Imperial College London

ProfessorDavidKlug

Faculty of Natural SciencesDepartment of Chemistry

Associate Dean for Enterprise for FoNS & Professor
 
 
 
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Contact

 

+44 (0)20 7594 5806d.klug

 
 
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Location

 

Molecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

196 results found

Altschuler GM, Dekker C, McCormack EA, Morris EP, Klug DR, Willison KRet al., 2009, A single amino acid residue is responsible for species-specific incompatibility between CCT and α-actin, FEBS LETTERS, Vol: 583, Pages: 782-786, ISSN: 1873-3468

Journal article

Niu XZ, Zhang B, Marszalek RT, Ces O, Edel JB, Klug DR, deMello AJet al., 2009, Droplet-based compartmentalization of chemically separated components in two-dimensional separations, CHEMICAL COMMUNICATIONS, Pages: 6159-6161, ISSN: 1359-7345

Journal article

Lanigan PMP, Ninkovic T, Chan K, de Mello AJ, Willison KR, Klug DR, Templer RH, Neil MAA, Ces Oet al., 2009, A microfluidic platform for probing single cell plasma membranes using optically trapped Smart Droplet Microtools (SDMs), LAB ON A CHIP, Vol: 9, Pages: 1096-1101, ISSN: 1473-0197

Journal article

Guo R, Fournier F, Donaldson PM, Gardner EM, Gould IR, Klug DRet al., 2009, Detection of complex formation and determination of intermolecular geometry through electrical anharmonic coupling of molecular vibrations using electron-vibration-vibration two-dimensional infrared spectroscopy, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol: 11, Pages: 8417-8421, ISSN: 1463-9076

Journal article

Tang J, Durrant JR, Klug DR, 2008, Mechanism of photocatalytic water splitting in TiO<sub>2</sub>.: Reaction of water with photoholes, importance of charge carrier dynamics, and evidence for four-hole chemistry, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 130, Pages: 13885-13891, ISSN: 0002-7863

Journal article

Fournier F, Gardner EM, Kedra DA, Donaldson PM, Guo R, Butcher SA, Gould IR, Willison KR, Klug DRet al., 2008, Protein identification and quantification by two-dimensional infrared spectroscopy: Implications for an all-optical proteomic platform, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, Vol: 105, Pages: 15352-15357, ISSN: 0027-8424

Journal article

Lanigan PMP, Chan K, Ninkovic T, Templer RH, French PMW, de Mello AJ, Willison KR, Parker PJ, Neil MAA, Ces O, Klug DRet al., 2008, Spatially selective sampling of single cells using optically trapped fusogenic emulsion droplets: a new single-cell proteomic tool, JOURNAL OF THE ROYAL SOCIETY INTERFACE, Vol: 5, Pages: S161-S168, ISSN: 1742-5689

Journal article

Donaldson PM, Guo R, Fournier F, Gardner EM, Gould IR, Klug DRet al., 2008, Decongestion of methylene spectra in biological and non-biological systems using picosecond 2DIR spectroscopy measuring electron-vibration-vibration coupling, 8th International Conference on Femtochemistry and Femtobiology, Publisher: ELSEVIER, Pages: 201-211, ISSN: 0301-0104

Conference paper

Klug DR, 2008, PHYS 163-Revealing a protein active site for structural analysis: An application of triply resonant multidimensional spectroscopy, 235th American-Chemical-Society National Meeting, Publisher: AMER CHEMICAL SOC, ISSN: 0065-7727

Conference paper

Williamson M, Gould IR, Klug DR, Walker RCet al., 2008, COMP 24-Novel QM/MM investigations of enzyme catalysis, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 235, ISSN: 0065-7727

Journal article

Fournier F, Gardner EM, Guo R, Donaldson PM, Barter LMC, Palmer DJ, Barnett CJ, Willison KR, Gould IR, Klug DRet al., 2008, Optical fingerprinting of peptides using two-dimensional infrared spectroscopy: Proof of principle, ANALYTICAL BIOCHEMISTRY, Vol: 374, Pages: 358-365, ISSN: 0003-2697

