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Number of items: 415.
Article
Acosta-Gutiérrez, S;
Bodrenko, IV;
Ceccarelli, M;
(2021)
The Influence of Permeability through Bacterial Porins in Whole-Cell Compound Accumulation.
Antibiotics (Basel)
, 10
(6)
, Article 635. 10.3390/antibiotics10060635.
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Aina, AA;
Misquitta, AJ;
Price, SL;
(2021)
A non-empirical intermolecular force-field for trinitrobenzene and its application in crystal structure prediction.
The Journal of Chemical Physics
, 154
(9)
, Article 094123. 10.1063/5.0043746.
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Allison, AL;
Ambrose-Dempster, E;
Bawn, M;
Casas Arredondo, M;
Chau, C;
Chandler, K;
Dobrijevic, D;
... Ward, JM; + view all
(2021)
The impact and effectiveness of the general public wearing masks to reduce the spread of pandemics in the UK: a multidisciplinary comparison of single-use masks versus reusable face masks.
UCL Open Environment
, 3
, Article 1. 10.14324/111.444/ucloe.000022.
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Alotaibi, AM;
Promdet, P;
Hwang, GB;
Li, J;
Nair, SP;
Sathasivam, S;
Kafizas, A;
... Parkin, IP; + view all
(2021)
Zn and N Codoped TiO2 Thin Films: Photocatalytic and Bactericidal Activity.
ACS Applied Materials and Interfaces
, 13
(8)
pp. 10480-10489.
10.1021/acsami.1c00304.
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Amon, A;
Sener, ME;
Rosu-Finsen, A;
Hannon, AC;
Slater, B;
Salzmann, CG;
(2021)
Preparation and Structure of the Ion-Conducting Mixed Molecular Glass Ga2I3.17.
Inorganic Chemistry
10.1021/acs.inorgchem.1c00049.
(In press).
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Anderson, JC;
Bouvier-Israel, E;
Rundell, CD;
Zhang, X;
(2021)
Asymmetric synthesis of piperidines using the nitro-Mannich reaction.
Tetrahedron
, 78
, Article 131821. 10.1016/j.tet.2020.131821.
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Arhangelskis, M;
Bučar, D-K;
Bordignon, S;
Chierotti, MR;
Stratford, SA;
Voinovich, D;
Jones, W;
(2021)
Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens.
Chemical Science
10.1039/d0sc05071g.
(In press).
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Arulkumaran, N;
Lanphere, C;
Gaupp, C;
Burns, JR;
Singer, M;
Howorka, S;
(2021)
DNA Nanodevices with Selective Immune Cell Interaction and Function.
ACS Nano
, 15
(3)
pp. 4394-4404.
10.1021/acsnano.0c07915.
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Ashton, TE;
Baker, PJ;
Sotelo-Vazquez, C;
Footer, CJM;
Kojima, KM;
Matsukawa, T;
Kamiyama, T;
(2021)
Stoichiometrically driven disorder and local diffusion in NMC cathodes.
Journal of Materials Chemistry A
, 9
(16)
pp. 10477-10486.
10.1039/d1ta01639c.
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Bahou, C;
Szijj, PA;
Spears, RJ;
Wall, A;
Javaid, F;
Sattikar, A;
Love, EA;
... Chudasama, V; + view all
(2021)
A Plug-and-Play Platform for the Formation of Trifunctional Cysteine Bioconjugates that also Offers Control over Thiol Cleavability.
Bioconjugate Chemistry
10.1021/acs.bioconjchem.1c00057.
(In press).
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Bai, Y;
Wilbraham, L;
Gao, H;
Clowes, R;
Yang, H;
Zwijnenburg, MA;
Cooper, AI;
(2021)
Photocatalytic polymers of intrinsic microporosity for hydrogen production from water.
Journal of Materials Chemistry A
10.1039/D1TA03098A.
(In press).
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Barnes, NG;
Ahmed Mal Ullah, AA;
Ragazzon, PA;
Charafi, N;
Hadfield, JA;
(2021)
Syntheses of Combretastatin A‐4 and Related Stilbenes by Using Aqueous Conditions.
ChemistrySelect
, 6
(28)
pp. 7082-7086.
10.1002/slct.202101960.
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Barnes, NG;
Nyandoro, K;
Jin, H;
Macmillan, D;
(2021)
Rapid access to Asp/Glu sidechain hydrazides as thioester precursors for peptide cyclization and glycosylation.
Chemical Communications
10.1039/D0CC07404G.
(In press).
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Bashian, NH;
Zuba, M;
Irshad, A;
Becwar, SM;
Vinckeviciute, J;
Rahim, W;
Griffith, KJ;
... Melot, BC; + view all
(2021)
Electrochemical Oxidative Fluorination of an Oxide Perovskite.
Chemistry of Materials
, 33
(14)
pp. 5757-5768.
10.1021/acs.chemmater.1c01594.
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Beale, AM;
Omori, N;
Candeo, A;
Mosca, S;
Lezcano-Gonzalez, I;
Robinson, IK;
Li, L;
... Collier, P; + view all
(2021)
Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ-13 Crystals.
Angewandte Chemie: International Edition
, 60
(10)
pp. 5125-5131.
10.1002/anie.202015016.
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Bhartiya, Archana;
Batey, Darren;
Cipiccia, Silvia;
Shi, Xiaowen;
Rau, Christoph;
Botchway, Stanley;
Yusuf, Mohammed;
(2021)
Correction to: X-ray ptychography imaging of human chromosomes after low-dose irradiation.
[Corrigendum].
Chromosome Research
, 29
(3-4)
pp. 419-420.
10.1007/s10577-021-09668-z.
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Bhartiya, A;
Batey, D;
Cipiccia, S;
Shi, X;
Rau, C;
Botchway, S;
Yusuf, M;
(2021)
X-ray Ptychography Imaging of Human Chromosomes After Low-dose Irradiation.
Chromosome Research
, 29
pp. 107-126.
10.1007/s10577-021-09660-7.
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Bhartiya, A;
Robinson, I;
Yusuf, M;
Botchway, SW;
(2021)
Combining Multicolor FISH with Fluorescence Lifetime Imaging for Chromosomal Identification and Chromosomal Sub Structure Investigation.
Frontiers in Molecular Biosciences
, 8
, Article 631774. 10.3389/fmolb.2021.631774.
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Bhati, Agastya P;
Goyal, S;
Yadav, Ram;
Sathyamurthy, N;
(2021)
Pattern formation in Passiflora incarnata: An activator-inhibitor model.
Journal of Biosciences
, 46
(3)
, Article 84. 10.1007/s12038-021-00202-1.
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Bhati, AP;
Wan, S;
Alfè, D;
Clyde, AR;
Bode, M;
Tan, L;
Titov, M;
... Coveney, PV; + view all
(2021)
Pandemic Drugs at Pandemic Speed: Infrastructure for Accelerating COVID-19 Drug Discovery with Hybrid Machine Learning- and Physics-based Simulations on High Performance Computers.
Interface Focus
, 11
(6)
, Article 20210018. 10.1098/rsfs.2021.0018.
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Bhide, MA;
Manzi, JA;
Knapp, CE;
Carmalt, CJ;
(2021)
Synthetic and Structural Studies of Ethyl Zinc β-Amidoenoates and β-Ketoiminates.
Molecules
, 26
(11)
, Article 3165. 10.3390/molecules26113165.
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Bhide, MA;
Mears, KL;
Carmalt, CJ;
Knapp, CE;
(2021)
Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides.
Chemical Science
10.1039/d1sc01846a.
(In press).
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Bieniek, MK;
Bhati, AP;
Wan, S;
Coveney, PV;
(2021)
TIES 20: Relative Binding Free Energy with a Flexible Superimposition Algorithm and Partial Ring Morphing.
Journal of Chemical Theory and Computation
10.1021/acs.jctc.0c01179.
(In press).
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Blackman, C;
(2021)
Do We Need "Ionosorbed" Oxygen Species? (Or, "A Surface Conductivity Model of Gas Sensitivity in Metal Oxides Based on Variable Surface Oxygen Vacancy Concentration").
ACS Sensors
, 6
(10)
pp. 3509-3516.
10.1021/acssensors.1c01727.
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Bofinger, R;
Weitsman, G;
Evans, R;
Glaser, M;
Sander, K;
Allan, H;
Hochhauser, D;
... Tabor, AB; + view all
(2021)
Drug delivery, biodistribution and anti-EGFR activity: theragnostic nanoparticles for simultaneous in vivo delivery of tyrosine kinase inhibitors and kinase activity biosensors.
Nanoscale
10.1039/d1nr02770k.
(In press).
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Booth, SG;
Nedoma, AJ;
Anthonisamy, NN;
Baker, PJ;
Boston, R;
Bronstein, H;
Clarke, SJ;
... Cussen, SA; + view all
(2021)
Perspectives for next generation lithium-ion battery cathode materials.
APL Materials
, 9
(10)
, Article 109201. 10.1063/5.0051092.
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Bosse, L;
Mant, BP;
Schleier, D;
Gerlach, M;
Fischer, I;
Krueger, A;
Hemberger, P;
(2021)
Threshold Photoelectron Spectrum of Cyclobutadiene: Comparison with Time-Dependent Wavepacket Simulations.
Journal of Physical Chemistry Letters
, 12
(29)
pp. 6901-6906.
10.1021/acs.jpclett.1c01848.
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Brlec, K;
Davies, D;
Scanlon, D;
(2021)
Surfaxe: Systematic surface calculations.
Journal of Open Source Software
, 6
(61)
, Article 3171. 10.21105/joss.03171.
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Burns, JR;
(2021)
Introducing Bacteria and Synthetic Biomolecules along Engineered DNA Fibers.
Small
, 17
(25)
, Article 2100136. 10.1002/smll.202100136.
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Büschges, MI;
Hoffmann, RC;
Regoutz, A;
Schlueter, C;
Schneider, JJ;
(2021)
Atomic Layer Deposition of Ternary Indium/Tin/Aluminum Oxide Thin Films, their characterization and Transistor Performance under Illumination.
Chemistry
, 27
(38)
pp. 9791-9800.
10.1002/chem.202101126.
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Byrne, C;
Zahra, KM;
Dhaliwal, S;
Grinter, DC;
Roy, K;
Garzon, WQ;
Held, G;
... Walton, A; + view all
(2021)
A Combined Laboratory and Synchrotron In-Situ Photoemission Study of the Rutile TiO2 (110) / Water Interface.
Journal of Physics D: Applied Physics
10.1088/1361-6463/abddfb.
(In press).
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Caltagirone, C;
Draper, ER;
Hardie, MJ;
Haynes, CJE;
Hiscock, JR;
Jolliffe, KA;
Kieffer, M;
... Leigh, JS; + view all
(2021)
An Area‐Specific, International Community‐Led Approach to Understanding and Addressing Equality, Diversity, and Inclusion Issues within Supramolecular Chemistry.
Angewandte Chemie: International Edition
10.1002/anie.202015297.
(In press).
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Cárdenas-Fernández, M;
Subrizi, F;
Dobrijevic, D;
Hailes, HC;
Ward, JM;
(2021)
Characterisation of a hyperthermophilic transketolase from Thermotoga maritima DSM3109 as a biocatalyst for 7-keto-octuronic acid synthesis.
Organic & Biomolecular Chemistry
10.1039/d1ob01237a.
(In press).
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Carter, EM;
Subrizi, F;
Ward, JM;
Sheppard, TD;
Hailes, HC;
(2021)
Direct Conversion of Hydrazones to Amines using Transaminases.
ChemCatChem
10.1002/cctc.202101008.
(In press).
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Caruana, D;
(2021)
From books to batteries.
Nature Physics
, 17
p. 1278.
10.1038/s41567-021-01405-x.
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Catlow, CRA;
(2021)
Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects.
Faraday Discuss
10.1039/d1fd00027f.
(In press).
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Chadwick, A;
Catlow, CRA;
(2021)
A tribute to the scientific career of Neville Greaves: the Daresbury years.
Journal of Physics: Condensed Matter
, 33
(32)
, Article 320401. 10.1088/1361-648X/ac02e2.
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Chandrabose, G;
Dey, A;
Gaur, SS;
Pitchaimuthu, S;
Jagadeesan, H;
Braithwaite, NSJ;
Selvaraj, V;
... Krishnamurthy, S; + view all
(2021)
Removal and degradation of mixed dye pollutants by integrated adsorption-photocatalysis technique using 2-D MoS2/TiO2 nanocomposite.
Chemosphere
, 279
, Article 130467. 10.1016/j.chemosphere.2021.130467.
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Chang, Fuqiang;
Ouhajji, Samia;
Townsend, Alice;
Sanogo Lacina, Kanvaly;
van Ravensteijn, Bas GP;
Kegel, Willem K;
(2021)
Controllable synthesis of patchy particles with tunable geometry and orthogonal chemistry.
Journal of Colloid and Interface Science
, 582
(Part A)
pp. 333-341.
10.1016/j.jcis.2020.08.038.
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Chang, Fuqiang;
Vis, Carolien M;
Bergmeijer, Menno;
Howes, Stuart C;
Bruijnincx, Pieter CA;
(2021)
Bifunctional Janus Silica Spheres for Pickering Interfacial Tandem Catalysis.
ChemSusChem
, 14
(23)
pp. 5328-5335.
10.1002/cssc.202101238.
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Chang, Fuqiang;
Vis, Carolien M;
Ciptonugroho, Wirawan;
Bruijnincx, Pieter CA;
(2021)
Recent developments in catalysis with Pickering Emulsions.
Green Chemistry
, 23
(7)
pp. 2575-2594.
10.1039/d0gc03604h.
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Chen, S;
Rowland, S;
Carr, J;
Storm, M;
Choy, K-L;
Clancy, AJ;
(2021)
The importance of particle dispersion in electrical treeing and breakdown in nano-filled epoxy resin.
International Journal of Electrical Power & Energy Systems
, 129
, Article 106838. 10.1016/j.ijepes.2021.106838.
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Chen, Y;
Hao, H;
Lu, X;
Li, W;
He, G;
Shen, W;
Shearing, PR;
(2021)
Porous 3D graphene aerogel co-doped with nitrogen and sulfur for high-performance supercapacitors.
Nanotechnology
, 32
(19)
, Article 195405. 10.1088/1361-6528/abdf8d.
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Cherkasov, N;
Murzin, DY;
Catlow, CRA;
Chutia, A;
(2021)
Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study.
Catalysis Science & Technology
10.1039/d1cy01016f.
(In press).
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Choi, Y-S;
Scanlon, DO;
Lee, J-C;
(2021)
Extending the Performance Limit of Anodes: Insights from Diffusion Kinetics of Alloying Anodes.
Advanced Energy Materials
, 11
(27)
10.1002/aenm.202003078.
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Christopoulou, G;
Freibert, A;
Worth, GA;
(2021)
Improved algorithm for the direct dynamics variational multi-configurational Gaussian method.
Journal of Chemical Physics
, 154
(12)
, Article 124127. 10.1063/5.0043720.
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Christopoulou, G;
Tran, T;
Worth, GA;
(2021)
Direct nonadiabatic quantum dynamics simulations of the photodissociation of phenol.
Physical Chemistry Chemical Physics
10.1039/d1cp01843d.
(In press).
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Cignoni, E;
Lapillo, M;
Cupellini, L;
Acosta-Gutiérrez, S;
Gervasio, FL;
Mennucci, B;
(2021)
A different perspective for nonphotochemical quenching in plant antenna complexes.
Nature Communications
, 12
(1)
, Article 7152. 10.1038/s41467-021-27526-8.
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Clancy, AJ;
Suter, TM;
Taylor, A;
Bhattacharya, S;
Miller, TS;
Brázdová, V;
Aliev, AE;
... McMillan, PF; + view all
(2021)
Understanding spontaneous dissolution of crystalline layered carbon nitride for tuneable photoluminescent solutions and glasses.
Journal of Materials Chemistry A
, 9
(4)
pp. 2175-2183.
10.1039/d0ta11070a.
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Clark, AH;
Marchbank, HR;
Thompsett, D;
Fisher, JM;
Longo, A;
Beyer, KA;
Hyde, T;
(2021)
On the effect of metal loading on the reducibility and redox chemistry of ceria supported Pd catalysts.
Physical Chemistry Chemical Physics
10.1039/d1cp04654c.
(In press).
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Clent, BA;
Wang, Y;
Britton, HC;
Otto, F;
Swain, CJ;
Todd, MH;
Wilden, JD;
(2021)
Molecular Docking with Open Access Software: Development of an Online Laboratory Handbook and Remote Workflow for Chemistry and Pharmacy Master's Students to Undertake Computer-Aided Drug Design.
