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Understanding the structure and dynamics of hydrogenases by ultrafast and two-dimensional infrared spectroscopy.

Horch M, Schoknecht J, Wrathall SLD, Greetham GM, Lenz O, Hunt NT.

Chem Sci. 2019 Aug 5;10(39):8981-8989. doi: 10.1039/c9sc02851j. eCollection 2019 Oct 21.


Site-Specific Protein Dynamics Probed by Ultrafast Infrared Spectroscopy of a Noncanonical Amino Acid.

Hall CR, Tolentino Collado J, Iuliano JN, Gil AA, Adamczyk K, Lukacs A, Greetham GM, Sazanovich I, Tonge PJ, Meech SR.

J Phys Chem B. 2019 Nov 14;123(45):9592-9597. doi: 10.1021/acs.jpcb.9b09425. Epub 2019 Nov 1.


Uncovering the Early Stages of Domain Melting in Calmodulin with Ultrafast Temperature-Jump Infrared Spectroscopy.

Minnes L, Greetham GM, Shaw DJ, Clark IP, Fritzsch R, Towrie M, Parker AW, Henry AJ, Taylor RJ, Hunt NT.

J Phys Chem B. 2019 Oct 17;123(41):8733-8739. doi: 10.1021/acs.jpcb.9b08870. Epub 2019 Oct 8.


Photochemical or electrochemical bond breaking - exploring the chemistry of (μ2-alkyne)Co2(CO)6 complexes using time-resolved infrared spectroscopy, spectro-electrochemical and density functional methods.

Manton JC, Cerpentier FJR, Harvey EC, Clark IP, Greetham GM, Long C, Pryce MT.

Dalton Trans. 2019 Oct 7;48(39):14642-14652. doi: 10.1039/c9dt03006a.


Measuring proteins in H2O with 2D-IR spectroscopy.

Hume S, Hithell G, Greetham GM, Donaldson PM, Towrie M, Parker AW, Baker MJ, Hunt NT.

Chem Sci. 2019 May 14;10(26):6448-6456. doi: 10.1039/c9sc01590f. eCollection 2019 Jul 14.


Monitoring Base-Specific Dynamics during Melting of DNA-Ligand Complexes Using Temperature-Jump Time-Resolved Infrared Spectroscopy.

Fritzsch R, Greetham GM, Clark IP, Minnes L, Towrie M, Parker AW, Hunt NT.

J Phys Chem B. 2019 Jul 25;123(29):6188-6199. doi: 10.1021/acs.jpcb.9b04354. Epub 2019 Jul 16.


Infrared spectroscopy reveals multi-step multi-timescale photoactivation in the photoconvertible protein archetype dronpa.

Laptenok SP, Gil AA, Hall CR, Lukacs A, Iuliano JN, Jones GA, Greetham GM, Donaldson P, Miyawaki A, Tonge PJ, Meech SR.

Nat Chem. 2018 Aug;10(8):845-852. doi: 10.1038/s41557-018-0073-0. Epub 2018 Jun 11.


Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis.

Shaw DJ, Hill RE, Simpson N, Husseini FS, Robb K, Greetham GM, Towrie M, Parker AW, Robinson D, Hirst JD, Hoskisson PA, Hunt NT.

Chem Sci. 2017 Dec 1;8(12):8384-8399. doi: 10.1039/c7sc03336b. Epub 2017 Oct 16.


Rapid Screening of DNA-Ligand Complexes via 2D-IR Spectroscopy and ANOVA-PCA.

Fritzsch R, Donaldson PM, Greetham GM, Towrie M, Parker AW, Baker MJ, Hunt NT.

Anal Chem. 2018 Feb 20;90(4):2732-2740. doi: 10.1021/acs.analchem.7b04727. Epub 2018 Feb 6.


A 100 kHz Pulse Shaping 2D-IR Spectrometer Based on Dual Yb:KGW Amplifiers.

Donaldson PM, Greetham GM, Shaw DJ, Parker AW, Towrie M.

J Phys Chem A. 2018 Jan 25;122(3):780-787. doi: 10.1021/acs.jpca.7b10259. Epub 2018 Jan 9.


Variation in LOV Photoreceptor Activation Dynamics Probed by Time-Resolved Infrared Spectroscopy.

Iuliano JN, Gil AA, Laptenok SP, Hall CR, Tolentino Collado J, Lukacs A, Hag Ahmed SA, Abyad J, Daryaee T, Greetham GM, Sazanovich IV, Illarionov B, Bacher A, Fischer M, Towrie M, French JB, Meech SR, Tonge PJ.

Biochemistry. 2018 Feb 6;57(5):620-630. doi: 10.1021/acs.biochem.7b01040. Epub 2018 Jan 4.


Ultrafast Wiggling and Jiggling: Ir2(1,8-diisocyanomenthane)42.

