Research Output 1964 2019

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Review article
2019
Open Access

FCC Physics Opportunities: Future Circular Collider Conceptual Design Report Volume 1

The FCC Collaboration, 30 Jun 2019, In : European Physical Journal C. 79, 6, 474.

Research output: Contribution to journalReview article

Open Access
File
3 Citations (Scopus)

Medium Chain Carboxylic Acids from Complex Organic Feedstocks by Mixed Culture Fermentation

De Groof, V., Coma, M., Arnot, T., Leak, D. J. & Lanham, A. B., 22 Jan 2019, In : Molecules. 24, 3, 398.

Research output: Contribution to journalReview article

Open Access

Platinum as an electrocatalyst: effect of morphological aspects of Pt/Pt-based materials

Akbar, S., Anwar, A., Noon, M. Z., Elliott, J. M. & Squires, A. M., 2 Jan 2019, In : Materials Science and Technology (United Kingdom). 35, 1, p. 1-11 11 p.

Research output: Contribution to journalReview article

1 Citation (Scopus)

The role of analytical chemistry in exposure science: Focus on the aquatic environment

Hernández, F., Bakker, J., Bijlsma, L., de Boer, J., Botero-Coy, A. M., Bruinen de Bruin, Y., Fischer, S., Hollender, J., Kasprzyk-Hordern, B., Lamoree, M., López, F. J., Laak, T. L. T., van Leerdam, J. A., Sancho, J. V., Schymanski, E. L., de Voogt, P. & Hogendoorn, E. A., 1 May 2019, In : Chemosphere. 222, p. 564-583 20 p.

Research output: Contribution to journalReview article

2018
36 Citations (Scopus)

Excited-state intramolecular proton-transfer (ESIPT) based fluorescence sensors and imaging agents

Sedgwick, A. C., Wu, L., Han, H. H., Bull, S. D., He, X. P., James, T. D., Sessler, J. L., Tang, B. Z., Tian, H. & Yoon, J., 26 Nov 2018, In : Chemical Society Reviews. 47, 23, p. 8842-8880 39 p.

Research output: Contribution to journalReview article

Open Access
88 Citations (Scopus)

Machine learning for molecular and materials science

Butler, K. T., Davies, D. W., Cartwright, H., Isayev, O. & Walsh, A., 26 Jul 2018, In : Nature. 559, 7715, p. 547-555 9 p.

Research output: Contribution to journalReview article

Open Access
File
Materials science
Learning systems
Artificial intelligence
Molecules
Direction compound
17 Citations (Scopus)

Molecular Interlayers in Hybrid Perovskite Solar Cells

Deng, W., Liang, X., Kubiak, P. S. & Cameron, P. J., 5 Jan 2018, In : Advanced Energy Materials. 8, 1, p. 1-20 20 p., 1701544.

Research output: Contribution to journalReview article

Solar cells
Molecules
Conversion efficiency
Monolayers
Energy utilization
67 Citations (Scopus)

Molecular logic gates: the past, present and future

Erbas-cakmak, S., Kolemen, S., Sedgwick, A. C., Gunnlaugsson, T., James, T. D., Yoon, J. & Akkaya, E. U., 1 Mar 2018, In : Chemical Society Reviews. 47, 7, p. 2228-2248 21 p.

Research output: Contribution to journalReview article

Open Access
Logic gates
Silicon
Integrated circuits
Tissue
Molecules
2 Citations (Scopus)

Regioselective Transition-Metal-Catalyzed C–H Functionalization of Anilines

Leitch, J. A. & Frost, C. G., 11 Jun 2018, In : Synthesis (Germany). 50, 14, p. 2693-2706

Research output: Contribution to journalReview article

Open Access
File
Aniline Compounds
Aniline
Transition metals
Agrochemicals
Rhodium
7 Citations (Scopus)

The chemistry of PET imaging with zirconium-89

Dilworth, J. R. & Pascu, S. I., 21 Apr 2018, In : Chemical Society Reviews. 47, 8, p. 2554-2571 18 p.