Journal article

Donaldson PM, Guo R, Fournier F, Gardner EM, Barter LMC, Barnett CJ, Gould IR, Klug DR, Palmer DJ, Willison KRet al., 2007, Direct identification and decongestion of Fermi resonances by control of pulse time ordering in two-dimensional IR spectroscopy (vol 127, art no. 114513, 2007), JOURNAL OF CHEMICAL PHYSICS, Vol: 127, ISSN: 0021-9606

Journal article

Barter LMC, Klug DR, Woscholski R, 2007, Does history repeat itself? The emergence of a new discipline (vol 1, pg 737, 2006), ACS CHEMICAL BIOLOGY, Vol: 2, Pages: 271-271, ISSN: 1554-8929

Journal article

Walker RC, Mercer IP, Gould IR, Klug DRet al., 2007, Comparison of basis set effects and the performance of <i>ab initio</i> and DFT methods for probing equilibrium fluctuations, JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol: 28, Pages: 478-490, ISSN: 0192-8651

Journal article

Donaldson PM, Guo R, Fournier F, Gardner EM, Barter LMC, Palmer DJ, Barnett CJ, Willison KR, Gould IR, Klug DRet al., 2007, Direct identification and decongestion of Fermi Resonances by control of pulse time-ordering in 2D-IR Spectroscopy, Journal Of Chemical Physics

Journal article

Hastings G, Durrant JR, Barber J, Porter G, Klug DRet al., 2006, Observation of pheophytin reduction in photosystem two reaction centers using femtosecond transient absorption spectroscopy, The Life and Scientific Legacy of George Porter, Pages: 514-523, ISBN: 9781860946608

Photosystem two reaction centers have been studied using a sensitive femtosecond transient absorption spectrometer. Measurements were performed at 295 K using different excitation wavelengths and excitation intensities which are shown to avoid multiphoton absorption by the reaction centers. Analyses of results collected over a range of time scales and probe wavelengths allowed the resolution of two exponential components in addition to those previously reported [Durrant, J. R., Hastings, G., Hong, Q., Barber, J., Porter, G., & Klug, D. R. (1992) Chem. Phys. Lett. 188, 54-60], plus the long-lived radical pair itself. A 21 -ps component was observed. The process(es) responsible for this component was (were) found to produce bleaching of a pheophytin ground-state absorption band at 545 nm and the simultaneous appearance of a pheophytin anion absorption band at 460 nm resulting in a transient spectrum which was that of the radical pair P680+Ph- This component is assigned to the production of reduced pheophytin. A lower limit of 60% of the final pheophytin reduction was found to occur at this rate. Despite subtle differences in transient spectra, the lifetime and yield of this pheophytin reduction are essentially independent of excitation wavelength within the signal to noise limitations of these experiments. A long-lived species was also observed. This species is produced by those processes which result in the 21-ps component, and it has a spectrum which is found to be independent of excitation wavelength. This spectrum is characteristic of the primary radical pair state P680+Ph-. In addition, a 200-ps component was found which is tentatively assigned to a slow energy-transfer/trapping process. This component was absent if P680 was excited directly and is therefore not integral to primary radical pair formation. Overall, it is concluded that the rate of pheophytin reduction is limited to (21 ps)-1, even when P680 is directly excited.

Book chapter

Barter LMC, Klug DR, Woscholski R, 2006, Does history repeat itself? The emergence of a new discipline, ACS CHEMICAL BIOLOGY, Vol: 1, Pages: 737-740, ISSN: 1554-8929

Journal article

Barter LMC, Klug DR, 2005, A unified picture of energy and electron transfer in primary photosynthesis, CHEMICAL PHYSICS, Vol: 319, Pages: 308-315, ISSN: 0301-0104

Journal article

Altschuler GM, Klug DR, Willison KR, 2005, Unfolding energetics of G-α-actin:: A discrete intermediate can be re-folded to the native state by CCT, JOURNAL OF MOLECULAR BIOLOGY, Vol: 353, Pages: 385-396, ISSN: 0022-2836