Journal of Chemical Education
, 98
(9)
pp. 2899-2905.
10.1021/acs.jchemed.1c00289.
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Coates, CS;
Baise, M;
Schmutzler, A;
Simonov, A;
Makepeace, JW;
Seel, AG;
Smith, RI;
... Goodwin, AL; + view all
(2021)
Spin-ice physics in cadmium cyanide.
Nature Communications
, 12
(1)
, Article 2272. 10.1038/s41467-021-22515-3.
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Colville, BWF;
Powner, MW;
(2021)
Selective Prebiotic Synthesis of α‐Threofuranosyl Cytidine by Photochemical Anomerization.
Angewandte Chemie
, 133
(19)
pp. 10620-10624.
10.1002/ange.202101376.
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Commandeur, D;
Sabado, C;
Ashton, TE;
Darr, JA;
(2021)
Combinatorial Performance Mapping of Near-NMC111 Li-ion Cathodes.
Journal of Materiomics
10.1016/j.jmat.2021.07.003.
(In press).
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Conboy, D;
Kielty, P;
Bear, JC;
Cockcroft, JK;
Farràs, P;
McArdle, P;
Singer, RJ;
... Aldabbagh, F; + view all
(2021)
Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.
Organic & Biomolecular Chemistry
10.1039/d1ob00032b.
(In press).
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Cooper, GA;
Alavi, ST;
Li, W;
Lee, SK;
Suits, AG;
(2021)
Coulomb Explosion Dynamics of Chlorocarbonylsulfenyl Chloride.
Journal of Physical Chemistry A
, 125
(25)
pp. 5481-5489.
10.1021/acs.jpca.1c02332.
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Costa, SIR;
Choi, Y-S;
Fielding, AJ;
Naylor, AJ;
Griffin, JM;
Sofer, Z;
Scanlon, DO;
(2021)
Surface Engineering Strategy Using Urea To Improve the Rate Performance of Na2Ti3O7 in Na‐Ion Batteries.
Chemistry
10.1002/chem.202003129.
(In press).
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Coveney, PV;
Groen, D;
Hoekstra, AG;
(2021)
Reliability and reproducibility in computational science: implementing validation, verification and uncertainty quantification in silico.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
, 379
(2197)
, Article 20200409. 10.1098/rsta.2020.0409.
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Coveney, PV;
Highfield, RR;
(2021)
When we can trust computers (and when we can't).
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
, 379
(2197)
, Article 20200067. 10.1098/rsta.2020.0067.
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Cui, F;
Zhang, Y;
Fonseka, HA;
Promdet, P;
Channa, AI;
Wang, M;
Xia, X;
... Liu, H; + view all
(2021)
Robust Protection of III-V Nanowires in Water Splitting by a Thin Compact TiO2 Layer.
ACS Applied Materials & Interfaces
10.1021/acsami.1c03903.
(In press).
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Da Ros, S;
Aliev, AE;
Del Gaudio, I;
King, R;
Pokorska, A;
Kearney, M;
Curran, K;
(2021)
Characterising plasticised cellulose acetate-based historic artefacts by NMR spectroscopy: a new approach for quantifying the degree of substitution and diethyl phthalate contents.
Polymer Degradation and Stability
, 183
, Article 109420. 10.1016/j.polymdegradstab.2020.109420.
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Dagdeviren, OE;
Glass, D;
Sapienza, R;
Cortés, E;
Maier, SA;
Parkin, IP;
Grütter, P;
(2021)
The Effect of Photoinduced Surface Oxygen Vacancies on the Charge Carrier Dynamics in TiO₂ Films.
Nano Letters
, 21
(19)
pp. 8348-8354.
10.1021/acs.nanolett.1c02853.
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Daley, T;
Opuni, K;
Raj, E;
Dent, AJ;
Cibin, G;
Hyde, TI;
Sankar, G;
(2021)
Monitoring the process of formation of ZnO from ZnO2 using in situ combined XRD/XAS technique.
Journal of Physics: Condensed Matter
10.1088/1361-648X/abfb91.
(In press).
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Daskalakis, S;
Wang, M;
Carmalt, CJ;
Vernardou, D;
(2021)
Electrochemical Investigation of Phenethylammonium Bismuth Iodide as Anode in Aqueous Zn2+ Electrolytes.
Nanomaterials
, 11
(3)
, Article 656. 10.3390/nano11030656.
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Davies, G;
Driver, J;
Ward, A;
Negahdar, L;
McGregor, J;
(2021)
Operando Studies of Aerosol-Assisted Sol–Gel Catalyst Synthesis via Combined Optical Trapping and Raman Spectroscopy.
The Journal of Physical Chemistry C
, 125
(41)
pp. 22591-22602.
10.1021/acs.jpcc.1c07517.
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Decarolis, D;
Clark, AH;
Pellegrinelli, T;
Nachtegaal, M;
Lynch, EW;
Catlow, CRA;
Gibson, EK;
... Wells, PP; + view all
(2021)
Spatial Profiling of a Pd/Al2O3 Catalyst during Selective Ammonia Oxidation.
ACS Catalysis
pp. 2141-2149.
10.1021/acscatal.0c05356.
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Dedman, CJ;
King, AM;
Christie-Oleza, JA;
Davies, G-L;
(2021)
Environmentally relevant concentrations of titanium dioxide nanoparticles pose negligible risk to marine microbes.
Environmental Science: Nano
10.1039/d0en00883d.
(In press).
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Dedman, CJ;
Rizk, MMI;
Christie-Oleza, JA;
Davies, GL;
(2021)
Investigating the Impact of Cerium Oxide Nanoparticles Upon the Ecologically Significant Marine Cyanobacterium Prochlorococcus.
Frontiers in Marine Science
, 8
, Article 668097. 10.3389/fmars.2021.668097.
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Delarmelina, M;
Deshmukh, G;
Goguet, A;
Catlow, CRA;
Manyar, H;
(2021)
Role of Sulfation of Zirconia Catalysts in Vapor Phase Ketonization of Acetic Acid.
Journal of Physical Chemistry C
, 125
(50)
pp. 27578-27595.
10.1021/acs.jpcc.1c06920.
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Dey, A;
Chandrabose, G;
Ghosh, P;
Damptey, LAO;
Clark, AH;
Selvaraj, V;
Kumar, RV;
... Krishnamurthy, S; + view all
(2021)
Atmospheric pressure plasma engineered superhydrophilic CuO surfaces with enhanced catalytic activities.
Applied Surface Science
, 564
, Article 150413. 10.1016/j.apsusc.2021.150413.
|
|
Dey, S;
Attar, S;
Manley, EF;
Moncho, S;
Brothers, EN;
Bazzi, HS;
Bronstein, H;
... Al-Hashimi, M; + view all
(2021)
Transition-Metal-Free Homopolymerization of Pyrrolo[2,3-d:5,4-d′]bisthiazoles via Nucleophilic Aromatic Substitution.
ACS Applied Materials & Interfaces
, 13
(34)
pp. 41094-41101.
10.1021/acsami.1c10858.
|
|
Dey, A;
Ghosh, P;
Chandrabose, G;
Damptey, LAO;
Kuganathan, N;
Sainio, S;
Nordlund, D;
... Krishnamurthy, S; + view all
(2021)
Ultrafast epitaxial growth of CuO nanowires using atmospheric pressure plasma with enhanced electrocatalytic and photocatalytic activities.
Nano Select
10.1002/nano.202100191.
(In press).
|
|
|
Dey, N;
Haynes, CJE;
(2021)
Supramolecular Coordination Complexes as Optical Biosensors.
Chempluschem
, 86
(3)
pp. 418-433.
10.1002/cplu.202100004.
|
|
|
Di Maiolo, F;
Worth, GA;
Burghardt, I;
(2021)
Multi-layer Gaussian-based multi-configuration time-dependent Hartree (ML-GMCTDH) simulations of ultrafast charge separation in a donor–acceptor complex.
The Journal of Chemical Physics
, 154
(14)
, Article 144106. 10.1063/5.0046933.
|
|
|
Diederichs, T;
Ahmad, K;
Burns, JR;
Nguyen, QH;
Siwy, ZS;
Tornow, M;
Coveney, PV;
... Howorka, S; + view all
(2021)
Principles of Small-Molecule Transport through Synthetic Nanopores.
ACS Nano
, 15
(10)
pp. 16194-16206.
10.1021/acsnano.1c05139.
|
|
DiLecce, D;
Marangon, V;
Isaacs, M;
Palgrave, R;
Shearing, PR;
Hassoun, J;
(2021)
Degradation of Layered Oxide Cathode in a Sodium Battery: A Detailed Investigation by X-Ray Tomography at the Nanoscale.
Small Methods
, Article 2100596. 10.1002/smtd.202100596.
(In press).
|
|
|
Ding, S;
Ganesh, M;
Jiao, Y;
Ou, X;
Isaacs, MA;
S'ari, M;
Torres Lopez, A;
... Parlett, CMA; + view all
(2021)
Palladium-doped hierarchical ZSM-5 for catalytic selective oxidation of allylic and benzylic alcohols.
Royal Society Open Science
, 8
(10)
, Article 211086. 10.1098/rsos.211086.
|
|
|
Dong, H;
Li, J;
Guo, J;
Lai, F;
Zhao, F;
Jiao, Y;
Brett, DJL;
... Parkin, IP; + view all
(2021)
Insights on Flexible Zinc-Ion Batteries from Lab Research to Commercialization.
Advanced Materials
, 33
, Article 20. 10.1002/adma.202007548.
|
|
|
Dong, Y;
Su, P;
He, G;
Zhao, H;
Bai, Y;
(2021)
Constructing compatible interface between Li7La3Zr2O12 solid electrolyte and LiCoO2 cathode for stable cycling performances at 4.5 V.
Nanoscale
, 13
(16)
pp. 7822-7830.
10.1039/d1nr01079d.
|
|
Dong, Y;
Zhu, Z;
Hu, Y;
He, G;
Sun, Y;
Cheng, Q;
Parkin, IP;
(2021)
Supersaturated bridge-sulfur and vanadium co-doped MoS₂ nanosheet arrays with enhanced sodium storage capability.
Nano Research
, 14
pp. 74-80.
10.1007/s12274-020-3044-x.
|
|
Dong, H;
Butler, KT;
Matras, D;
Price, SWT;
Odarchenko, Y;
Khatry, R;
Thompson, A;
... Vamvakeros, A; + view all
(2021)
A deep convolutional neural network for real-time full profile analysis of big powder diffraction data.
npj Computational Materials
, 7
(1)
, Article 74. 10.1038/s41524-021-00542-4.
|
|
|
Douglas, SP;
Mrig, S;
Knapp, CE;
(2021)
MODs vs. NPs: Vying for the Future of Printed Electronics.
Chemistry – A European Journal
10.1002/chem.202004860.
(In press).
|
|
|
Duro-Castano, A;
Rodríguez-Arco, L;
Ruiz-Pérez, L;
De Pace, C;
Marchello, G;
Noble-Jesus, C;
Battaglia, G;
(2021)
One-Pot Synthesis of Oxidation-Sensitive Supramolecular Gels and Vesicles.
Biomacromolecules
10.1021/acs.biomac.1c01039.
|
|
|
Edeling, W;
Arabnejad, H;
Sinclair, R;
Suleimenova, D;
Gopalakrishnan, K;
Bosak, B;
Groen, D;
... Coveney, PV; + view all
(2021)
The impact of uncertainty on predictions of the CovidSim epidemiological code.
Nature Computational Science
, 1
(2)
pp. 128-135.
10.1038/s43588-021-00028-9.
|
|
Ellis-Gibbings, L;
Fortune, W;
Cooper, B;
Tennyson, J;
Price, S;
(2021)
Ionisation of PF3: absolute partial electron ionisation cross sections and the formation and reactivity of dication states.
Physical Chemistry Chemical Physics
10.1039/D1CP01328A.
(In press).
|
|
|
Eom, W;
Lee, E;
Lee, SH;
Sung, TH;
Clancy, AJ;
Lee, WJ;
Han, TH;
(2021)
Carbon nanotube-reduced graphene oxide fiber with high torsional strength from rheological hierarchy control.
Nature Communications
, 12
(1)
, Article 396. 10.1038/s41467-020-20518-0.
(In press).
|
|
|
Escher, SGET;
Duncan, HD;
Sokol, AA;
Woodley, SM;
(2021)
Approaching Bulk from the Nanoscale: Extrapolation of Binding Energy from Rock-Salt Cuts of Alkaline Earth Metal Oxides.
South African Journal of Chemistry
, 74
pp. 23-29.
10.17159/0379-4350/2021/v74a5.
|
|
|
Fallon, KJ;
Wijeyasinghe, N;
Leventis, A;
Marin-Beloqui, JM;
Toolan, DTW;
Al-Hashimi, M;
Clarke, TM;
... Bronstein, H; + view all
(2021)
Tyrian purple: an ancient natural dye for cross-conjugated n-type charge transport.
Journal of Materials Chemistry C
, 9
(12)
pp. 4200-4205.
10.1039/d0tc05553k.
|
|
|
Fang, G;
Wang, Q;
Zhang, M;
(2021)
Micromechanical analysis of interfacial transition zone in alkali-activated fly ash-slag concrete.
Cement and Concrete Composites
, 119
, Article 103990. 10.1016/j.cemconcomp.2021.103990.
|
|
Fang, Zhaoda;
Tian, Shouqin;
Li, Bin;
Liu, Qiufen;
Liu, Baoshun;
Zhao, Xiujian;
Sankar, Gopinathan;
(2021)
VO₂/ZnO bilayer films with enhanced thermochromic property and durability for smart windows.
Applied Surface Science
, 540
(2)
, Article 148414. 10.1016/j.apsusc.2020.148414.
|
|
Farleigh, M;
Pham, TT;
Yu, Z;
Kim, J;
Sunassee, K;
Firth, G;
Forte, N;
... Ma, MT; + view all
(2021)
New Bifunctional Chelators Incorporating Dibromomaleimide Groups for Radiolabeling of Antibodies with Positron Emission Tomography Imaging Radioisotopes.
Bioconjugate Chemistry
, 32
(7)
pp. 1214-1222.
10.1021/acs.bioconjchem.0c00710.
|
|
Fernando, NK;
Cairns, AB;
Murray, CA;
Thompson, AL;
Dickerson, JL;
Garman, EF;
Ahmed, N;
... Regoutz, A; + view all
(2021)
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]₂ Catalysts.
The Journal of Physical Chemistry A
, 125
(34)
pp. 7473-7488.
10.1021/acs.jpca.1c05759.
|
|
Ferraz, BJ;
Li, B;
Guo, Z;
Blackman, C;
Liu, Z;
(2021)
Developing N-Rich Carbon from C₃N₄-Polydopamine Composites for Efficient Oxygen Reduction Reaction.
ChemElectroChem
, 8
(20)
pp. 3954-3961.
10.1002/celc.202100865.
|
|
Foglia, F;
Lyonnard, S;
Garcia Sakai, V;
Berrod, Q;
Zanotti, J-M;
Gebel, G;
Clancy, A;
(2021)
Progress in neutron techniques: towards improved polymer electrolyte membranes for energy devices.
Journal of Physics: Condensed Matter
, 33
(26)
, Article 264005. 10.1088/1361-648X/abfc10.
|
|
Forth, J;
Mariano, A;
Chai, Y;
Toor, A;
Hasnain, J;
Jiang, Y;
Feng, W;
... Russell, TP; + view all
(2021)
The Buckling Spectra of Nanoparticle Surfactant Assemblies.
Nano Letters
, 21
(17)
pp. 7116-7122.
10.1021/acs.nanolett.1c01454.
|
|
Fowles, DJ;
Palmer, DS;
Guo, R;
Price, SL;
Mitchell, JBO;
(2021)
Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics.
Journal of Chemical Theory and Computation
10.1021/acs.jctc.1c00130.
(In press).
|
|
|
Francia, NF;
Price, LS;
Salvalaglio, M;
(2021)
Reducing crystal structure overprediction of ibuprofen with large scale molecular dynamics simulations.
CrystEngComm
, 23
pp. 5575-5584.
10.1039/d1ce00616a.
|
|
|
Fu, Z;
Vogel, A;
Zwijnenburg, MA;
Cooper, AI;
Sprick, RS;
(2021)
Photocatalytic syngas production using conjugated organic polymers.
Journal of Materials Chemistry A
10.1039/d0ta09613j.
(In press).
|
|
|
Gaifulina, R;
Nunn, ADG;
Draper, ERC;
Strachan, RK;
Blake, N;
Firth, S;
Thomas, GMH;
... Dudhia, J; + view all
(2021)
Intra-operative Raman spectroscopy and ex vivo Raman mapping for assessment of cartilage degradation.