Research output: Contribution to journalReview article

Isotopes
Imaging techniques
Animals
2 Citations (Scopus)

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology

Friedman, R., Khalid, S., Aponte-Santamaría, C., Arutyunova, E., Becker, M., Boyd, K. J., Christensen, M., Coimbra, J. T. S., Concilio, S., Daday, C., van Eerden, F. J., Fernandes, P. A., Gräter, F., Hakobyan, D., Heuer, A., Karathanou, K., Keller, F., Lemieux, M. J., Marrink, S. J., May, E. R. & 15 othersMazumdar, A., Naftalin, R., Pickholz, M., Piotto, S., Pohl, P., Quinn, P., Ramos, M. J., Schiøtt, B., Sengupta, D., Sessa, L., Vanni, S., Zeppelin, T., Zoni, V., Bondar, A-N. & Domene, C., 1 Dec 2018, In : Journal of Membrane Biology. 251, 5-6, p. 609-631 23 p.

Research output: Contribution to journalReview article

Open Access
2017
29 Citations (Scopus)

cemff: A force field database for cementitious materials including validations, applications and opportunities

Mishra, R. K., Mohamed, A. K., Geissbühler, D., Manzano, H., Jamil, T., Shahsavari, R., Kalinichev, A. G., Galmarini, S., Tao, L., Heinz, H., Pellenq, R., van Duin, A. C. T., Parker, S. C., Flatt, R. J. & Bowen, P., 1 Dec 2017, In : Cement and Concrete Research. 102, p. 68-89 22 p.

Research output: Contribution to journalReview article

Parameterization
Silicates
Density functional theory
Minerals
Experiments
4 Citations (Scopus)

Designing porous electronic thin-film devices: Band offsets and heteroepitaxy

Butler, K. T., Hendon, C. H. & Walsh, A., 1 Sep 2017, In : Faraday Discussions. 201, p. 213-225 13 p.

Research output: Contribution to journalReview article

Open Access
Thin film devices
Epitaxial growth
thin films
electronics
Electrodes
9 Citations (Scopus)

Fluorescence Sensing with Cellulose-Based Materials

Li, M., Li, X., Xiao, H. N. & James, T. D., 1 Dec 2017, In : ChemistryOpen. 6, 6, p. 685-696 12 p.

Research output: Contribution to journalReview article

Open Access
Cellulose
Fluorescence
Sensors
Functional materials
Heavy Metals
219 Citations (Scopus)

Fluorescent chemosensors: The past, present and future

Wu, D., Sedgwick, A. C., Gunnlaugsson, T., Akkaya, E. U., Yoon, J. & James, T. D., 7 Dec 2017, In : Chemical Society Reviews. 46, 23, p. 7105-7123 19 p.

Research output: Contribution to journalReview article

Open Access
Physiology
Biotechnology
Ions
Sensors
Direction compound
48 Citations (Scopus)

Heterogeneous catalytic hydrogenation of CO2 by metal oxides: Defect engineering-perfecting imperfection

Jia, J., Qian, C., Dong, Y., Li, Y. F., Wang, H., Ghoussoub, M., Butler, K. T., Walsh, A. & Ozin, G. A., 7 Aug 2017, In : Chemical Society Reviews. 46, 15, p. 4631-4644 14 p.

Research output: Contribution to journalReview article

Carbon Monoxide
Oxides
Hydrogenation
Metals
Carbon Dioxide
38 Citations (Scopus)

Measuring biomarkers in wastewater as a new source of epidemiological information: Current state and future perspectives

Gracia-Lor, E., Castiglioni, S., Bade, R., Been, F., Castrignanò, E., Covaci, A., González-Mariño, I., Hapeshi, E., Kasprzyk-Hordern, B., Kinyua, J., Lai, F. Y., Letzel, T., Lopardo, L., Meyer, M. R., O'Brien, J., Ramin, P., Rousis, N. I., Rydevik, A., Ryu, Y., Santos, M. M. & 6 othersSenta, I., Thomaidis, N. S., Veloutsou, S., Yang, Z., Zuccato, E. & Bijlsma, L., 1 Feb 2017, In : Environment International. 99, p. 131-150 20 p.

Research output: Contribution to journalReview article

Open Access
File
biomarker
wastewater
lifestyle
excretion
urine
41 Citations (Scopus)

Multiplexed photoluminescent sensors: Towards improved disease diagnostics

He, X. P., Hu, X. L., James, T. D., Yoon, J. & Tian, H., 21 Nov 2017, In : Chemical Society Reviews. 46, 22, p. 6687-6696 10 p.