Journal article

Cho BM, Walker RC, Amer H, Mercer I, Klug DR, Gould IRet al., 2005, Effect of adiabaticity on electron dynamics in zinc myoglobin, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 109, Pages: 5954-5961, ISSN: 1520-6106

Journal article

Haque SA, Palomares E, Cho BM, Green ANM, Hirata N, Klug DR, Durrant JRet al., 2005, Charge separation versus recombination in dye-sensitized nanocrystalline solar cells: the minimization of kinetic redundancy, Journal of the American Chemical Society, Vol: 127, Pages: 3456-3462, ISSN: 0002-7863

Journal article

Cho BM, Walker RC, Mercer IP, Gould IR, Klug DRet al., 2005, Ultrafast relaxation inside proteins: calculation and measurement of electron-vibration coupling in enzymes, Berlin, 14th international conference on ultrafast phenomena, Niigata, Japan, 25 - 30 July 2004, Publisher: Springer-Verlag Berlin, Pages: 622-624

Conference paper

Barter LMC, van Grondelle R, Klug DR, 2005, Energy trapping and equilibration: a balance of regulation and efficiency, Photosystem II: the light-driven water: plastoquinone oxidoreductase, Editors: Wydrzynski, Satoh, Wydrzynski, Satoh, Publisher: Springer, Pages: 491-514, ISBN: 9781402042492

Book chapter

Cho BM, Walker RC, Mercer IP, Gould IR, Klug DRet al., 2004, Ultrafast relaxation inside proteins: Calculation and measurement of electron-vibration coupling in enzymes, Pages: 622-624, ISSN: 0172-6218

Electron-vibration coupling in alcohol dehydrogenase and zinc substituted myoglobin was calculated using a quantum mechanics/molecular mechanics method. Good agreement with experimental measurements demonstrates the viability of the method.

Conference paper

Barter LMC, Durrant JR, Klug DR, 2003, A quantitative structure-function relationship for the Photosystern II reaction center: Supermolecular behavior in natural photosynthesis, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, Vol: 100, Pages: 946-951, ISSN: 0027-8424

Journal article

Jeans C, Schilstra MJ, Ray N, Husain S, Minagawa J, Nugent JHA, Klug DRet al., 2002, Replacement of tyrosine D with phenylalanine affects the normal proton transfer pathways for the reduction of P680<SUP>+</SUP> in oxygen-evolving Photosystem II particles from <i>Chlamydomonas</i>, BIOCHEMISTRY, Vol: 41, Pages: 15754-15761, ISSN: 0006-2960

Journal article

Tachibana Y, Nazeeruddin MK, Grätzel M, Klug DR, Durrant JRet al., 2002, Electron injection kinetics for the nanocrystalline TiO<sub>2</sub> films sensitised with the dye (Bu<sub>4</sub>N)<sub>2</sub>Ru(dcbpyH)<sub>2</sub>(NCS)<sub>2</sub>, 10th International Conference on Unconventional Photoactive Systems, Publisher: ELSEVIER, Pages: 127-132, ISSN: 0301-0104

Conference paper

Walker RC, de Souza MM, Mercer IP, Gould IR, Klug DRet al., 2002, Large and fast relaxations inside a protein: Calculation and measurement of reorganization energies in alcohol dehydrogenase, JOURNAL OF PHYSICAL CHEMISTRY B, Vol: 106, Pages: 11658-11665, ISSN: 1520-6106

Journal article

Barber J, Fromme P, Dismukes C, Junge W, van Grondelle R, Klug D, Diner Bet al., 2002, General discussion summary, PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES B-BIOLOGICAL SCIENCES, Vol: 357, Pages: 1367-1367, ISSN: 0962-8436

Journal article

Liou JW, Mulet X, Klug DR, 2002, Absolute measurement of phosphorylation levels in a biological membrane using atomic force microscopy: The creation of phosphorylation maps, BIOCHEMISTRY, Vol: 41, Pages: 8535-8539, ISSN: 0006-2960

Journal article

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