Clinical Spectroscopy
, 3
, Article 100012. 10.1016/j.clispe.2021.100012.
|
|
Galdadas, I;
Carlino, L;
Ward, RA;
Hughes, SJ;
Haider, S;
Gervasio, FL;
(2021)
Structural basis of the effect of activating mutations on the EGF receptor.
eLife
, 10
, Article e65824. 10.7554/eLife.65824.
|
|
|
Galdadas, I;
Qu, S;
Oliveira, ASF;
Olehnovics, E;
Mack, AR;
Mojica, MF;
Agarwal, PK;
... Haider, S; + view all
(2021)
Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics.
eLife
, 10
10.7554/eLife.66567.
(In press).
|
|
|
Galovic, M;
Erlandsson, K;
Fryer, TD;
Hong, YT;
Manavaki, R;
Sari, H;
Chetcuti, S;
... NEST investigators; + view all
(2021)
Validation of a combined image derived input function and venous sampling approach for the quantification of [18F]GE-179 PET binding in the brain.
NeuroImage
, 237
, Article 118194. 10.1016/j.neuroimage.2021.118194.
(In press).
|
|
|
Gavriel, Alexander G;
Leroux, Flavien;
Khurana, Gurjeet S;
Lewis, Viliyana G;
Chippindale, Ann M;
Sambrook, Mark R;
Hayes, Wayne;
(2021)
Self-Immolative System for Disclosure of Reactive Electrophilic Alkylating Agents: Understanding the Role of the Reporter Group.
The Journal of Organic Chemistry
, 86
(15)
pp. 10263-10279.
10.1021/acs.joc.1c00996.
|
|
Gentili, A;
Volpe, G;
(2021)
Characterization of anomalous diffusion classical statistics powered by deep learning (CONDOR).
Journal of Physics A: Mathematical and Theoretical
, 54
(31)
, Article 314003. 10.1088/1751-8121/ac0c5d.
|
|
Gheorghiu, A;
Coveney, PV;
Arabi, AA;
(2021)
The influence of external electric fields on proton transfer tautomerism in the guanine-cytosine base pair.
Physical Chemistry Chemical Physics
, 23
(10)
pp. 6252-6265.
10.1039/d0cp06218a.
|
|
|
Gibson, QD;
Zhao, T;
Daniels, LM;
Walker, HC;
Daou, R;
Hébert, S;
Zanella, M;
... Rosseinsky, MJ; + view all
(2021)
Low thermal conductivity in a modular inorganic material with bonding anisotropy and mismatch.
Science
, Article eabh1619. 10.1126/science.abh1619.
(In press).
|
|
|
Glass, D;
Quesada-Cabrera, R;
Bardey, S;
Promdet, P;
Sapienza, R;
Keller, V;
Maier, SA;
... Cortés, E; + view all
(2021)
Probing the Role of Atomic Defects in Photocatalytic Systems through Photoinduced Enhanced Raman Scattering.
ACS Energy Letters
, 6
pp. 4273-4281.
10.1021/acsenergylett.1c01772.
(In press).
|
|
|
Gómez, S;
Soysal, EN;
Worth, GA;
(2021)
Micro-solvated DMABN: Excited state quantum dynamics and dual fluorescence spectra.
Molecules
, 26
(23)
, Article 7247. 10.3390/molecules26237247.
|
|
|
Greer, AJ;
Taylor, SFR;
Daly, H;
Quesne, MG;
de Leeuw, NH;
Catlow, CRA;
Jacquemin, J;
(2021)
Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid.
ACS Sustainable Chemistry & Engineering
, 9
(22)
pp. 7578-7586.
10.1021/acssuschemeng.1c01451.
|
|
|
Grinter, DC;
Allan, M;
Yang, HJ;
Salcedo, A;
Murgida, GE;
Shaw, B;
Pang, CL;
... Thornton, G; + view all
(2021)
Ce=O Terminated CeO 2.
Angewandte Chemie
10.1002/ange.202101771.
(In press).
|
|
|
Grinter, DC;
Allan, M;
Yang, HJ;
Salcedo, A;
Murgida, GE;
Shaw, B-J;
Pang, CL;
... Thornton, G; + view all
(2021)
Ce=O Terminated CeO2.
Angewandte Chemie International Edition
10.1002/anie.202101771.
(In press).
|
|
|
Groen, D;
Arabnejad, H;
Jancauskas, V;
Edeling, WN;
Jansson, F;
Richardson, RA;
Lakhlili, J;
... Coveney, PV; + view all
(2021)
VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations.
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
, 379
(2197)
, Article 20200221. 10.1098/rsta.2020.0221.
|
|
|
Groeneman, RH;
Bučar, DK;
MacGillivray, LR;
Atwood, JL;
(2021)
Quasi self-inclusion of a 1-D coordination polymer within a 2-D hydrogen-bonded grid: a chaperone effect.
Journal of Coordination Chemistry
, 74
(1-3)
pp. 162-168.
10.1080/00958972.2021.1879383.
|
|
Guo, H;
Worth, G;
Domcke, W;
(2021)
Quantum dynamics with ab initio potentials.
Journal of Chemical Physics
, 155
, Article 080401. 10.1063/5.0066234.
|
|
Guo, J;
Kang, L;
Lu, X;
Zhao, S;
Li, J;
Shearing, PR;
Wang, R;
... Parkin, IP; + view all
(2021)
Self-activated cathode substrates in rechargeable zinc–air batteries.
Energy Storage Materials
, 35
pp. 530-537.
10.1016/j.ensm.2020.11.036.
|
|
Guo, X;
Zhang, Z;
Li, J;
Luo, N;
Chai, G-L;
Miller, TS;
Lai, F;
... Parkin, IP; + view all
(2021)
Alleviation of Dendrite Formation on Zinc Anodes via Electrolyte Additives.
ACS Energy Letters
, 6
pp. 395-403.
10.1021/acsenergylett.0c02371.
|
|
Guo, Z;
Pang, Y;
Xie, H;
He, G;
Parkin, IP;
Chai, G-L;
(2021)
Phosphorus-Doped CuCo₂O₄ Oxide with Partial Amorphous Phase as a Robust Electrocatalyst for the Oxygen Evolution Reaction.
ChemElectroChem
, 8
(1)
pp. 135-141.
10.1002/celc.202001312.
|
|
Guo, J;
Marin-Beloqui, JM;
Clarke, TM;
(2021)
Bimodal polarons as a function of morphology in high efficiency polymer/acceptor blends for organic photovoltaics.
Journal of Physics: Materials
, 4
(4)
, Article 044009. 10.1088/2515-7639/ac0fbc.
|
|
|
Hadi, MM;
Nesbitt, H;
Masood, H;
Sciscione, F;
Patel, S;
Ramesh, BS;
Emberton, M;
... Nomikou, N; + view all
(2021)
Investigating the performance of a novel pH and cathepsin B sensitive, stimulus-responsive nanoparticle for optimised sonodynamic therapy in prostate cancer.
Journal of Controlled Release
, 329
pp. 76-86.
10.1016/j.jconrel.2020.11.040.
|
|
|
Haque, M;
Forte, N;
Baker, JR;
(2021)
Site-selective lysine conjugation methods and applications towards antibody-drug conjugates.
Chemical Communications
10.1039/d1cc03976h.
(In press).
|
|
|
Hartley, P;
Egdell, RG;
Zhang, KHL;
Hohmann, MV;
Piper, LFJ;
Morgan, DJ;
Scanlon, DO;
... Regoutz, A; + view all
(2021)
Experimental and Theoretical Study of the Electronic Structures of Lanthanide Indium Perovskites LnInO₃.
The Journal of Physical Chemistry C
10.1021/acs.jpcc.0c11592.
(In press).
|
|
|
He, G;
Liu, Y;
Gray, DE;
Othon, J;
(2021)
Conductive polymer composites cathodes for rechargeable aqueous Zn-ion batteries: A mini-review.
Composites Communications
, 27
, Article 100882. 10.1016/j.coco.2021.100882.
|
|
He, S-A;
Cui, Z;
Liu, Q;
He, G;
Brett, DJL;
Luo, W;
Zou, R;
(2021)
Enhancing the Electrochemical Performance of Sodium-Ion Batteries by Building Optimized NiS2/NiSe2 Heterostructures.
Small
, 17
(45)
, Article 2104186. 10.1002/smll.202104186.
|
|
Heath-Apostolopoulos, I;
Vargas-Ortiz, D;
Wilbraham, L;
Jelfs, KE;
Zwijnenburg, MA;
(2021)
Using high-throughput virtual screening to explore the optoelectronic property space of organic dyes; finding diketopyrrolopyrrole dyes for dye-sensitized water splitting and solar cells.
Sustainable Energy & Fuels
, 5
(3)
pp. 704-719.
10.1039/d0se00985g.
|
|
Heijnen, SMF;
van Vliet, P;
Kuipers, BWM;
Philipse, AP;
Petukhov, A;
Ouhajji, S;
(2021)
Depletion-Induced Chiral Chain Formation of Magnetic Spheres.
Materials
, 14
(3)
, Article 507. 10.3390/ma14030507.
|
|
|
Heinrich, M;
Mah, J;
Amirkia, V;
(2021)
Alkaloids Used as Medicines: Structural Phytochemistry Meets Biodiversity—An Update and Forward Look.
Molecules
, 26
(7)
p. 1836.
10.3390/molecules26071836.
|
|
|
Hele, TJH;
Monserrat, B;
Alvertis, AM;
(2021)
Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size.
The Journal of Chemical Physics
, 154
(24)
, Article 244109. 10.1063/5.0052247.
|
|
Heo, KJ;
Jeong, SB;
Shin, J;
Hwang, GB;
Ko, HS;
Kim, Y;
Choi, DY;
(2021)
Water-Repellent TiO₂-Organic Dye-Based Air Filters for Efficient Visible-Light-Activated Photochemical Inactivation against Bioaerosols.
Nano Letters
, 21
(4)
pp. 1576-1583.
10.1021/acs.nanolett.0c03173.
|
|
Hobson, K;
Carmalt, CJ;
Bakewell, C;
(2021)
Aluminum Amidinates: Insights into Alkyne Hydroboration.
Inorganic Chemistry
10.1021/acs.inorgchem.1c00619.
(In press).
|
|
|
Hou, Q;
Buckeridge, J;
Walsh, A;
Xie, Z;
Lu, Y;
Keal, TW;
Guan, J;
... Sokol, AA; + view all
(2021)
The Interplay of Interstitial and Substitutional Copper in Zinc Oxide.
Frontiers in Chemistry
, 9
, Article 780935. 10.3389/fchem.2021.780935.
|
|
|
Huang, J;
Li, Y;
Xie, R;
Li, J;
Tian, Z;
Chai, G;
Zhang, Y;
... Brett, DJL; + view all
(2021)
Structural engineering of cathodes for improved Zn-ion batteries.
Journal of Energy Chemistry
, 58
pp. 147-155.
10.1016/j.jechem.2020.09.035.
|
|
Huang, L;
Li, W;
Zeng, M;
He, G;
Shearing, PR;
Parkin, IP;
Brett, DJL;
(2021)
Metal-Nitrogen-doped carbon single-atom electrocatalysts for CO2 electroreduction.
Composites Part B: Engineering
, 220
, Article 108986. 10.1016/j.compositesb.2021.108986.
|
|
Huang, F;
Karu, K;
Campos, LC;
(2021)
Simultaneous measurement of free and conjugated estrogens in surface water using capillary liquid chromatography tandem mass spectrometry.
The Analyst
10.1039/d0an02335c.
(In press).
|
|
|
Huang, Y-T;
Kavanagh, SR;
Scanlon, DO;
Walsh, A;
Hoye, RLZ;
(2021)
Perovskite-inspired materials for photovoltaics and beyond-from design to devices.
Nanotechnology
, 32
(13)
, Article 132004. 10.1088/1361-6528/abcf6d.
|
|
|
Huber, SP;
Bosoni, E;
Bercx, M;
Bröder, J;
Degomme, A;
Dikan, V;
Eimre, K;
... Pizzi, G; + view all
(2021)
Common workflows for computing material properties using different quantum engines.
npj Computational Materials
, 7
(1)
, Article 136. 10.1038/s41524-021-00594-6.
(In press).
|
|
|
Hudson, JM;
Hele, TJH;
Evans, EW;
(2021)
Efficient light-emitting diodes from organic radicals with doublet emission.
Journal of Applied Physics
, 129
, Article 180901. 10.1063/5.0047636.
|
|
|
Ilmjärv, S;
Abdul, F;
Acosta-Gutiérrez, S;
Estarellas, C;
Galdadas, I;
Casimir, M;
Alessandrini, M;
... Krause, K-H; + view all
(2021)
Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant.
Scientific Reports
, 11
(1)
, Article 13705. 10.1038/s41598-021-91662-w.
|
|
|
Imtiaz, S;
Amiinu, IS;
Xu, Y;
Kennedy, T;
Blackman, C;
Ryan, KM;
(2021)
Progress and perspectives on alloying-type anode materials for advanced potassium-ion batteries.
Materials Today
10.1016/j.mattod.2021.02.008.
(In press).
|
|
|
Iqbal, A;
Kafizas, A;
Sotelo-Vazquez, C;
Wilson, R;
Ling, M;
Taylor, A;
Blackman, C;
... Quesada-Cabrera, R; + view all
(2021)
Charge Transport Phenomena in Heterojunction Photocatalysts: The WO₃/TiO₂ System as an Archetypical Model.
ACS Applied Materials & Interfaces
, 13
(8)
pp. 9781-9793.
10.1021/acsami.0c19692.
|
|
Isaacs, MA;
Davies-Jones, J;
Davies, PR;
Guan, S;
Lee, R;
Morgan, DJ;
Palgrave, R;
(2021)
Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials.
Materials Chemistry Frontiers
10.1039/d1qm00969a.
(In press).
|
|
|
Islam, MJ;
Mesa, MG;
Osatiashtiani, A;
Manayil, JC;
Isaacs, MA;
Taylor, MJ;
Tsatsos, S;
(2021)
PdCu single atom alloys supported on alumina for the selective hydrogenation of furfural.
Applied Catalysis B: Environmental
, 299
, Article 120652. 10.1016/j.apcatb.2021.120652.
|
|
Jacquot, C;
Middelkoop, V;
Köckritz, A;
Pohar, A;
Bienert, R;
Kellici, S;
Bărăgău, I-A;
... Beale, AM; + view all
(2021)
3D printed catalytic reactors for aerobic selective oxidation of benzyl alcohol into benzaldehyde in continuous multiphase flow.
Sustainable Materials and Technologies
, 30
, Article e00329. 10.1016/j.susmat.2021.e00329.
|
|
Jaśkaniec, S;
Kavanagh, SR;
Coelho, J;
Ryan, S;
Hobbs, C;
Walsh, A;
Scanlon, DO;
(2021)
Solvent engineered synthesis of layered SnO for high-performance anodes.
npj 2D Materials and Applications
, 5
(1)
, Article 27. 10.1038/s41699-021-00208-1.
|
|
|
Javaid, F;
Pilotti, C;
Camilli, C;
Kallenberg, D;
Bahou, C;
Blackburn, J;
R. Baker, J;
... Chudasama, V; + view all
(2021)
Leucine-rich alpha-2-glycoprotein 1 (LRG1) as a novel ADC target.
RSC Chemical Biology
, 2
(4)
pp. 1206-1220.
10.1039/d1cb00104c.
|
|
|
Jia, S;
Deng, S;
Qing, Y;
He, G;
Deng, X;
Luo, S;
Wu, Y;
... Parkin, IP; + view all
(2021)
A coating-free superhydrophobic sensing material for full-range human motion and microliter droplet impact detection.
Chemical Engineering Journal
, 410
, Article 128418. 10.1016/j.cej.2021.128418.
|
|
Jiang, C;
Yang, J;
Zhao, T;
Xiong, L;
Guo, ZX;
Ren, Y;
Qi, H;
... Tang, J; + view all
(2021)
Co3+-O-V4+ cluster in CoVOx nanorods for efficient and stable electrochemical oxygen evolution.
Applied Catalysis B: Environmental
, 282
, Article 119571. 10.1016/j.apcatb.2020.119571.
|
|
Jiao, Y;
Li, F;
Jin, X;
Lei, Q;
Li, L;
Wang, L;
Ye, T;
... Zhang, Y; + view all
(2021)
Engineering Polymer Glue towards 90% Zinc Utilization for 1000 Hours to Make High-Performance Zn-Ion Batteries.