Research output: Contribution to journalReview article

Open Access
Sensors
Biomarkers
Materials science
35 Citations (Scopus)

Perspective: theory and simulation of hybrid halide perovskites

Whalley, L. D., Frost, J. M., Jung, Y. K. & Walsh, A., 14 Jun 2017, In : Journal of Chemical Physics. 146, 22, 220901.

Research output: Contribution to journalReview article

Open Access
perovskites
halides
Lattice vibrations
Heavy ions
metastable state
5 Citations (Scopus)

Recent advances in therapeutic delivery systems of bacteriophage and bacteriophage-encoded endolysins

Hathaway, H., Milo, S., Sutton, J. M. & Jenkins, T. A., 1 Jul 2017, In : Therapeutic Delivery. 8, 7, p. 543-556 14 p.

Research output: Contribution to journalReview article

Open Access
File
Bacteriophages
Multiple Drug Resistance
Bacterial Infections
Virion
Anti-Bacterial Agents
8 Citations (Scopus)

Using flow technologies to direct the synthesis and assembly of materials in solution

Robertson, K., 5 Jan 2017, In : Chemistry Central Journal. 11, 1, 4.

Research output: Contribution to journalReview article

Open Access
File
Biological systems
Crystallization
Nanostructured materials
Microfluidics
Stoichiometry
2016
25 Citations (Scopus)

Organised chaos: Entropy in hybrid inorganic-organic systems and other materials

Butler, K. T., Walsh, A., Cheetham, A. K. & Kieslich, G., 1 Oct 2016, In : Chemical Science. 7, 10, p. 6316-6324 9 p.

Research output: Contribution to journalReview article

Open Access
Chaos theory
Entropy
Hybrid materials
Computational methods
Enthalpy
19 Citations (Scopus)

Pseudocontact shifts from mobile spin labels

Suturina, E. A. & Kuprov, I., 16 Oct 2016, In : Physical Chemistry Chemical Physics. 18, 38, p. 26412-26422 11 p.

Research output: Contribution to journalReview article

Open Access
Spin Labels
Magnetic susceptibility
Probability distributions
Partial differential equations
Anisotropy
12 Citations (Scopus)

Soft nanocomposites: Nanoparticles to tune gel properties

Da Silva, M. A. & Dreiss, C. A., 1 Mar 2016, In : Polymer International. 65, 3, p. 268-279 12 p.

Research output: Contribution to journalReview article

36 Citations (Scopus)

Spin State as a Marker for the Structural Evolution of Natures Water-Splitting Catalyst

Krewald, V., Retegan, M., Neese, F., Lubitz, W., Pantazis, D. A. & Cox, N., 19 Jan 2016, In : Inorganic Chemistry. 55, 2, p. 488-501 14 p.

Research output: Contribution to journalReview article

water splitting
markers
catalysts
Catalysts
Water
2015
79 Citations (Scopus)

Beyond the balz-schiemann reaction: The utility of tetrafluoroborates and boron trifluoride as nucleophilic fluoride sources

Cresswell, A. J., Davies, S. G., Roberts, P. M. & Thomson, J. E., 28 Jan 2015, In : Chemical Reviews. 115, 2, p. 566-611 46 p.

Research output: Contribution to journalReview article

Fluorides
Stereoselectivity
Ions
Pyrolysis
Cations
52 Citations (Scopus)

Catalytic, Stereoselective Dihalogenation of Alkenes: Challenges and Opportunities

Cresswell, A. J., Eey, S. T. C. & Denmark, S. E., 21 Dec 2015, In : Angewandte Chemie-International Edition. 54, 52, p. 15642-15682 41 p.

Research output: Contribution to journalReview article

Alkenes
Olefins
Bearings (structural)
Arsenals
Halogens
50 Citations (Scopus)

Catalytic Stereoselective [2,3]-Rearrangement Reactions

West, T. H., Spoehrle, S. S. M., Kasten, K., Taylor, J. E. & Smith, A. D., 29 Oct 2015, In : ACS Catalysis. 5, 12, p. 7446-7479 34 p.