Pižl M, Hunter BM, Greetham GM, Towrie M, Záliš S, Gray HB, Vlček A.

J Phys Chem A. 2017 Dec 7;121(48):9275-9283. doi: 10.1021/acs.jpca.7b10215. Epub 2017 Nov 29.


Directing the path of light-induced electron transfer at a molecular fork using vibrational excitation.

Delor M, Archer SA, Keane T, Meijer AJHM, Sazanovich IV, Greetham GM, Towrie M, Weinstein JA.

Nat Chem. 2017 Nov;9(11):1099-1104. doi: 10.1038/nchem.2793. Epub 2017 Jun 19.


Quantifying Secondary Structure Changes in Calmodulin Using 2D-IR Spectroscopy.

Minnes L, Shaw DJ, Cossins BP, Donaldson PM, Greetham GM, Towrie M, Parker AW, Baker MJ, Henry AJ, Taylor RJ, Hunt NT.

Anal Chem. 2017 Oct 17;89(20):10898-10906. doi: 10.1021/acs.analchem.7b02610. Epub 2017 Sep 29.


Photoactivation of the BLUF Protein PixD Probed by the Site-Specific Incorporation of Fluorotyrosine Residues.

Gil AA, Laptenok SP, Iuliano JN, Lukacs A, Verma A, Hall CR, Yoon GE, Brust R, Greetham GM, Towrie M, French JB, Meech SR, Tonge PJ.

J Am Chem Soc. 2017 Oct 18;139(41):14638-14648. doi: 10.1021/jacs.7b07849. Epub 2017 Oct 5.


Photoaquation Mechanism of Hexacyanoferrate(II) Ions: Ultrafast 2D UV and Transient Visible and IR Spectroscopies.

Reinhard M, Auböck G, Besley NA, Clark IP, Greetham GM, Hanson-Heine MWD, Horvath R, Murphy TS, Penfold TJ, Towrie M, George MW, Chergui M.

J Am Chem Soc. 2017 May 31;139(21):7335-7347. doi: 10.1021/jacs.7b02769. Epub 2017 May 18.


Ultrafast 2D-IR and optical Kerr effect spectroscopy reveal the impact of duplex melting on the structural dynamics of DNA.

Hithell G, González-Jiménez M, Greetham GM, Donaldson PM, Towrie M, Parker AW, Burley GA, Wynne K, Hunt NT.

Phys Chem Chem Phys. 2017 Apr 19;19(16):10333-10342. doi: 10.1039/c7cp00054e.


Excited-State Properties of Protochlorophyllide Analogues and Implications for Light-Driven Synthesis of Chlorophyll.

Heyes DJ, Hardman SJ, Mansell D, Ní Cheallaigh A, Gardiner JM, Johannissen LO, Greetham GM, Towrie M, Scrutton NS.

J Phys Chem B. 2017 Feb 16;121(6):1312-1320. doi: 10.1021/acs.jpcb.7b00528. Epub 2017 Feb 7.


2D-IR Spectroscopy Shows that Optimized DNA Minor Groove Binding of Hoechst33258 Follows an Induced Fit Model.

Ramakers LA, Hithell G, May JJ, Greetham GM, Donaldson PM, Towrie M, Parker AW, Burley GA, Hunt NT.

J Phys Chem B. 2017 Feb 16;121(6):1295-1303. doi: 10.1021/acs.jpcb.7b00345. Epub 2017 Feb 1.


Femtosecond to Millisecond Dynamics of Light Induced Allostery in the Avena sativa LOV Domain.

Gil AA, Laptenok SP, French JB, Iuliano JN, Lukacs A, Hall CR, Sazanovich IV, Greetham GM, Bacher A, Illarionov B, Fischer M, Tonge PJ, Meech SR.

J Phys Chem B. 2017 Feb 9;121(5):1010-1019. doi: 10.1021/acs.jpcb.7b00088. Epub 2017 Jan 25.


Photochemistry of framework-supported M(diimine)(CO)3X complexes in three-dimensional lithium carboxylate metal-organic frameworks: monitoring the effect of framework cations.

Reade TJ, Murphy TS, Calladine JA, Horvath R, Clark IP, Greetham GM, Towrie M, Lewis W, George MW, Champness NR.

Philos Trans A Math Phys Eng Sci. 2017 Jan 13;375(2084). pii: 20160033.


Long-Range Vibrational Dynamics Are Directed by Watson-Crick Base Pairing in Duplex DNA.

Hithell G, Shaw DJ, Donaldson PM, Greetham GM, Towrie M, Burley GA, Parker AW, Hunt NT.

J Phys Chem B. 2016 May 5;120(17):4009-18. doi: 10.1021/acs.jpcb.6b02112. Epub 2016 Apr 22.