Advanced Functional Materials
, 31
(49)
, Article 2107652. 10.1002/adfm.202107652.
|
|
Johnson, ID;
Stapleton, N;
Nolis, G;
Bauer, D;
Parajuli, P;
Yoo, HD;
Yin, L;
... Cabana, J; + view all
(2021)
Control of crystal size tailors the electrochemical performance of alpha-V2O5 as a Mg2+ intercalation host.
Nanoscale
10.1039/d1nr03080a.
|
|
|
Jones, SF;
Joshi, H;
Terry, SJ;
Burns, JR;
Aksimentiev, A;
Eggert, US;
Howorka, S;
(2021)
Hydrophobic Interactions between DNA Duplexes and Synthetic and Biological Membranes.
Journal of the American Chemical Society (JACS)
10.1021/jacs.0c13235.
(In press).
|
|
|
Kabalan, L;
Kowalec, I;
Catlow, CRA;
Logsdail, AJ;
(2021)
A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces.
Physical Chemistry Chemical Physics
, 23
pp. 14649-14661.
10.1039/d1cp01602d.
|
|
|
Kalha, C;
Bichelmaier, S;
Fernando, NK;
Berens, JV;
Thakur, PK;
Lee, TL;
Gutiérrez Moreno, JJ;
... Regoutz, A; + view all
(2021)
Thermal and oxidation stability of Ti_{x}W_{1−x} diffusion barriers investigated by soft and hard x-ray photoelectron spectroscopy.
Journal of Applied Physics
, 129
(19)
, Article 195302. 10.1063/5.0048304.
|
|
Kalha, C;
Fernando, NK;
Bhatt, P;
Johansson, F;
Linblad, A;
Rensmo, H;
Zendejas Mendina, L;
... Regoutz, A; + view all
(2021)
Hard X-ray Photoelectron SpectroscopyA Snapshot of the State-of-the-Art in 2020.
Journal of Physics: Condensed Matter
10.1088/1361-648X/abeacd.
(In press).
|
|
|
Kang, L;
Wang, B;
Thetford, A;
Wu, K;
Danaie, M;
He, Q;
Gibson, E;
... Wang, FR; + view all
(2021)
Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation.
Angewandte Chemie: International Edition
, 60
(3)
pp. 1212-1219.
10.1002/anie.202008370.
|
|
Karade, SS;
Hill, ML;
Kiappes, JL;
Manne, R;
Aakula, B;
Zitzmann, N;
Warfield, KL;
... Mariuzza, RA; + view all
(2021)
N-Substituted Valiolamine Derivatives as Potent Inhibitors of Endoplasmic Reticulum α-Glucosidases I and II with Antiviral Activity.
Journal of Medicinal Chemistry
, 64
(24)
pp. 18010-18024.
10.1021/acs.jmedchem.1c01377.
|
|
Kavanagh, SR;
Savory, CN;
Scanlon, DO;
Walsh, A;
(2021)
Hidden spontaneous polarisation in the chalcohalide photovoltaic absorber Sn2SbS2I3.
Materials Horizons
10.1039/d1mh00764e.
(In press).
|
|
|
Kavanagh, SR;
Walsh, A;
Scanlon, DO;
(2021)
Rapid Recombination by Cadmium Vacancies in CdTe.
ACS Energy Letters
10.1021/acsenergylett.1c00380.
|
|
|
Kim, D-W;
Choi, J;
Byun, J;
Kim, JT;
Lee, GS;
Kim, JG;
Kim, D;
... Kim, SO; + view all
(2021)
Monodisperse Carbon Nitride Nanosheets as Multifunctional Additives for Efficient and Durable Perovskite Solar Cells.
ACS Applied Materials and Interfaces
, 13
(51)
pp. 61215-61226.
10.1021/acsami.1c19587.
|
|
Kontou, G;
Antonoudiou, P;
Podpolny, M;
Szulc, BR;
Arancibia-Carcamo, IL;
Higgs, NF;
Lopez-Domenech, G;
... Kittler, JT; + view all
(2021)
Miro1-dependent mitochondrial dynamics in parvalbumin Interneurons.
eLife
10.7554/eLife.65215.
(In press).
|
|
|
Krajewska, CJ;
Kavanagh, SR;
Zhang, L;
Kubicki, DJ;
Dey, K;
Galkowski, K;
Grey, CP;
... Palgrave, RG; + view all
(2021)
Enhanced visible light absorption in layered Cs_{3}Bi_{2}Br_+{9} through mixed-valence Sn(II)/Sn(IV) doping.
Chemical Science
10.1039/d1sc03775g.
(In press).
|
|
|
Kucharski, S;
Blackman, C;
(2021)
Atomistic Descriptions of Gas-Surface Interactions on Tin Dioxide.
Chemosensors
, 9
(9)
, Article 270. 10.3390/chemosensors9090270.
|
|
|
Kumar, S;
Hassan, I;
Regue, M;
Gonzalez-Carrero, S;
Rattner, E;
Isaacs, MA;
Eslava, S;
(2021)
Mechanochemically synthesized Pb-free halide perovskite-based Cs2AgBiBr6–Cu–RGO nanocomposite for photocatalytic CO2 reduction.
Journal of Materials Chemistry A
, 9
pp. 12179-12187.
10.1039/d1ta01281a.
|
|
|
Laassiri, S;
Zeinalipour-Yazdi, CD;
Bion, N;
Catlow, CRA;
Hargreaves, JSJ;
(2021)
Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis.
Faraday Discussions
, 229
pp. 281-296.
10.1039/c9fd00131j.
|
|
|
Lais, T;
Lukashuk, L;
van de Water, L;
Hyde, TI;
Aramini, M;
Sankar, G;
(2021)
Elucidation of copper environment in a Cu-Cr-Fe oxide catalyst through in situ high-resolution XANES investigation.
Physical Chemistry Chemical Physics
10.1039/d0cp06468h.
(In press).
|
|
|
Lamb, J;
Šimaitis, J;
Halukeerthi, SO;
Salzmann, CG;
Holland, JP;
(2021)
Graphene Nanoflake Antibody Conjugates for Multimodal Imaging of Tumors.
Advanced NanoBiomed Research
, 1
(9)
, Article 2100009. 10.1002/anbr.202100009.
|
|
Lan, Y;
Liu, Y;
Li, J;
Chen, D;
He, G;
Parkin, IP;
(2021)
Natural Clay-Based Materials for Energy Storage and Conversion Applications.
Advanced Science
10.1002/advs.202004036.
(In press).
|
|
|
Lanphere, C;
Arnott, PM;
Jones, SF;
Korlova, K;
Howorka, S;
(2021)
A Biomimetic DNA‐Based Membrane Gate for Protein‐Controlled Transport of Cytotoxic Drugs.
Angewandte Chemie
, 133
(4)
pp. 1931-1936.
10.1002/ange.202011583.
|
|
Lanphere, C;
Offenbartl-Stiegert, D;
Dorey, A;
Pugh, G;
Georgiou, E;
Xing, Y;
Burns, JR;
(2021)
Design, assembly, and characterization of membrane-spanning DNA nanopores.
Nature Protocols
, 16
pp. 86-130.
10.1038/s41596-020-0331-7.
|
|
Leach, AS;
Hack, J;
Amboage, M;
Diaz-Moreno, S;
Huang, H;
Cullen, PL;
Wilding, M;
... Jervis, R; + view all
(2021)
A novel fuel cell design for operando energy-dispersive X-ray absorption measurements.
Journal of Physics: Condensed Matter
10.1088/1361-648X/ac0476.
(In press).
|
|
|
Lee, H;
Merzky, A;
Tan, L;
Titov, M;
Turilli, M;
Alfe, D;
Bhati, A;
... Jha, S; + view all
(2021)
Scalable HPC & AI infrastructure for COVID-19 therapeutics.
PASC '21: Proceedings of the Platform for Advanced Scientific Computing Conference
, Article 2. 10.1145/3468267.3470573.
|
|
|
Lettieri, S;
Manesiotis, P;
Slann, M;
Lewis, DW;
Hall, AJ;
(2021)
A novel Hamilton receptor monomer for the stoichiometric molecular imprinting of barbiturates.
Reactive and Functional Polymers
, 167
, Article 105031. 10.1016/j.reactfunctpolym.2021.105031.
|
|
Leung, CLA;
Elizarova, I;
Isaacs, M;
Marathe, S;
Saiz, E;
Lee, PD;
(2021)
Enhanced near-infrared absorption for laser powder bed fusion using reduced graphene oxide.
Applied Materials Today
, 23
, Article 101009. 10.1016/j.apmt.2021.101009.
|
|
|
Li, J;
Li, W;
Huang, L;
Ma, C;
Liu, J;
Zhou, Q;
He, G;
(2021)
Synthesis and Kinetic Analysis of a-MnO₂ Nanowires for Supercapacitor Electrode.
Journal of Nanoelectronics and Optoelectronics
, 16
(2)
pp. 149-156.
10.1166/jno.2021.2910.
|
|
Li, X;
Dai, X;
Xu, H;
Shen, K;
Guo, J;
Li, C;
Zou, G;
... Wu, J; + view all
(2021)
Multifunctional two-dimensional glassy graphene devices for vis-NIR photodetection and volatile organic compound sensing.
Science China Materials
, 64
pp. 1964-1976.
10.1007/s40843-020-1601-9.
|
|
Li, Zhihao;
Jiao, Qiang;
He, Shu-Ang;
He, Guanjie;
Cen, Ze;
Yang, Fang;
Zou, Rujia;
(2021)
Engineering oxygen vacancies and surface chemical reconstruction of MOF-derived hierarchical CoO/Ni2P-Co2P nanosheet arrays for advanced aqueous zinc-ion batteries.
Dalton Transactions
, 50
(47)
pp. 17538-17548.
10.1039/d1dt03193g.
|
|
Li, Q;
Wang, H;
Tang, X;
Zhou, M;
Zhao, H;
Xu, Y;
Xiao, W;
(2021)
Electrical Conductivity Adjustment for Interface Capacitive-Like Storage in Sodium-Ion Battery.
Advanced Functional Materials
10.1002/adfm.202101081.
(In press).
|
|
|
Lin, Jiarun;
Yang, Kylie;
New, Elizabeth J;
(2021)
Strategies for organelle targeting of fluorescent probes.
Organic and Biomolecular Chemistry
, 19
(43)
pp. 9339-9357.
10.1039/d1ob01447a.
|
|
Liu, B;
Xu, S;
Zhang, M;
Li, X;
Decarolis, D;
Liu, Y;
Wang, Y;
... Yan, K; + view all
(2021)
Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets.
Green Chemistry
, 23
pp. 4034-4043.
10.1039/d1gc00901j.
|
|
Liu, Q;
Tian, S;
Zhao, X;
Sankar, G;
(2021)
An enhanced fluorescent ZIF-8 film by capturing guest molecules for light-emitting applications.
Journal of Material Chemistry C
, 9
(17)
pp. 5819-5826.
10.1039/d1tc00457c.
|
|
Liu, Siyu;
Mao, Hui;
Qiao, Jin;
Zhang, Xiaoning;
Lu, Yangbin;
Gong, Xin;
Jia, Aiqiong;
... Zhao, Fei; + view all
(2021)
Temperature-Controlled Divergent Synthesis of Tetrasubstituted Alkenes and Pyrrolo[1,2-a]indole Derivatives via Iridium Catalysis.
Asian Journal of Organic Chemistry
, 10
(12)
pp. 3308-3320.
10.1002/ajoc.202100476.
|
|
Liu, Y;
Lu, X;
Lai, F;
Liu, T;
Shearing, PR;
Parkin, IP;
He, G;
(2021)
Rechargeable aqueous Zn-based energy storage devices.
Joule
, 5
(11)
pp. 2845-2903.
10.1016/j.joule.2021.10.011.
|
|
Liu, Y;
Niu, Z;
Dai, G;
Chen, Y;
Li, H;
Huang, L;
Zhang, X;
... Zhao, Y; + view all
(2021)
Phenothiazine-based copolymer with redox functional backbones for organic battery cathode materials.
Materials Today Energy
, 21
, Article 100812. 10.1016/j.mtener.2021.100812.
|
|
Liu, Y;
Zhu, W;
Jiang, J;
Zhu, C;
Liu, C;
Slater, B;
Ojamäe, L;
... Zeng, XC; + view all
(2021)
Formation of porous ice frameworks at room temperature.
Proceedings of the National Academy of Sciences (PNAS)
, 118
(31)
, Article e2104442118. 10.1073/pnas.2104442118.
|
|
Liu, L;
Kochman, MA;
Xu, Y;
Zwijnenburg, MA;
Cooper, AI;
Sprick, RS;
(2021)
Acetylene-linked conjugated polymers for sacrificial photocatalytic hydrogen evolution from water.
Journal of Materials Chemistry A
10.1039/d1ta04288b.
(In press).
|
|
|
Liu, Y;
He, G;
Jiang, H;
Parkin, IP;
Shearing, PR;
Brett, DJL;
(2021)
Cathode Design for Aqueous Rechargeable Multivalent Ion Batteries: Challenges and Opportunities.
Advanced Functional Materials
10.1002/adfm.202010445.
|
|
|
Lo Faro, MJ;
Ruello, G;
Leonardi, AA;
Morganti, D;
Irrera, A;
Priolo, F;
Gigan, S;
... Fazio, B; + view all
(2021)
Visualization of Directional Beaming of Weakly Localized Raman from a Random Network of Silicon Nanowires.
Advanced Science
, 8
(14)
, Article 2100139. 10.1002/advs.202100139.
|
|
|
Lu, Y;
Saroja, APVK;
Wei, R;
Xu, Y;
(2021)
Engineering metal selenides for sodium-and potassium-ion batteries.
Cell Reports Physical Science
, 2
(9)
, Article 100555. 10.1016/j.xcrp.2021.100555.
|
|
|
Lu, Z;
Zhu, B;
Shires, BWB;
Scanlon, DO;
Pickard, CJ;
(2021)
Ab initio random structure searching for battery cathode materials.
Journal of Chemical Physics
, 154
(17)
, Article 174111. 10.1063/5.0049309.
|
|
Lunn, RDJ;
Tocher, DA;
Sidebottom, PJ;
Montgomery, MG;
Keates, AC;
Carmalt, CJ;
(2021)
Applying the Crystalline Sponge Method to Agrochemicals: Obtaining X-ray Structures of the Fungicide Metalaxyl-M and Herbicide S-Metolachlor.
Crystal Growth & Design
10.1021/acs.cgd.1c00196.
(In press).
|
|
|
Lv, X;
Wang, W;
Clancy, AJ;
Yu, H;
(2021)
High-Speed, Heavy-Load, and Direction-Controllable Photothermal Pneumatic Floating Robot.
ACS Applied Materials and Interfaces
, 13
(19)
pp. 23030-23037.
10.1021/acsami.1c05827.
|
|
Ma, T-K;
Li, D;
Wilden, JD;
(2021)
Mechanistic studies of reactive oxygen species mediated electrochemical radical reactions of alkyl iodides.
Chemical Communications
10.1039/d1cc03019a.
(In press).
|
|
|
Macdonald, TJ;
Clancy, AJ;
Xu, W;
Jiang, Z;
Lin, C-T;
Mohan, L;
Du, T;
... Howard, CA; + view all
(2021)
Phosphorene Nanoribbon-Augmented Optoelectronics for Enhanced Hole Extraction.
Journal of the American Chemical Society
, 143
(51)
pp. 21549-21559.
10.1021/jacs.1c08905.
|
|
Maitra, A;
Nukala, S;
Dickman, R;
Martin, LT;
Munshi, T;
Gupta, A;
Shepherd, AJ;
... Bhakta, S; + view all
(2021)
Characterization of the MurT/GatD complex in Mycobacterium tuberculosis towards validating a novel anti-tubercular drug target.
JAC-Antimicrobial Resistance
, 3
(1)
10.1093/jacamr/dlab028.
(In press).
|
|
|
Manning, JRH;
Brambila, C;
Patwardhan, SV;
(2021)
Unified mechanistic interpretation of amine-assisted silica synthesis methods to enable design of more complex materials.
Molecular Systems Design & Engineering
10.1039/d0me00131g.
(In press).
|
|
|
Manning, JRH;
Walkley, B;
Provis, JL;
Patwardhan, SV;
(2021)
Mimicking Biosintering: The Identification of Highly Condensed Surfaces in Bioinspired Silica Materials.
Langmuir
, 37
(1)
pp. 561-568.
10.1021/acs.langmuir.0c03261.
|
|
|
Mant, B;
Yurtsever, E;
González-Sánchez, L;
Wester, R;
Gianturco, FA;
(2021)
Vibrational quenching of CN− in collisions with He and Ar.