Research output: Contribution to journalReview article

Catalysts
Substrates
112 Citations (Scopus)

First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets

Atanasov, M., Aravena, D., Suturina, E., Bill, E., Maganas, D. & Neese, F., 15 Apr 2015, In : Coordination Chemistry Reviews. 289-290, 1, p. 177-214 38 p.

Research output: Contribution to journalReview article

Magnetic anisotropy
Electronic structure
Transition metals
Magnets
Hamiltonians
132 Citations (Scopus)

Glucose sensing in supramolecular chemistry

Sun, X. & James, T. D., 12 Aug 2015, In : Chemical Reviews. 115, 15, p. 8001-8037 37 p.

Research output: Contribution to journalReview article

Open Access
21 Citations (Scopus)

Imaging agents

Chang, C. J., Gunnlaugsson, T. & James, T. D., 21 Jul 2015, In : Chemical Society Reviews. 44, 14, p. 4484-4486 3 p.

Research output: Contribution to journalReview article

83 Citations (Scopus)

Probing disease-related proteins with fluorogenic composite materials

He, X. P., Zang, Y., James, T. D., Li, J. & Chen, G. R., 7 Jul 2015, In : Chemical Society Reviews. 44, 13, p. 4239-4248 10 p.

Research output: Contribution to journalReview article

Fluorescence
Biomolecules
Quenching
Composite materials
Carbon Nanotubes
13 Citations (Scopus)

Resolving the manganese oxidation states in the oxygen-evolving catalyst of natural photosynthesis

Krewald, V., Neese, F. & Pantazis, D. A., 1 Nov 2015, In : Israel Journal of Chemistry. 55, 11-12, p. 1219-1232 14 p.

Research output: Contribution to journalReview article

Photosynthesis
Manganese
Oxygen
Quantum chemistry
Oxidation
187 Citations (Scopus)

Sensor Targets

Chang, C. J., Gunnlaugsson, T. & James, T., 7 Jul 2015, In : Chemical Society Reviews. 44, 13, p. 4203 4211 p.

Research output: Contribution to journalReview article

Sensors
2014
51 Citations (Scopus)

Boronic acids for sensing and other applications - a mini-review of papers published in 2013

Lacina, K., Skládal, P. & James, T. D., 18 Oct 2014, In : Chemistry Central Journal. 2014, 8, 60.

Research output: Contribution to journalReview article

Open Access
File
Boronic Acids
Lewis Bases
Cyanides
Fluorides
Labeling
2013
259 Citations (Scopus)

Selective sensing of saccharides using simple boronic acids and their aggregates

Wu, X., Li, Z., Chen, X-X., Fossey, J. S., James, T. D. & Jiang, Y-B., 21 Oct 2013, In : Chemical Society Reviews. 42, 20, p. 8032-8048 17 p.

Research output: Contribution to journalReview article

Boronic Acids
Lectins
Smart sensors
Oligomerization
Glucose
2012
19 Citations (Scopus)
2010
253 Citations (Scopus)

Boron based anion receptors as sensors

Galbraith, E. & James, T., 2010, In : Chemical Society Reviews. 39, 10, p. 3831-3842 12 p.

Research output: Contribution to journalReview article

Boron
Anions
Sensors
Fluorescence
Color
2009
79 Citations (Scopus)

Detection of charge distributions in insulator surfaces

Rezende, C. A., Gouveia, R. F., Da Silva, M. A. & Galembeck, F., 3 Jun 2009, In : Journal of Physics Condensed Matter. 21, 26, p. 1-19 19 p., 263002.

Research output: Contribution to journalReview article

Open Access
2007
108 Citations (Scopus)

Saccharide-selective boronic acid based photoinduced electron transfer (PET) fluorescent sensors

James, T. D., 2007, In : Topics in Current Chemistry. 277, p. 107-152 46 p.

Research output: Contribution to journalReview article

Boronic Acids
Blood
Glucose
Molecules
Electrons
2001

Artificial receptors as chemosensors for carbohydrates

James, T. D. & Shinkai, S., 2001, In : Topics in Current Chemistry. 218, 2002, p. 159-200 42 p.

Research output: Contribution to journalReview article

Artificial Receptors
Boronic Acids
Carbohydrates
Sugars
Sensors