Browse by UCL Departments and Centres
A
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.
|
Ahmad, Katya;
(2021)
Ensemble-Based Coarse-Grained Molecular Dynamics Simulations of Multifunctional DNA Nanopores.
Doctoral thesis (Ph.D), UCL (University College London).
|
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.
|
Ambroz, Filip;
(2021)
Structural and Surface Modifications of Nanomaterials for Energy Applications.
Doctoral thesis (Eng.D), UCL (University College London).
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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).
|
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).
|
Armenta Butt, Sam;
(2021)
The Reactions of Dications with Neutral Species: Understanding Planetary Ionospheres.
Doctoral thesis (Ph.D), UCL (University College London).
|
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.
|
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.
|
B
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).
|
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.
|
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).
|
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.
|
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).
|
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).
|
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.
|
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).
|
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).
|
C
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).
|
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).
|
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).
|
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).
|
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.
|
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.
|
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).
|
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).
|
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.
|
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).
|
Christopoulou, Georgia;
(2021)
Developing and applying efficient DD-vMCG method for nonadiabatic simulations.
Doctoral thesis (Ph.D), UCL (University College London).
|
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, 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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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).
|
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).
|
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.
|
Cowen, Lewis Matthew;
(2021)
N-type organic semiconductors and conductors for plastic electronics.
Doctoral thesis (Ph.D), UCL (University College London).
|
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).
|
D
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).
|
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.
|
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).
|
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.
|
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
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Degradation of Layered Oxide Cathode in a Sodium Battery: A Detailed Investigation by X-Ray Tomography at the Nanoscale.
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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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Liu, Qiufen;
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New Bifunctional Chelators Incorporating Dibromomaleimide Groups for Radiolabeling of Antibodies with Positron Emission Tomography Imaging Radioisotopes.
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Understanding the Effect of Caesium Promotion on the Preparation and Activation of Copper-Based Low-Temperature Water-Gas Shift Catalysts.
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Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]₂ Catalysts.
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Developing N-Rich Carbon from C₃N₄-Polydopamine Composites for Efficient Oxygen Reduction Reaction.
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Materials discovery of dielectric and magnetic nanomaterials.
Doctoral thesis (Ph.D), UCL (University College London).
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Mariano, A;
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The Buckling Spectra of Nanoparticle Surfactant Assemblies.
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Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics.
Journal of Chemical Theory and Computation
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Photocatalytic syngas production using conjugated organic polymers.
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Intra-operative Raman spectroscopy and ex vivo Raman mapping for assessment of cartilage degradation.
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Understanding the effect of oncogenic mutations on kinases.
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Validation of a combined image derived input function and venous sampling approach for the quantification of [18F]GE-179 PET binding in the brain.
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The influence of external electric fields on proton transfer tautomerism in the guanine-cytosine base pair.
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Ensemble-based multiscale modelling of DNA base pair tautomerism in the absence and presence of external electric fields.
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Probing the Role of Atomic Defects in Photocatalytic Systems through Photoinduced Enhanced Raman Scattering.
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Micro-solvated DMABN: Excited state quantum dynamics and dual fluorescence spectra.
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Combined Experimental and Theoretical Study of the Competitive Absorption of CO2 and NO2 by a Superbase Ionic Liquid.
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Ce=O Terminated CeO 2.
Angewandte Chemie
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Ce=O Terminated CeO2.
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VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations.
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Quasi self-inclusion of a 1-D coordination polymer within a 2-D hydrogen-bonded grid: a chaperone effect.
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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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Quantum dynamics with ab initio potentials.
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Self-activated cathode substrates in rechargeable zinc–air batteries.
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Alleviation of Dendrite Formation on Zinc Anodes via Electrolyte Additives.
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Phosphorus-Doped CuCo₂O₄ Oxide with Partial Amorphous Phase as a Robust Electrocatalyst for the Oxygen Evolution Reaction.
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Bimodal polarons as a function of morphology in high efficiency polymer/acceptor blends for organic photovoltaics.
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Encapsulations of terpenes, aromatic and non-aromatic compound in metal-organic framework via the crystalline sponge method.
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Investigating the performance of a novel pH and cathepsin B sensitive, stimulus-responsive nanoparticle for optimised sonodynamic therapy in prostate cancer.
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Site-selective lysine conjugation methods and applications towards antibody-drug conjugates.
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Experimental and Theoretical Study of the Electronic Structures of Lanthanide Indium Perovskites LnInO₃.
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Conductive polymer composites cathodes for rechargeable aqueous Zn-ion batteries: A mini-review.
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Enhancing the Electrochemical Performance of Sodium-Ion Batteries by Building Optimized NiS2/NiSe2 Heterostructures.
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Theoretical screening of organic conjugated materials.
Doctoral thesis (Ph.D), UCL (University College London).
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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.
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Depletion-Induced Chiral Chain Formation of Magnetic Spheres.
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Alkaloids Used as Medicines: Structural Phytochemistry Meets Biodiversity—An Update and Forward Look.
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Water-Repellent TiO₂-Organic Dye-Based Air Filters for Efficient Visible-Light-Activated Photochemical Inactivation against Bioaerosols.
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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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You reap what you sow.
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Exploring the Synthesis, Structure and Reactivity of a Series of Aluminium Amidinates.
Doctoral thesis (Ph.D), UCL (University College London).
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Aluminum Amidinates: Insights into Alkyne Hydroboration.
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The Interplay of Interstitial and Substitutional Copper in Zinc Oxide.
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Theory of Defects in n-Type Transparent Conducting Oxides.
Doctoral thesis (Ph.D), UCL (University College London).
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Navigating Copper-Atom-Pair Structural Effect inside a Porous Organic Polymer Cavity for Selective Hydrogenation of Biomass-Derived 5-Hydroxymethylfurfural.
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Tuning the transition barrier of H-2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 clusters.
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Multienzyme One-Pot Cascades Incorporating Methyltransferases for the Strategic Diversification of Tetrahydroisoquinoline Alkaloids.
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Indium Gallium Oxide Alloys: Electronic Structure, Optical Gap, Surface Space Charge, and Chemical Trends within Common-Cation Semiconductors.
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2021 roadmap for sodium-ion batteries.
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Enabling the next steps in cancer immunotherapy: from antibody-based bispecifics to multispecifics, with an evolving role for bioconjugation chemistry.
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Cycling Rate-Induced Spatially-Resolved Heterogeneities in Commercial Cylindrical Li-Ion Batteries.
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Accelerating Heterogeneous Multiscale Simulations of Advanced Materials Properties with Graph-Based Clustering.
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Novel approaches to site-selective protein modification using next-generation maleimides.
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