The Journal of Chemical Physics
, 154
(8)
, Article 084305. 10.1063/5.0039854.
|
|
Mant, B;
Franz, J;
Wester, R;
Gianturco, FA;
(2021)
Beyond the helium buffer: C-12(2)- rotational cooling in cold traps with H-2 as a partner gas: interaction forces and quantum dynamics.
Molecular Physics
10.1080/00268976.2021.1938267.
(In press).
|
|
|
Marin-Beloqui, JM;
Toolan, DTW;
Panjwani, NA;
Limbu, S;
Kim, JS;
Clarke, TM;
(2021)
Triplet-Charge Annihilation in a Small Molecule Donor: Acceptor Blend as a Major Loss Mechanism in Organic Photovoltaics.
Advanced Energy Materials
10.1002/aenm.202100539.
|
|
|
Matam, SK;
Catlow, CRA;
Silverwood, IP;
O'Malley, AJ;
(2021)
Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study.
Topics in Catalysis
10.1007/s11244-021-01450-z.
(In press).
|
|
|
Matras, D;
Vamvakeros, A;
Jacques, SDM;
di Michiel, M;
Middelkoop, V;
Ismagilov, IZ;
Matus, EV;
... Beale, AM; + view all
(2021)
Multi-length scale 5D diffraction imaging of Ni-Pd/CeO2-ZrO2/Al2O3 catalyst during partial oxidation of methane.
Journal of Materials Chemistry A
, 9
(18)
pp. 11331-11346.
10.1039/d1ta01464a.
|
|
Matras, D;
Vamvakeros, A;
Jacques, S;
Grosjean, N;
Rollins, B;
Poulston, S;
Stenning, GBG;
... Beale, AM; + view all
(2021)
Effect of thermal treatment on the stability of Na-Mn-W/SiO2 Catalyst for the Oxidative Coupling of Methane.
Faraday Discussions
, 229
pp. 176-196.
10.1039/c9fd00142e.
|
|
McColl, K;
Corà, F;
(2021)
Fast lithium-ion conductivity in the 'empty-perovskite' n = 2 Ruddlesden–Popper-type oxysulphide Y₂Ti₂S₂O₅.
Journal of Materials Chemistry A
10.1039/d0ta11358a.
(In press).
|
|
|
McColl, K;
Griffith, KJ;
Dally, RL;
Li, R;
Douglas, JE;
Poeppelmeier, KR;
Cora, F;
... Butala, MM; + view all
(2021)
Energy storage mechanisms in vacancy-ordered Wadsley-Roth layered niobates.
Journal of Materials Chemistry A
10.1039/d1ta02992d.
(In press).
|
|
|
McCullough, JWS;
Coveney, PV;
(2021)
An efficient, localised approach for the simulation of elastic blood vessels using the lattice Boltzmann method.
Scientific Reports
, 11
, Article 24260. 10.1038/s41598-021-03584-2.
|
|
|
McCullough, JWS;
Coveney, PV;
(2021)
High fidelity blood flow in a patient-specific arteriovenous fistula.
Scientific Reports
, 11
, Article 22301. 10.1038/s41598-021-01435-8.
|
|
|
McCullough, JWS;
Łaniewski-Wołłk, Ł;
Aminossadati, SM;
Leonardi, CR;
(2021)
A 3D LBM-DEM study of sheared particle suspensions under the influence of temperature-dependent viscosity.
Powder Technology
, 390
pp. 143-158.
10.1016/j.powtec.2021.05.011.
|
|
McCullough, JWS;
Richardson, RA;
Patronis, A;
Halver, R;
Marshall, R;
Ruefenacht, M;
Wylie, BJM;
... Coveney, PV; + view all
(2021)
Towards Blood Flow in the Virtual Human: Efficient Self-Coupling of HemeLB.
Interface focus
, 11
(1)
, Article 20190119. 10.1098/rsfs.2019.0119.
|
|
|
Mears, KL;
Bhide, MA;
Knapp, CE;
Carmalt, CJ;
(2021)
Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.
Dalton Transactions
10.1039/d1dt03365d.
(In press).
|
|
|
Mertzenich, CL;
Papaefstathiou, GS;
Friščić, T;
Hamilton, TD;
Bučar, DK;
Swenson, DC;
MacGillivray, LR;
(2021)
Inverted metal–organic frameworks: isoreticular decoration with organic anions using principles of supramolecular chemistry.
Journal of Coordination Chemistry
, 74
(1-3)
pp. 169-177.
10.1080/00958972.2021.1880004.
|
|
Mewes, L;
Ingle, RA;
Al Haddad, A;
Chergui, M;
(2021)
Broadband visible two-dimensional spectroscopy of molecular dyes.
The Journal of Chemical Physics
, 155
(3)
, Article 034201. 10.1063/5.0053554.
|
|
Miao, TJ;
Wang, C;
Xiong, L;
Li, X;
Xie, J;
Tang, J;
(2021)
In Situ Investigation of Charge Performance in Anatase TiO2 Powder for Methane Conversion by Vis–NIR Spectroscopy.
ACS Catalysis
, 11
(13)
pp. 8226-8238.
10.1021/acscatal.1c01998.
|
|
|
Miller, MF;
Woodward, JR;
Bailey, E;
Thiemens, MH;
McMillan, PF;
Grady, MM;
Kirk, C;
(2021)
Mass-independent fractionation of oxygen isotopes during thermal decomposition of divalent metal carbonates: Crystallographic influence, potential mechanism and cosmochemical significance.
Chemical Geology
, 586
, Article 120500. 10.1016/j.chemgeo.2021.120500.
|
|
Mitchell, CE;
Santos-Carballal, D;
Beale, AM;
Jones, W;
Morgan, DJ;
Sankar, M;
de Leeuw, NH;
(2021)
The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO2 hydrogenation.
Faraday Discussions
10.1039/d0fd00137f.
(In press).
|
|
|
Mitchell, CE;
Terranova, U;
Beale, AM;
Jones, W;
Morgan, DJ;
Sankar, M;
de Leeuw, NH;
(2021)
A surface oxidised Fe-S catalyst for the liquid phase hydrogenation of CO₂.
Catalysis Science and Technology
, 11
(3)
pp. 779-784.
10.1039/d0cy01779e.
|
|
Mitscha-Baude, G;
Stadlbauer, B;
Howorka, S;
Heitzinger, C;
(2021)
Protein Transport through Nanopores Illuminated by Long-Time-Scale Simulations.
ACS Nano
10.1021/acsnano.1c01078.
(In press).
|
|
|
Morozov, IG;
Belousova, OV;
Sathasivam, S;
Parkin, IP;
Kuznetsov, MV;
(2021)
Some peculiarities of room-temperature ferromagnetism in ensembles of mixed-phase TiN_{x}-TiO_{y} nanoparticles.
Materials Research Bulletin
, 134
, Article 111092. 10.1016/j.materresbull.2020.111092.
|
|
Moss, B;
Wang, Q;
Butler, KT;
Grau-Crespo, R;
Selim, S;
Regoutz, A;
Hisatomi, T;
... Durrant, JR; + view all
(2021)
Linking in situ charge accumulation to electronic structure in doped SrTiO₃ reveals design principles for hydrogen-evolving photocatalysts.
Nature Materials
, 20
pp. 511-517.
10.1038/s41563-020-00868-2.
|
|
Muñoz-Gil, G;
Volpe, G;
Garcia-March, MA;
Aghion, E;
Argun, A;
Hong, CB;
Bland, T;
... Manzo, C; + view all
(2021)
Objective comparison of methods to decode anomalous diffusion.
Nature Communications
, 12
(1)
, Article 6253. 10.1038/s41467-021-26320-w.
|
|
|
Nadeem, IM;
Hargreaves, L;
Harrison, GT;
Idriss, H;
Shluger, AL;
Thornton, G;
(2021)
Carboxylate Adsorption on Rutile TiO2(100): Role of Coulomb Repulsion, Relaxation, and Steric Hindrance.
The Journal of Physical Chemistry C
, 125
(25)
pp. 13770-13779.
10.1021/acs.jpcc.1c00892.
|
|
|
Nasrallah, A;
Engel, J;
Catlow, CRA;
Willock, DJ;
(2021)
Density Functional Theory Study of the Partial Oxidation of Methane to Methanol on Au and Pd Surfaces.
The Journal of Physical Chemistry C
, 125
(34)
pp. 18770-18785.
10.1021/acs.jpcc.1c06206.
|
|
Nastase, SAF;
Logsdail, AJ;
Catlow, CRA;
(2021)
QM/MM study of the reactivity of zeolite bound methoxy and carbene groups.
Physical Chemistry Chemical Physics
, 23
pp. 17634-17644.
10.1039/d1cp02535j.
|
|
|
Nayak, P;
Xie, R-C;
Palgrave, RG;
Compton, RG;
(2021)
Electro-Oxidation of Titanium Carbide Nanoparticles in Aqueous Acid Creates TiC@TiO2 Core-Shell Structures.
CHEMELECTROCHEM
, 8
(5)
pp. 911-917.
10.1002/celc.202001498.
|
|
|
Negahdar, L;
Omori, NE;
Quesne, MG;
Frogley, MD;
Cacho-Nerin, F;
Jones, W;
Price, SWT;
... Beale, AM; + view all
(2021)
Elucidating the Significance of Copper and Nitrate Speciation in Cu-SSZ-13 for N₂O Formation during NH₃-SCR.
ACS Catalysis
, 11
pp. 13091-13101.
10.1021/acscatal.1c03174.
|
|
Németh, P;
McColl, K;
Garvie, LAJ;
Salzmann, CG;
Pickard, CJ;
Corà, F;
Smith, RL;
... McMillan, PF; + view all
(2021)
Diaphite-structured nanodiamonds with six- and twelve-fold symmetries.
Diamond and Related Materials
, 119
, Article 108573. 10.1016/j.diamond.2021.108573.
|
|
|
Newgas, Sophie A;
Jeffries, Jack WE;
Moody, Thomas S;
Ward, John M;
Hailes, Helen C;
(2021)
Discovery of New Carbonyl Reductases Using Functional Metagenomics and Applications in Biocatalysis.
Advanced Synthesis and Catalysis
, 363
(12)
pp. 3044-3052.
10.1002/adsc.202100199.
|
|
Nezhentsev, Andrey;
Abhari, Roxanna E;
Baldwin, Mathew J;
Mimpen, Jolet Y;
Augustyniak, Edyta;
Isaacs, Mark;
Mouthuy, Pierre-Alexis;
... Snelling, Sarah JB; + view all
(2021)
In vitro evaluation of the response of human tendon-derived stromal cells to a novel electrospun suture for tendon repair.
Translational Sports Medicine
, 4
(3)
pp. 409-418.
10.1002/tsm2.233.
|
|
Noble Jesus, C;
Evans, R;
Forth, J;
Estarellas, C;
Gervasio, FL;
Battaglia, G;
(2021)
Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation.
ACS Macro Letters
, 10
(8)
pp. 984-989.
10.1021/acsmacrolett.1c00142.
|
|
|
Offi, F;
Yamauchi, K;
Picozzi, S;
Lollobrigida, V;
Verna, A;
Schlueter, C;
Lee, T-L;
... Borgatti, F; + view all
(2021)
Identification of hidden orbital contributions in the La_{0.65} Sr_{0.35} MnO_{3} valence band.
Physical Review Material
, 5
(10)
, Article 104403. 10.1103/PhysRevMaterials.5.104403.
|
|
Olivucci, M;
Tran, T;
Worth, GA;
Robb, MA;
(2021)
Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S_{1} and S_{2}.
The Journal of Physical Chemistry Letters
, 12
pp. 5639-5643.
10.1021/acs.jpclett.1c01379.
(In press).
|
|
|
Omori, N;
Candeo, A;
Mosca, S;
Lezcano‐Gonzalez, I;
Robinson, IK;
Li, L;
Greenaway, AG;
... Beale, AM; + view all
(2021)
Multimodal Imaging of Autofluorescent Sites Reveals Varied Chemical Speciation in SSZ‐13 Crystals.
Angewandte Chemie
, 133
(10)
pp. 5185-5191.
10.1002/ange.202015016.
|
|
Ortmayer, M;
Hardy, FJ;
Quesne, MG;
Fisher, K;
Levy, C;
Heyes, DJ;
Catlow, CRA;
... Green, AP; + view all
(2021)
A Noncanonical Tryptophan Analogue Reveals an Active Site Hydrogen Bond Controlling Ferryl Reactivity in a Heme Peroxidase.
Journal of the American Chemical Society
, 1
(7)
pp. 913-918.
10.1021/jacsau.1c00145.
|
|
Panchal, M;
Callison, J;
Skukauskas, V;
Gianolio, D;
Cibin, G;
York, APE;
Schuster, ME;
... Gibson, EK; + view all
(2021)
Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity.
Journal of Physics: Condensed Matter
, 33
(28)
, Article 284001. 10.1088/1361-648x/abfe16.
|
|
|
Park, Jun-Hyoung;
Choi, Yong-Seok;
Kim, ChangHyeon;
Byeon, Young-Woon;
Kim, Yongmin;
Lee, Byeong-Joo;
Ahn, Jae-Pyoung;
... Lee, Jae-Chul; + view all
(2021)
Self-Assembly of Pulverized Nanoparticles: An Approach to Realize Large-Capacity, Long-Lasting, and Ultra-Fast-Chargeable Na-Ion Batteries.
Nano Letters: a journal dedicated to nanoscience and nanotechnology
, 21
(21)
pp. 9044-9051.
10.1021/acs.nanolett.1c02518.
|
|
Patir, A;
Hwang, GB;
Lourenco, C;
Nair, SP;
Carmalt, CJ;
Parkin, IP;
(2021)
Crystal Violet-Impregnated Slippery Surface to Prevent Bacterial Contamination of Surfaces.
ACS Applied Materials & Interfaces
, 13
(4)
pp. 5478-5485.
10.1021/acsami.0c17915.
|
|
Pepe, G;
Sfogliarini, C;
Rizzello, L;
Battaglia, G;
Pinna, C;
Rovati, G;
Ciana, P;
... Vegeto, E; + view all
(2021)
ER alpha-independent NRF2-mediated immunoregulatory activity of tamoxifen.
Biomedicine & Pharmacotherapy
, 144
, Article 112274. 10.1016/j.biopha.2021.112274.
|
|
|
Phaahla, TM;
Sokol, AA;
Catlow, CRA;
Woodley, SM;
Ngoepe, PE;
Chauke, HR;
(2021)
The Thermal Agitated Phase Transitions on the Ti-32 Nanocluster: a Molecular Dynamics Simulation Study.
South African Journal of Chemistry
, 74
pp. 17-22.
10.17159/0379-4350/2021/v74a4.
|
|
|
Piercy, VL;
Saeed, KH;
Prentice, AW;
Neri, G;
Li, C;
Gardner, AM;
Bai, Y;
... Cowan, AJ; + view all
(2021)
Time-Resolved Raman Spectroscopy of Polaron Formation in a Polymer Photocatalyst.
Journal of Physical Chemistry Letters
, 12
(44)
pp. 10899-10905.
10.1021/acs.jpclett.1c03073.
|
|
Pink, DL;
Foglia, F;
Barlow, DJ;
Lawrence, MJ;
Lorenz, CD;
(2021)
The Impact of Lipid Digestion on the Dynamic and Structural Properties of Micelles.
SMALL
, 17
(6)
, Article 2004761. 10.1002/smll.202004761.
|
|
|
Popadić, D;
Mhaindarkar, D;
Dang Thai, MHN;
Hailes, HC;
Mordhorst, S;
Andexer, JN;
(2021)
A bicyclic S-adenosylmethionine regeneration system applicable with different nucleosides or nucleotides as cofactor building blocks.
RSC Chemical Biology
10.1039/d1cb00033k.
(In press).
|
|
|
Portnoi, M;
Haigh, PA;
Macdonald, TJ;
Ambroz, F;
Parkin, IP;
Darwazeh, I;
Papakonstantinou, I;
(2021)
Bandwidth limits of luminescent solar concentrators as detectors in free-space optical communication systems.
Light: Science & Applications
, 10
, Article 3. 10.1038/s41377-020-00444-y.
|
|
|
Potticary, J;
Hall, CL;
Guo, R;
Price, SL;
Hall, SR;
(2021)
On the Application of Strong Magnetic Fields during Organic Crystal Growth.
Crystal Growth & Design
10.1021/acs.cgd.1c00723.
(In press).
|
|
|
Powner, M;
Colville, B;
(2021)
Selective prebiotic synthesis of α‐threofuranosyl cytidine by photochemical anomerization.
Angewandte Chemie: International Edition
10.1002/anie.202101376.
(In press).
|
|
|
Prakoso, Bagas;
Mahbub, Muhammad Adib Abdillah;
Yilmaz, Meltem;
Khoiruddin;
Wenten, I Gede;
Handoko, Albertus Denny;
Sumboja, Afriyanti;
(2021)
Recent Progress in Extending the Cycle-Life of Secondary Zn-Air Batteries.
ChemNanoMat
, 7
(4)
pp. 354-367.
10.1002/cnma.202000672.
|
|
Prentice, A;
Zwijnenburg, M;
(2021)
Hydrogen Evolution by Polymer Photocatalysts; a Possible Photocatalytic Cycle.
Sustainable Energy & Fuels
10.1039/d1se00059d.
(In press).
|
|
|
Price, S;
Armenta Butt, S;
(2021)
Bond-forming and electron-transfer reactivity between Ar2+ and N2.
Physical Chemistry Chemical Physics
10.1039/D1CP00918D.
(In press).
|
|
Qin, J;
Chu, K;
Huang, Y;
Zhu, X;
Hofkens, J;
He, G;
Parkin, IP;
... Liu, T; + view all
(2021)
The bionic sunflower: a bio-inspired autonomous light tracking photocatalytic system.
Energy & Environmental Science
, 14
(7)
pp. 3931-3937.
10.1039/d1ee00587a.
|
|
Quesne, MG;
Catlow, CRA;
De Leeuw, NH;
(2021)
How bulk and surface properties of Ti₄SiC₃, V₄SiC₃, Nb₄SiC₃ and Zr₄SiC₃ tune reactivity: a computational study.
Faraday Discussions
10.1039/d1fd00004g.
(In press).
|
|
|
Rahim, W;
Skelton, JM;
Scanlon, DO;
(2021)
Ca_{4}Sb_{2}O and Ca_{4}Bi_{2}O: two promising mixed-anion thermoelectrics.
Journal of Materials Chemistry A
10.1039/d1ta03649a.
(In press).
|
|
|
Ralli, A;
Love, PJ;
Tranter, A;
Coveney, PV;
(2021)
Implementation of measurement reduction for the variational quantum eigensolver.
Physical Review Research
, 3
(3)
, Article 033195. 10.1103/PhysRevResearch.3.033195.
|
|
|
Richards, DA;
Thomas, MR;
Szijj, PA;
Foote, J;
Chen, Y;
Nogueira, JCF;
Chudasama, V;
(2021)
Employing defined bioconjugates to generate chemically functionalised gold nanoparticles for in vitro diagnostic applications.
Nanoscale
, 13
pp. 11921-11931.
10.1039/d1nr02584h.
|
|
|
Rivera, M;
Stojanovic, L;
Crespo-Otero, R;
(2021)
Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals.
The Journal of Physical Chemistry A
, 125
(4)
pp. 1012-1024.
10.1021/acs.jpca.0c11072.
|
|
Roddan, R;
Subrizi, F;
Broomfield, J;
Ward, JM;
Keep, NH;
Hailes, HC;
(2021)
Chemoenzymatic Cascades toward Methylated Tetrahydroprotoberberine and Protoberberine Alkaloids.
Organic Letters
, 23
(16)
pp. 6342-6347.
10.1021/acs.orglett.1c02110.
|
|
Rood, S;
Pastor-Algaba, O;
Tosca-Princep, A;
Pinho, B;
Isaacs, M;
Torrente-Murciano, L;
Eslava, S;
(2021)
Synergistic Effect of Simultaneous Doping of Ceria Nanorods with Cu and Cr on CO Oxidation and NO Reduction.
Chemistry
, 27
(6)
pp. 2165-2174.
10.1002/chem.202004623.
|
|
|
Ruiz-Gonzalez, A;
Choy, KL;
(2021)
Highly selective and robust nanocomposite-based sensors for potassium ions detection.
Applied Materials Today
, 23
, Article 101008. 10.1016/j.apmt.2021.101008.
|
|
Ruiz-Gonzalez, A;
Choy, KL;
(2021)
Integration of an aerosol-assisted deposition technique for the deposition of functional biomaterials applied to the fabrication of miniaturised Ion sensors.
Nanomaterials
, 11
(4)
, Article 938. 10.3390/nano11040938.
|
|
|
Ruiz-Gonzalez, A;
Clancy, AJ;
Choy, K-L;
(2021)
Rapid detection of free and bound toxins using molecularly imprinted silica/graphene oxide hybrids dagger.
Chemical Communications
10.1039/d1cc00572c.
(In press).
|
|
|
Ryan, HP;
Haynes, CJE;
Smith, A;
Grommet, AB;
Nitschke, JR;
(2021)
Guest Encapsulation within Surface-Adsorbed Self-Assembled Cages.
Advanced Materials
, 33
(1)
, Article 2004192. 10.1002/adma.202004192.
|
|
Sadraeian, M;
da Cruz, EF;
Boyle, RW;
Bahou, C;
Chudasama, V;
Janini, LMR;
Diaz, RS;
(2021)
Photoinduced Photosensitizer-Antibody Conjugates Kill HIV Env-Expressing Cells, Also Inactivating HIV.
ACS Omega
, 6
(25)
pp. 16524-16534.
10.1021/acsomega.1c01721.
|
|
|
Sajid, A;
Lalani, EN;
Chen, B;
Hashimoto, T;
Griffin, DK;
Bhartiya, A;
Thompson, G;
... Yusuf, M; + view all
(2021)
Ultra-structural imaging provides 3d organization of 46 chromosomes of a human lymphocyte prophase nucleus.
International Journal of Molecular Sciences
, 22
(11)
, Article 5987. 10.3390/ijms22115987.
|
|
|
Salzmann, CG;
Rosu-Finsen, A;
Sharif, Z;
Radaelli, PG;
Finney, JL;
(2021)
Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition.
Journal of Chemical Physics
, 154
(13)
, Article 134504. 10.1063/5.0045443.
|
|
Salzmann, CG;
Loveday, JS;
Rosu-Finsen, A;
Bull, CL;
(2021)
Structure and nature of ice XIX.
Nature Communications
, 12
(1)
, Article 3162. 10.1038/s41467-021-23399-z.
|
|
|
Sander, K;
Gendron, T;
Cybulska, KA;
Sirindil, F;
Zhou, J;
Kalber, TL;
Lythgoe, MF;
... Årstad, E; + view all
(2021)
Development of [¹⁸F]AldoView as the First Highly Selective Aldosterone Synthase PET Tracer for Imaging of Primary Hyperaldosteronism.
Journal of Medicinal Chemistry
10.1021/acs.jmedchem.1c00539.
|
|
|
Sarkar, C;
Paul, R;
Shit, SC;
Quang, TT;
Koley, P;
Rao, BS;
Beale, AM;
... Mondal, J; + view all
(2021)
Navigating Copper-Atom-Pair Structural Effect inside a Porous Organic Polymer Cavity for Selective Hydrogenation of Biomass-Derived 5-Hydroxymethylfurfural.
ACS Sustainable Chemistry and Engineering
, 9
(5)
pp. 2136-2151.
10.1021/acssuschemeng.0c07594.
|
|
Sarma, P;
Sarmah, KK;
Kakoti, D;
Mahanta, SP;
Adassooriya, NM;
Nandi, G;
Das, PJ;
... Thakuria, R; + view all
(2021)
A readily accessible porous organic polymer facilitates high-yielding Knoevenagel condensation at room temperature both in water and under solvent-free mechanochemical conditions.
Catalysis Communications
, 154
, Article 106304. 10.1016/j.catcom.2021.106304.
|
|
|
Sarma, PJ;
Dowerah, D;
Gour, NK;
Logsdail, AJ;
Catlow, CRA;
Deka, RC;
(2021)
Tuning the transition barrier of H-2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 clusters.
Physical Chemistry Chemical Physics
, 23
(1)
pp. 204-210.
10.1039/D0CP04472E.
|
|
Satale, VV;
Ganesh, V;
Dey, A;
Krishnamurthy, S;
Bhat, SV;
(2021)
Enhanced photoelectrochemical response of 1D TiO₂ by atmospheric pressure plasma surface modification.
International Journal of Hydrogen Energy
, 46
(24)
pp. 12715-12724.
10.1016/j.ijhydene.2021.01.142.
|
|
Sayer, JR;
Walldén, K;
Koss, H;
Allan, H;
Daviter, T;
Gane, PJ;
Waksman, G;
(2021)
Design, synthesis, and evaluation of peptide-imidazo[1,2-a]pyrazine bioconjugates as potential bivalent inhibitors of the VirB11 ATPase HP0525.
Journal of Peptide Science
, Article e3353. 10.1002/psc.3353.
(In press).
|
|
|
Seymour, JM;
Gousseva, E;
Large, A;
Clarke, CJ;
Licence, P;
Fogarty, RM;
Duncan, DA;
... Lovelock, KRJ; + view all
(2021)
Experimental measurement and prediction of ionic liquid ionisation energies.
Physical Chemistry Chemical Physics
, 23
(37)
pp. 20957-20973.
10.1039/d1cp02441h.
|
|
|
Shaikh, J;
Congrave, DG;
Forster, A;
Minotto, A;
Cacialli, F;
Hele, TJH;
Penfold, TJ;
... Clarke, TM; + view all
(2021)
Intrinsic photogeneration of long-lived charges in a donor-orthogonal acceptor conjugated polymer.
Chemical Science
10.1039/d1sc00919b.
(In press).
|
|
|
Shan, F;
Panariello, L;
Wu, G;
Gavriilidis, A;
Fielding, HH;
Parkin, IP;
(2021)
A study of the interaction of cationic dyes with gold nanostructures.
RSC Advances
, 11
(29)
pp. 17694-17703.
10.1039/d1ra03459f.
|
|
|
Sharif, Z;
Salzmann, CG;
(2021)
Comparison of the Phase Transitions of High-pressure Phases of Ammonium Fluoride and Ice at Ambient Pressure.
The Journal of Chemical Physics
10.1063/5.0077419.
(In press).
|
|
|
Sharif, Z;
Shephard, JJ;
Slater, B;
Bull, CL;
Hart, M;
Salzmann, CG;
(2021)
Effect of ammonium fluoride doping on the ice III to ice IX phase transition.
The Journal of Chemical Physics
, 154
(11)
, Article 114502. 10.1063/5.0032485.
|
|
Sharma, A;
Singh, S;
Song, X;
Rosas Villalva, D;
Troughton, J;
Corzo, D;
Toppare, L;
... Baran, D; + view all
(2021)
A Nonionic Alcohol Soluble Polymer Cathode Interlayer Enables Efficient Organic and Perovskite Solar Cells.
Chemistry of Materials
, 33
(22)
pp. 8602-8611.
10.1021/acs.chemmater.1c01430.
|
|
Shukla, VK;
Siemons, L;
Gervasio, FL;
Hansen, DF;
(2021)
Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8.
Chemical Science
10.1039/d1sc01929e.
(In press).
|
|
|
Smith, Louise R;
Sainna, Mala A;
Douthwaite, Mark;
Davies, Thomas E;
Dummer, Nicholas F;
Willock, David J;
Knight, David W;
... Hutchings, Graham J; + view all
(2021)
Gas Phase Glycerol Valorization over Ceria Nanostructures with Well-Defined Morphologies.
ACS Catalysis
, 11
(8)
pp. 4893-4907.
10.1021/acscatal.0c05606.
|
|
Song, T;
Lei, H;
Clancy, AJ;
Ma, S;
Yu, H;
Zhang, L;
(2021)
Supramolecular hydrogen bond enables Kapton nanofibers to reinforce liquid-crystalline polymers for light-fueled flight.
Nano Energy
, 87
, Article 106207. 10.1016/j.nanoen.2021.106207.
|
|
Spears, RJ;
McMahon, C;
Chudasama, V;
(2021)
Cysteine protecting groups: applications in peptide and protein science.
Chemical Society Reviews
10.1039/d1cs00271f.
(In press).
|
|
|
Spears, RJ;
McMahon, C;
Shamsabadi, M;
Bahou, C;
Thanasi, IA;
Rochet, LNC;
Forte, N;
... Chudasama, V; + view all
(2021)
A novel thiol-labile cysteine protecting group for peptide synthesis based on a pyridazinedione (PD) scaffold.
Chemical Communications
10.1039/d1cc03802h.
(In press).
|
|
|
Spooner, KB;
Ganose, AM;
Leung, WWW;
Buckeridge, J;
Williamson, BAD;
Palgrave, RG;
Scanlon, DO;
(2021)
BaBi₂O₆: A Promising n-Type Thermoelectric Oxide with the PbSb₂O₆ Crystal Structure.
Chemistry of Materials
, 33
(18)
pp. 7441-7456.
10.1021/acs.chemmater.1c02164.
|
|
Steeno, R;
Minoia, A;
Gimenez-Lopez, MC;
Blunt, MO;
Champness, NR;
Lazzaroni, R;
Mali, KS;
(2021)
Molecular dopant determines the structure of a physisorbed self-assembled molecular network.
Chemical Communications
, 57
(12)
pp. 1454-1457.
10.1039/d0cc07338e.
|
|
Strimaite, M;
Harman, C;
Duan, H;
Wang, Y;
Davies, G-L;
Williams, GR;
(2021)
Layered terbium hydroxides for simultaneous drug delivery and imaging.
Dalton Transactions
10.1039/d1dt01251g.
(In press).
|
|
|
Subrizi, F;
Wang, Y;
Thair, B;
Méndez‐Sánchez, D;
Roddan, R;
Cárdenas‐Fernández, M;
Siegrist, J;
... Hailes, HC; + view all
(2021)
Multienzyme One-Pot Cascades Incorporating Methyltransferases for the Strategic Diversification of Tetrahydroisoquinoline Alkaloids.
Angewandte Chemie International Edition
, 60
(34)
pp. 18673-18679.
10.1002/anie.202104476.
|
|
Subrizi, F;
Wang, Y;
Thair, B;
Méndez‐Sánchez, D;
Roddan, R;
Cárdenas‐Fernández, M;
Siegrist, J;
... Hailes, HC; + view all
(2021)
Multienzyme One-Pot Cascades Incorporating Methyltransferases for the Strategic Diversification of Tetrahydroisoquinoline Alkaloids.
Angewandte Chemie
, 133
(34)
pp. 18821-18827.
10.1002/ange.202104476.
|
|
|
Suleimenova, D;
Arabnejad, H;
Edeling, WN;
Coster, D;
Luk, OO;
Lakhlili, J;
Jancauskas, V;
... Groen, D; + view all
(2021)
Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit.
Journal of Computational Science
, 53
, Article 101402. 10.1016/j.jocs.2021.101402.
|
|
|
Suter, JL;
Coveney, PV;
(2021)
Principles governing control of aggregation and dispersion of aqueous graphene oxide.
Scientific Reports
, 11
(1)
, Article 22460. 10.1038/s41598-021-01626-3.
|
|
|
Suter, TAM;
Clancy, AJ;
Carrero, NR;
Heitzmann, M;
Guetaz, L;
Shearing, PR;
Mattevi, C;
... Brett, DJL; + view all
(2021)
Scalable sacrificial templating to increase porosity and platinum utilisation in graphene-based polymer electrolyte fuel cell electrodes.
Nanomaterials
, 11
(10)
, Article 2530. 10.3390/nano11102530.
|
|
|
Swallow, JEN;
Palgrave, RG;
Murgatroyd, PAE;
Regoutz, A;
Lorenz, M;
Hassa, A;
Grundmann, M;
... Veal, TD; + view all
(2021)
Indium Gallium Oxide Alloys: Electronic Structure, Optical Gap, Surface Space Charge, and Chemical Trends within Common-Cation Semiconductors.
ACS Applied Materials & Interfaces
, 13
(2)
pp. 2807-2819.
10.1021/acsami.0c16021.
|
|
Syed, AJ;
Anderson, JC;
(2021)
Applications of bioluminescence in biotechnology and beyond.
Chemical Society Reviews
10.1039/d0cs01492c.
(In press).
|
|
|
Szijj, P;
Chudasama, V;
(2021)
The renaissance of chemically generated bispecific antibodies.
Nature Reviews Chemistry
, 5
pp. 78-92.
10.1038/s41570-020-00241-6.
|
|
Szpara, R;
Goyder, A;
Porter, MJ;
Hailes, HC;
Sheppard, TD;
(2021)
Regioselective Dehydration of Sugar Thioacetals under Mild Conditions.
Organic Letters
10.1021/acs.orglett.1c00424.
(In press).
|
|
|
Tan, Y;
Xie, R;
Zhao, S;
Lu, X;
Liu, L;
Zhao, F;
Li, C;
... Parkin, IP; + view all
(2021)
Facile Fabrication of Robust Hydrogen Evolution Electrodes under High Current Densities via Pt@Cu Interactions.
Advanced Functional Materials
, Article 2105579. 10.1002/adfm.202105579.
(In press).
|
|
|
Tanner, AJ;
Wen, B;
Ontaneda, J;
Zhang, Y;
Grau-Crespo, R;
Fielding, HH;
Selloni, A;
(2021)
Polaron-Adsorbate Coupling at the TiO₂(110)-Carboxylate Interface.
The Journal of Physical Chemistry Letters
, 12
(14)
pp. 3571-3576.
10.1021/acs.jpclett.1c00678.
|
|
|
Tanner, AJ;
Wen, B;
Zhang, Y;
Liu, L-M;
Fielding, HH;
Selloni, A;
Thornton, G;
(2021)
Photoexcitation of bulk polarons in rutile TiO₂.
Physical Review B
, 103
(12)
, Article L121402. 10.1103/physrevb.103.l121402.
|
|
|
Tapia-Ruiz, N;
Armstrong, AR;
Alptekin, H;
Amores, MA;
Au, H;
Barker, J;
Boston, R;
... Younesi, R; + view all
(2021)
2021 roadmap for sodium-ion batteries.
Journal of Physics: Energy
, 3
(3)
, Article 031503. 10.1088/2515-7655/ac01ef.
|
|
|
Tappan, BA;
Zhu, B;
Cottingham, P;
Mecklenburg, M;
Scanlon, DO;
Brutchey, RL;
(2021)
Crystal Structure of Colloidally Prepared Metastable Ag2Se Nanocrystals.
Nano Letters
, 21
(13)
pp. 5881-5887.
10.1021/acs.nanolett.1c02045.
|
|
Terrill, NJ;
Dent, AJ;
Dobson, B;
Beale, AM;
Allen, L;
Bras, W;
(2021)
Past, present and future—sample environments for materials research studies in scattering and spectroscopy; a UK perspective.
Journal of Physics: Condensed Matter
, 33
(48)
, Article 483002. 10.1088/1361-648X/ac2389.
|
|
|
Thoreau, F;
Chudasama, V;
(2021)
Enabling the next steps in cancer immunotherapy: from antibody-based bispecifics to multispecifics, with an evolving role for bioconjugation chemistry.
RSC Chemical Biology
10.1039/d1cb00082a.
(In press).
|
|
|
Tinker, HR;
Bhide, MA;
Magliocca, E;
Miller, TS;
Knapp, CE;
(2021)
Synthetic tethered silver nanoparticles on reduced graphene oxide for alkaline oxygen reduction catalysis.
Journal of Materials Science
10.1007/s10853-020-05711-2.
(In press).
|
|
|
Tran, T;
Worth, GA;
Robb, MA;
(2021)
Control of nuclear dynamics in the benzene cation by electronic wavepacket composition.
Communications Chemistry
, 4
, Article 48. 10.1038/s42004-021-00485-3.
(In press).
|
|
|
Vamvakeros, A;
Matras, D;
Ashton, TE;
Coelho, AA;
Dong, H;
Bauer, D;
Odarchenko, Y;
... Beale, AM; + view all
(2021)
Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries.
Small Methods
, Article 2100512. 10.1002/smtd.202100512.
(In press).
|
|
|
Vamvakeros, A;
Matras, D;
Jacques, SDM;
di Michiel, M;
Middelkoop, V;
Cong, P;
Price, SWT;
... Beale, AM; + view all
(2021)
Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane.
Catalysis Today
, 364
pp. 242-255.
10.1016/j.cattod.2020.05.045.
|
|
Vassaux, M;
Gopalakrishnan, K;
Sinclair, RC;
Richardson, RA;
Coveney, PV;
(2021)
Accelerating Heterogeneous Multiscale Simulations of Advanced Materials Properties with Graph-Based Clustering.
Advanced Theory and Simulations
, 4
(2)
, Article 2000234. 10.1002/adts.202000234.
|
|
Vassaux, M;
Wan, S;
Edeling, W;
Coveney, PV;
(2021)
Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics Simulation.
Journal of Chemical Theory and Computation
10.1021/acs.jctc.1c00526.
(In press).
|
|
|
Veal, TD;
Scanlon, DO;
Kostecki, R;
Arca, E;
(2021)
Accelerating the development of new solar absorbers by photoemission characterization coupled with density functional theory.
JPhys Energy
, 3
(3)
, Article 032001. 10.1088/2515-7655/abebc9.
|
|
|
Venezia, B;
Panariello, L;
Biri, D;
Shin, J;
Damilos, S;
Radhakrishnan, ANP;
Blackman, C;
(2021)
Catalytic Teflon AF-2400 membrane reactor with adsorbed ex situ synthesized Pd-based nanoparticles for nitrobenzene hydrogenation.
Catalysis Today
, 362
pp. 104-112.
10.1016/j.cattod.2020.03.062.
|
|
Vicente-Rodríguez, M;
Singh, N;
Turkheimer, F;
Peris-Yague, A;
Randall, K;
Veronese, M;
Simmons, C;
... Parker, CA; + view all
(2021)
Resolving the cellular specificity of TSPO imaging in a rat model of peripherally-induced neuroinflammation.
Brain, Behaviour, Immunology
10.1016/j.bbi.2021.05.025.
(In press).
|
|
|
Vijaya Kumar Saroja, AP;
Li, B;
Xu, Y;
(2021)
Hybrid nanostructures for electrochemical potassium storage.
Nanoscale Advances
10.1039/d1na00404b.
(In press).
|
|
|
Voyce, Olivia K;
Isaacs, Mark A;
Harkness-Brennan, Laura J;
Veal, Tim D;
Judson, Dan S;
Motakef, Shariar;
Datta, Amlan;
(2021)
Band offsets of metal oxide contacts on TlBr radiation detectors.
Journal of Applied Physics
, 130
(17)
, Article 175305. 10.1063/5.0063365.
|
|
|
Wan, K;
Liu, Z;
Schroeder, BC;
Chen, G;
Santagiuliana, G;
Papageorgiou, DG;
Zhang, H;
(2021)
Highly stretchable and sensitive self-powered sensors based on the N-Type thermoelectric effect of polyurethane/Na_{x}(Ni-ett)_{n}/graphene oxide composites.
Composites Communications
, 28
, Article 100952. 10.1016/j.coco.2021.100952.
|
|
Wan, S;
Bhati, AP;
Wade, AD;
Alfè, D;
Coveney, PV;
(2021)
Thermodynamic and structural insights into the repurposing of drugs that bind to SARS-CoV-2 main protease.
Molecular Systems Design & Engineering
10.1039/d1me00124h.
(In press).
|
|
|
Wan, S;
Kumar, D;
Ilyin, V;
Al Homsi, U;
Sher, G;
Knuth, A;
Coveney, PV;
(2021)
The effect of protein mutations on drug binding suggests ensuing personalised drug selection.
Scientific Reports
, 11
(1)
, Article 13452. 10.1038/s41598-021-92785-w.
|
|
|
Wan, S;
Sinclair, RC;
Coveney, PV;
(2021)
Uncertainty quantification in classical molecular dynamics.
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
, 379
(2197)
, Article 20200082. 10.1098/rsta.2020.0082.
|
|
|
Wang, D;
Li, Y;
Cope, HA;
Li, X;
He, P;
Liu, C;
Li, G;
... Gu, AZ; + view all
(2021)
Intracellular polyphosphate length characterization in polyphosphate accumulating microorganisms (PAOs): Implications in PAO phenotypic diversity and enhanced biological phosphorus removal performance.
Water Research
, 206
, Article 117726. 10.1016/j.watres.2021.117726.
|
|
Wang, H;
He, SA;
Cui, Z;
Xu, C;
Zhu, J;
Liu, Q;
He, G;
... Zou, R; + view all
(2021)
Enhanced kinetics and efficient activation of sulfur by ultrathin MXene coating S-CNTs porous sphere for highly stable and fast charging lithium-sulfur batteries.
Chemical Engineering Journal
, 420
, Article 129693. 10.1016/j.cej.2021.129693.
|
|
Wang, M;
Carmalt, CJ;
(2021)
Film Fabrication of Perovskites and their Derivatives for Photovoltaic Applications via Chemical Vapor Deposition.
ACS Applied Energy Materials
10.1021/acsaem.1c02612.
(In press).
|
|
Wang, M;
Sanchez-Perez, C;
Habib, F;
Blunt, MO;
Carmalt, CJ;
(2021)
Scalable Production of Ambient Stable Hybrid Bismuth-based Materials: AACVD of Phenethylammonium Bismuth Iodide Films.
Chemistry: A European Journal
, 27
(36)
pp. 9406-9413.
10.1002/chem.202100774.
|
|
|
Wang, Z;
Wang, G;
Li, W;
Cui, Z;
Wu, J;
Akpinar, I;
Yu, L;
... Hu, J; + view all
(2021)
Loofah activated carbon with hierarchical structures for high-efficiency adsorption of multi-level antibiotic pollutants.
Applied Surface Science
, 550
, Article 149313. 10.1016/j.apsusc.2021.149313.
|
|
Wang, T;
Chutia, A;
Brett, DJL;
Shearing, PR;
He, G;
Chai, G;
Parkin, IP;
(2021)
Palladium alloys used as electrocatalysts for the oxygen reduction reaction.
Energy & Environmental Science
10.1039/d0ee03915b.
(In press).
|
|
|
Warne, EM;
Downes-Ward, B;
Woodhouse, J;
Parkes, MA;
Springate, E;
Pearcy, PAJ;
Zhang, Y;
... Minns, RS; + view all
(2021)
Photodissociation dynamics of methyl iodide across the A-band probed by femtosecond extreme ultraviolet photoelectron spectroscopy.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 54
(13)
, Article 134003. 10.1088/1361-6455/ac08f3.
|
|
|
Watts, TA;
Price, LS;
Price, SL;
Niederberger, SM;
Bertke, JA;
Swift, JA;
(2021)
The Crystal Structure of 5-Aminouracil and the Ambiguity of Alternative Polymorphs.
Israel Journal of Chemistry
, 61
(9-10)
pp. 590-597.
10.1002/ijch.202100062.
|
|
Wei, R;
Lu, Y;
Xu, Y;
(2021)
The role of oxygen vacancies in metal oxides for rechargeable ion batteries.
Science China Chemistry
, 64
pp. 1826-1853.
10.1007/s11426-021-1103-6.
|
|
Westbrook, RJE;
Macdonald, TJ;
Xu, W;
Lanzetta, L;
Marin-Beloqui, JM;
Clarke, TM;
Haque, SA;
(2021)
Lewis Base Passivation Mediates Charge Transfer at Perovskite Heterojunctions.
Journal of the American Chemical Society
, 143
(31)
pp. 12230-12243.
10.1021/jacs.1c05122.
|
|
Westbrook, RJE;
Xu, W;
Liang, X;
Webb, T;
Clarke, TM;
Haque, SA;
(2021)
2D Phase Purity Determines Charge-Transfer Yield at 3D/2D Lead Halide Perovskite Heterojunctions.
Journal of Physical Chemistry Letters
, 12
(13)
pp. 3312-3320.
10.1021/acs.jpclett.1c00362.
|
|
Williams, GT;
Haynes, CJE;
Fares, M;
Caltagirone, C;
Hiscock, JR;
Gale, PA;
(2021)
Advances in applied supramolecular technologies.
Chemical Society Reviews
10.1039/d0cs00948b.
(In press).
|
|
|
Willis, J;
Scanlon, DO;
(2021)
Latest directions in p-type transparent conductor design.
Journal of Materials Chemistry C
10.1039/d1tc02547c.
(In press).
|
|
|
Wilson, RL;
Macdonald, TJ;
Lin, C-T;
Xu, S;
Taylor, A;
Knapp, CE;
Guldin, S;
... Blackman, CS; + view all
(2021)
Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate).
RSC Advances
, 11
(36)
pp. 22199-22205.
10.1039/d1ra03263a.
|
|
|
Woodhouse, JL;
Henley, A;
Lewin, R;
Ward, JM;
Hailes, HC;
Bochenkova, AV;
Fielding, HH;
(2021)
A photoelectron imaging study of the deprotonated GFP chromophore anion and RNA fluorescent tags.
Physical Chemistry Chemical Physics
10.1039/d1cp01901e.
(In press).
|
|
|
Wu, Y;
Zhang, Q;
Xu, Y;
Xu, R;
Li, L;
Li, Y;
Zhang, C;
... Lei, Y; + view all
(2021)
Enhanced Potassium Storage Capability of Two-Dimensional Transition-Metal Chalcogenides Enabled by a Collective Strategy.
ACS Applied Materials & Interfaces
, 13
(16)
pp. 18838-18848.
10.1021/acsami.1c01891.
|
|
Xiong, S;
Lyu, Y;
Davenport, A;
Choy, KL;
(2021)
Chitosan based fibrous absorbents for indoxyl sulfate sorption.
Materials Letters
, 293
, Article 129744. 10.1016/j.matlet.2021.129744.
|
|
Xiong, S;
Lyu, Y;
Davenport, A;
Choy, KL;
(2021)
Sponge-like chitosan based porous monolith for uraemic toxins sorption.
Nanomaterials
, 11
(9)
, Article 2247. 10.3390/nano11092247.
|
|
|
Xu, L;
Campos, LC;
Li, J;
Karu, K;
Ciric, L;
(2021)
Removal of antibiotics in sand, GAC, GAC sandwich and anthracite/sand biofiltration systems.
Chemosphere
, 275
, Article 130004. 10.1016/j.chemosphere.2021.130004.
|
|
Xu, S;
Hao, H;
Chen, Y;
Li, W;
Shen, W;
Shearing, PR;
Brett, DJL;
(2021)
Flexible all-solid-state supercapacitors based on PPy/rGO nanocomposite on cotton fabric.
Nanotechnology
, 32
(30)
, Article 305401. 10.1088/1361-6528/abf9c4.
|
|
Xu, S;
Han, X;
Ma, Y;
Duong, TD;
Lin, L;
Gibson, EK;
Sheveleva, A;
... Schröder, M; + view all
(2021)
Catalytic decomposition of NO2 over a copper-decorated metal–organic framework by non-thermal plasma.
Cell Reports Physical Science
, 2
(2)
, Article 100349. 10.1016/j.xcrp.2021.100349.
|
|
|
Xue, X;
Biferale, L;
Sbragaglia, M;
Toschi, F;
(2021)
A lattice Boltzmann study of particle settling in a fluctuating multicomponent fluid under confinement.
European Physical Journal E
, 44
(11)
, Article 142. 10.1140/epje/s10189-021-00144-4.
|
|
Yang, M;
Choy, KL;
(2021)
A nature-derived, flexible and three dimensional (3D) nano-composite for chronic wounds pH monitoring.
Materials Letters
, 288
, Article 129335. 10.1016/j.matlet.2021.129335.
|
|
Yap, SY;
Frias, B;
Wren, MC;
Schöll, M;
Fox, NC;
Årstad, E;
Lashley, T;
(2021)
Discriminatory ability of next-generation tau PET tracers for Alzheimer's disease.
Brain
10.1093/brain/awab120.
(In press).
|
|
|
Yim, C-M;
Lamoureux, PS;
Mellor, A;
Pang, CL;
Idriss, H;
Pacchioni, G;
Thornton, G;
(2021)
Size and Shape Dependence of the Electronic Structure of Gold Nanoclusters on TiO2.
The Journal of Physical Chemistry Letters
, 12
(34)
pp. 8363-8369.
10.1021/acs.jpclett.1c02167.
|
|
Yu, T;
Li, Z;
Jones, W;
Liu, Y;
He, Q;
Song, W;
Du, P;
... Luo, W; + view all
(2021)
Identifying key mononuclear Fe species for low-temperature methane oxidation.
Chemical Science
, 12
(9)
pp. 3152-3160.
10.1039/d0sc06067d.
|
|
|
Zafar, A;
Din, I;
Ahmed, S;
Bučar, D-K;
Tahir, MN;
Palgrave, RG;
(2021)
Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids.
New Journal of Chemistry
, 45
(30)
pp. 13429-13440.
10.1039/D1NJ01400E.
|
|
Zeinalipour-Yazdi, CD;
Hargreaves, JSJ;
Laassiri, S;
Catlow, CRA;
(2021)
A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory.
Royal Society Open Science
, 8
(11)
, Article 210952. 10.1098/rsos.210952.
|
|
|
Zhang, Feng;
Gutierrez, Ramón A;
Lustemberg, Pablo G;
Liu, Zongyuan;
Rui, Ning;
Wu, Tianpin;
Ramírez, Pedro J;
... Rodriguez, José A; + view all
(2021)
Metal–Support Interactions and C1 Chemistry: Transforming Pt-CeO2 into a Highly Active and Stable Catalyst for the Conversion of Carbon Dioxide and Methane.
ACS Catalysis
, 11
(3)
pp. 1613-1623.
10.1021/acscatal.0c04694.
|
|
Zhang, L;
Ge, L;
He, G;
Tian, Z;
Huang, J;
Wang, J;
Brett, DJL;
... Liu, T; + view all
(2021)
Tuning the Linkers in Polymer-Based Cathodes to Realize High Sulfur Content and High-Performance Potassium–Sulfur Batteries.
The Journal of Physical Chemistry C
, 125
(34)
pp. 18604-18613.
10.1021/acs.jpcc.1c05283.
|
|
Zhang, R;
Chutia, A;
Sokol, AA;
Chadwick, D;
Catlow, CRA;
(2021)
A computational investigation of the adsorption of small copper clusters on the CeO_{2}(110) surface.
Physical Chemistry Chemical Physics
, 23
pp. 19329-19342.
10.1039/d1cp02973h.
|
|
Zhang, S;
Li, ML;
Jiang, M;
Xiao, HY;
Scanlon, DO;
Zu, XT;
(2021)
Formation and migration of vacancy defects in GeSe and SnSe.
Journal of Physics B: Atomic, Molecular and Optical Physics
, 54
(3)
, Article 035003. 10.1088/1361-6455/abd9fd.
|
|
Zhang, Y;
Li, B;
Wang, Z;
Tian, S;
Liu, B;
Zhao, X;
Li, N;
... Wang, S; + view all
(2021)
Facile Preparation of Zn₂V₂O₇–VO₂ Composite Films with Enhanced Thermochromic Properties for Smart Windows.
ACS Applied Electronic Materials
, 3
(5)
pp. 2224-2232.
10.1021/acsaelm.1c00176.
|
|
Zhang, Z;
J. R. Wells, C;
Davies, G-L;
Williams, GR;
(2021)
The effect of formulation morphology on stimuli-triggered co-delivery of chemotherapeutic and MRI contrast agents.
International Journal of Pharmaceutics
, 609
, Article 121155. 10.1016/j.ijpharm.2021.121155.
|
|
|
Zhang, Z;
Said, S;
Smith, K;
Zhang, YS;
He, G;
Jervis, R;
Shearing, PR;
... Brett, DJL; + view all
(2021)
Dendrite suppression by anode polishing in zinc-ion batteries.
Journal of Materials Chemistry A
, 27
(9)
pp. 15355-15362.
10.1039/d1ta02682h.
|
|
|
Zhao, Fei;
Chen, Jing;
Qiao, Jin;
Lu, Yangbin;
Zhang, Xiaoning;
Mao, Hui;
Lu, Shiyao;
... Dai, Long; + view all
(2021)
Chemo- and Regioselective Synthesis of Functionalized 1H-imidazo[1,5-a]indol-3(2H)-ones via a Redox-Neutral Rhodium(III)-Catalyzed [4+1] Annulation between Indoles and Alkynes.
Advanced Synthesis & Catalysis (ASC)
, 363
(18)
pp. 4380-4389.
10.1002/adsc.202100555.
|
|
Zhao, Fei;
Gong, Xin;
Lu, Yangbin;
Qiao, Jin;
Jia, Xiuwen;
Ni, Hangcheng;
Wu, Xiaowei;
(2021)
Additive-Controlled Divergent Synthesis of Tetrasubstituted 1,3-Enynes and Alkynylated 3H-Pyrrolo[1,2-a]indol-3-ones via Rhodium Catalysis.
Organic Letters
, 23
(3)
pp. 727-733.
10.1021/acs.orglett.0c03950.
|
|
Zhao, Fei;
Qiao, Jin;
Lu, Yangbin;
Zhang, Xiaoning;
Dai, Long;
Gong, Xin;
Mao, Hui;
... Liu, Siyu; + view all
(2021)
Rh(III)-Catalyzed Divergent Synthesis of Alkynylated Imidazo[1,5-a]indoles and α,α-Difluoromethylene Tetrasubstituted Alkenes.
Organic Letters
, 23
(15)
pp. 5766-5771.
10.1021/acs.orglett.1c01929.
|
|
Zhao, Fei;
Qiao, Jin;
Lu, Yangbin;
Zhang, Xiaoning;
Dai, Long;
Liu, Siyu;
Ni, Hangcheng;
... Lu, Shiyao; + view all
(2021)
Redox-Neutral Rhodium(III)-Catalyzed Chemospecific and Regiospecific [4+1] Annulation between Indoles and Alkenes for the Synthesis of Functionalized Imidazo[1,5-a]indoles.
The Journal of Organic Chemistry
, 86
(15)
pp. 10591-10607.
10.1021/acs.joc.1c01256.
|
|
Zhao, Fei;
Zhou, Zhi;
Lu, Yangbin;
Qiao, Jin;
Zhang, Xiaoning;
Gong, Xin;
Liu, Siyu;
... Yi, Wei; + view all
(2021)
Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study.
ACS Catalysis
, 11
(22)
pp. 13921-13934.
10.1021/acscatal.1c03846.
|
|
Zhao, J;
Méndez-Sánchez, D;
Roddan, R;
Ward, JM;
Hailes, HC;
(2021)
Norcoclaurine Synthase-Mediated Stereoselective Synthesis of 1,1'-Disubstituted, Spiro- and Bis-Tetrahydroisoquinoline Alkaloids.
ACS Catalysis
, 11
(1)
pp. 131-138.
10.1021/acscatal.0c04704.
|
|
Zhao, S;
Yang, M;
Tan, Y;
Brett, DJL;
He, G;
Parkin, IP;
(2021)
Facile room-temperature synthesis of cobalt sulphide for efficient oxygen evolution reaction.
Multifunctional Materials
, 4
(2)
, Article 025001. 10.1088/2399-7532/abfeb8.
|
|
Zhao, S;
Xie, R;
Kang, L;
Yang, M;
He, X;
Li, W;
Wang, R;
... Parkin, IP; + view all
(2021)
Enhancing Hydrogen Evolution Electrocatalytic Performance in Neutral Media via Nitrogen and Iron Phosphide Interactions.
Small Science
, 1
(7)
, Article 2100032. 10.1002/smsc.202100032.
|
|
|
Zhou, Q;
Wang, L;
Li, W;
Zhao, K;
Liu, M;
Wu, Q;
Yang, Y;
... Sun, X; + view all
(2021)
Sodium Superionic Conductors (NASICONs) as Cathode Materials for Sodium-Ion Batteries.
Electrochemical Energy Reviews
, 4
pp. 793-823.
10.1007/s41918-021-00120-8.
|
|
Zhu, B;
Lu, Z;
Pickard, CJ;
Scanlon, D;
(2021)
Accelerating Cathode Material Discovery through Ab Initio Random Structure Searching.
APL Materials
, Article 121111. 10.1063/5.0076220.
|
|
Zwijnenburg, MA;
(2021)
The effect of particle size on the optical and electronic properties of magnesium oxide nanoparticles.
Physical Chemistry Chemical Physics
, 23
(38)
pp. 21579-21590.
10.1039/d1cp02683f.
|
|
Proceedings paper
|
García, LP;
Selin, M;
Arzola, AV;
Volpe, G;
Magazzú, A;
Castillo, IP;
Volpe, G;
(2021)
FORMA and BEFORE: Expanding applications of optical tweezers.
In:
Proceedings of the Optical Manipulation and Its Applications 2021.
(pp. pp. 1-2).
OSA
|
|
Glass, D;
Cortes, E;
Quesada-Cabrera, R;
Parkin, IP;
Maier, SA;
(2021)
Generating, probing and utilising photo-induced surface oxygen vacancies for trace molecular detection.
In:
2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC).
IEEE: Munich, Germany.
|
|
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Hele, T;
(2021)
On the electronic structure of alternant conjugated organic radicals for light-emitting diode applications.
In:
Proceedings Volume 11799, Physical Chemistry of Semiconductor Materials and Interfaces XX; 117991A (2021).
SPIE: San Diego, California, United States.
|
|
|
Omori, N;
Mosca, S;
Lezcano-Gonzalez, I;
Robinson, IK;
Li, L;
Greenaway, AG;
Collier, P;
... Candeo, A; + view all
(2021)
A Multimodal Label-Free Imaging Study of Zeolite Crystals.
In:
2021 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference (CLEO/Europe-EQEC.
IEEE
(In press).
|
|
|
Saadi, AA;
Alfe, D;
Babuji, Y;
Bhati, A;
Blaiszik, B;
Brace, A;
Brettin, T;
... Yin, J; + view all
(2021)
IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads.
In:
Proceedings of ICPP 2021: 50th International Conference on Parallel Processing.
Association for Computing Machinery (ACM): New York, NY, USA.
|
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Report
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Jaggers, Ross;
(2021)
Decarbonisation: materials and circularity challenges for clean technologies - the role of critical raw materials on reaching net zero emissions.
Royal Society of Chemistry: London, UK.
|
Conference item
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Habib, Faiza;
Tocher, Derek A;
Carmalt, Claire J;
(2021)
Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method.
Presented at: UNSPECIFIED.
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Hilborne, Vicky;
(2021)
You reap what you sow.
Presented at: Community for Analytical Measurement Science (CAMS) Conference 2021, Online conference.
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Potts, Stephen E;
Kelly, Mike;
Butorac, Jadranka;
(2021)
Does moving oral presentations online affect students' performance?
Presented at: Variety in Chemistry Education / Physics Higher Education Conference (ViCEPHEC) 2021, Online conference.
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Potts, Stephen E;
Kelly, Mike;
Butorac, Jadranka;
(2021)
Moving 4th-Year M.Sci. Symposia Online: Challenges and Opportunities.
Presented at: UCL Education Conference 2021, Online conference.
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Thesis
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Ahmad, Katya;
(2021)
Ensemble-Based Coarse-Grained Molecular Dynamics Simulations of Multifunctional DNA Nanopores.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Ambroz, Filip;
(2021)
Structural and Surface Modifications of Nanomaterials for Energy Applications.
Doctoral thesis (Eng.D), UCL (University College London).
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Armenta Butt, Sam;
(2021)
The Reactions of Dications with Neutral Species: Understanding Planetary Ionospheres.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Chapman-Fortune, John Maurice;
(2021)
Functional silica films: preparation and applications of porous films produced from waterglass.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Christopoulou, Georgia;
(2021)
Developing and applying efficient DD-vMCG method for nonadiabatic simulations.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Colville, Ben W.F.;
(2021)
Studies Towards Nucleic Acids at the Origins of Life.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Cowen, Lewis Matthew;
(2021)
N-type organic semiconductors and conductors for plastic electronics.
Doctoral thesis (Ph.D), UCL (University College London).
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Douglas, Samuel P;
(2021)
Synthetic, Structural and Decomposition Studies of Aluminium Precursors to Functional Materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Einhorn, Maud;
(2021)
Theoretical insights of novel mixed-anion thermoelectrics.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Fang, Guohao;
(2021)
Multiscale Characterisation of Microstructure and Mechanical Properties of Alkali-Activated Fly Ash-Slag Concrete.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Farmer, Daniela Maria;
(2021)
Understanding the Effect of Caesium Promotion on the Preparation and Activation of Copper-Based Low-Temperature Water-Gas Shift Catalysts.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Footer, Charles J M;
(2021)
Materials discovery of dielectric and magnetic nanomaterials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Galdadas, Ioannis;
(2021)
Understanding the effect of oncogenic mutations on kinases.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Gheorghiu, Alexander;
(2021)
Ensemble-based multiscale modelling of DNA base pair tautomerism in the absence and presence of external electric fields.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Groves, Alexandra Rose;
(2021)
High Throughput Synthesis and Discovery of Sustainable Oxygen Reduction Reaction (ORR) and Oxygen Evolution Reaction (OER) Catalysts.
Doctoral thesis (Ph.D), UCL (University College London).
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Heath-Apostolopoulos, Isabelle;
(2021)
Theoretical screening of organic conjugated materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Herbert, Jennifer J.;
(2021)
Real space analysis of operando X-ray spectroscopy and scattering studies of Cobalt Fischer-Tropsch Synthesis catalysts.
Doctoral thesis (Eng.D), UCL (University College London).
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Hobson, Katie;
(2021)
Exploring the Synthesis, Structure and Reactivity of a Series of Aluminium Amidinates.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Hou, Qing;
(2021)
Theory of Defects in n-Type Transparent Conducting Oxides.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Javaid, Faiza;
(2021)
Appraisal of Leucine-rich alpha-2-glycoprotein 1 (LRG1) as a target for a potential antibody–drug conjugate (ADC).
Doctoral thesis (Ph.D), UCL (University College London).
|
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Li, Diyuan;
(2021)
Developing New Methodologies For Electro-Organic Chemistry.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Li, Jianwei;
(2021)
Vanadium oxides and their derivatives as superb cathodes for aqueous zinc ion batteries.
Doctoral thesis (Ph.D), UCL (Univerisity College London).
|
|
Lunn, Richard David James;
(2021)
Using Metal-Organic Frameworks to Determine the Crystal Structures of Non-Crystalline Compounds via the Crystalline Sponge Method.
Doctoral thesis (Ph.D), UCL (University College London).
|
 |
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Luo, Yi;
(2021)
Towards Understanding the Synthesis and Reactivity of Alkynyl Sulfonamides.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Marchello, G;
(2021)
Computer Vision Approaches to Liquid-Phase Transmission Electron Microscopy.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Martin, Liam Thomas;
(2021)
The Synthesis and Evaluation of N-Heterocycles as Antitubercular Agents.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Mears, Kristian Luke;
(2021)
The Synthesis and Reactivity of Mixed-Metal Precursors towards Oxide Materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Mehta, Rushita;
(2021)
Computational Study of Acid-Catalyzed Reactions in Zeolites.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Miao, Tina Jingyan;
(2021)
Time resolved absorption and vis-NIR spectroscopic investigation of heterogeneous photocatalysts.
Doctoral thesis (Eng.D), UCL (University College London).
|
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Patel, Anand Manojkumar;
(2021)
Synthesis and anion photoelectron spectroscopy studies of oxyluciferins and oxyinfraluciferins.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Rahim, Warda;
(2021)
Computationally Driven Discovery of Complex Oxide Materials for Thermoelectric Applications.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Rashidi, Abdul Ghaffar;
(2021)
Computational Investigation of Crystalline and Amorphous Borosilicates.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Ruiz Gonzalez, Antonio Rafael;
(2021)
Development of miniaturised ion-selective sensors using thin-film nanostructured materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Schmidt, Alexis Oliver;
(2021)
Synthesis and characterisation of nanoporous and core-shell zeotype materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Sener, M. Emre;
(2021)
Surface Modification and Metal Printing Using Atmospheric Pressure Plasma.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Sola Barrado, María Belén;
(2021)
Combinatorial Intracellular Delivery Screening of Anticancer Drugs.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Talewar, Sukhpreet Kaur;
(2021)
Probing Structure and Dynamics of Amorphous Ice with Small-Molecule Nanoprobes.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Tanner, Alexander Jeffrey;
(2021)
Photoemission Study of Polaronic Defect States in TiO2.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Tinker, Henry Robert;
(2021)
Novel Synthetic Routes to Carbon Composite Electrochemical Materials.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Van Haeften, Alice;
(2021)
Developing and applying methods to simulate a charge transfer from a dye to a semiconductor using quantum dynamics.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Walker, Oliver;
(2021)
A rapid and low-cost novel biosensor for the detection of early-stage chronic kidney disease.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Wall, Archie;
(2021)
Novel approaches to site-selective protein modification using next-generation maleimides.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Wang, Yu;
(2021)
Design and use of de novo cascades for new benzylisoquinoline alkaloid biosynthesis.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Whitehouse, William L.;
(2021)
Interfacing DNA Nanostructures with Biology.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Williams, Oscar;
(2021)
Modification of Ti02 surfaces to investigate catalytic properties.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Wu, Ke;
(2021)
Development of antimicrobial ultra high molecular weight polyethylene materials for prosthetic joint application.
Doctoral thesis (Ph.D), UCL (University College London).
|
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Yang, Manni;
(2021)
Smart dressings based on bacterial cellulose for chronic wounds healing and monitoring.
Doctoral thesis (Ph.D), UCL (University College London).
|
|
Zhu, Yiyun;
(2021)
Aerosol-Assisted Chemical Vapour Deposition (AACVD) of Silver Nanoparticle Decorated Tungsten Oxide Nanoneedle for Use in Oxygen Gas Sensing.
Doctoral thesis (Ph.D), UCL (University College London).
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