A 100 kHz Time-Resolved Multiple-Probe Femtosecond to Second Infrared Absorption Spectrometer.

Greetham GM, Donaldson PM, Nation C, Sazanovich IV, Clark IP, Shaw DJ, Parker AW, Towrie M.

Appl Spectrosc. 2016 Apr;70(4):645-53. doi: 10.1177/0003702816631302. Epub 2016 Feb 17.


Mechanism of the AppABLUF Photocycle Probed by Site-Specific Incorporation of Fluorotyrosine Residues: Effect of the Y21 pKa on the Forward and Reverse Ground-State Reactions.

Gil A, Haigney A, Laptenok SP, Brust R, Lukacs A, Iuliano J, Jeng J, Melief E, Zhao RK, Yoon E, Clark I, Towrie M, Greetham GM, Ng A, Truglio J, French J, Meech SR, Tonge PJ.

J Am Chem Soc. 2016 Jan 27;138(3):926-935. doi: 10.1021/jacs.5b11115. Epub 2016 Jan 15.


Recombination, Solvation and Reaction of CN Radicals Following Ultraviolet Photolysis of ICN in Organic Solvents.

Coulter P, Grubb MP, Koyama D, Sazanovich IV, Greetham GM, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 31;119(52):12911-23. doi: 10.1021/acs.jpca.5b10716. Epub 2015 Dec 17.


Reaction Dynamics of CN Radicals in Acetonitrile Solutions.

Koyama D, Coulter P, Grubb MP, Greetham GM, Clark IP, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 31;119(52):12924-34. doi: 10.1021/acs.jpca.5b10720. Epub 2015 Dec 17.


On the mechanism of vibrational control of light-induced charge transfer in donor-bridge-acceptor assemblies.

Delor M, Keane T, Scattergood PA, Sazanovich IV, Greetham GM, Towrie M, Meijer AJ, Weinstein JA.

Nat Chem. 2015 Sep;7(9):689-95. doi: 10.1038/nchem.2327. Epub 2015 Aug 17.


Vibrational Excitation of Both Products of the Reaction of CN Radicals with Acetone in Solution.

Dunning GT, Preston TJ, Greaves SJ, Greetham GM, Clark IP, Orr-Ewing AJ.

J Phys Chem A. 2015 Dec 17;119(50):12090-101. doi: 10.1021/acs.jpca.5b05624. Epub 2015 Jul 29.


Complete Proton Transfer Cycle in GFP and Its T203V and S205V Mutants.

Laptenok SP, Lukacs A, Gil A, Brust R, Sazanovich IV, Greetham GM, Tonge PJ, Meech SR.

Angew Chem Int Ed Engl. 2015 Aug 3;54(32):9303-7. doi: 10.1002/anie.201503672. Epub 2015 Jun 18.


Multidimensional infrared spectroscopy reveals the vibrational and solvation dynamics of isoniazid.

Shaw DJ, Adamczyk K, Frederix PW, Simpson N, Robb K, Greetham GM, Towrie M, Parker AW, Hoskisson PA, Hunt NT.

J Chem Phys. 2015 Jun 7;142(21):212401. doi: 10.1063/1.4914097.


Solvent response to fluorine-atom reaction dynamics in liquid acetonitrile.

Dunning GT, Murdock D, Greetham GM, Clark IP, Orr-Ewing AJ.

Phys Chem Chem Phys. 2015 Apr 14;17(14):9465-70. doi: 10.1039/c5cp00774g. Epub 2015 Mar 13.


Reaction dynamics. Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents.

Dunning GT, Glowacki DR, Preston TJ, Greaves SJ, Greetham GM, Clark IP, Towrie M, Harvey JN, Orr-Ewing AJ.

Science. 2015 Jan 30;347(6221):530-3. doi: 10.1126/science.aaa0103.


Electron transfer quenching in light adapted and mutant forms of the AppA BLUF domain.

Laptenok SP, Lukacs A, Brust R, Haigney A, Gil A, Towrie M, Greetham GM, Tonge PJ, Meech SR.

Faraday Discuss. 2015;177:293-311. doi: 10.1039/c4fd00189c.


The effect on structural and solvent water molecules of substrate binding to ferric horseradish peroxidase.

Simpson N, Adamczyk K, Hithell G, Shaw DJ, Greetham GM, Towrie M, Parker AW, Hunt NT.

Faraday Discuss. 2015;177:163-79. doi: 10.1039/c4fd00161c.


Ultrafast infrared spectroscopy reveals water-mediated coherent dynamics in an enzyme active site.

Adamczyk K, Simpson N, Greetham GM, Gumiero A, Walsh MA, Towrie M, Parker AW, Hunt NT.

Chem Sci. 2015 Jan 1;6(1):505-516. doi: 10.1039/c4sc02752c. Epub 2014 Oct 22.


Toward control of electron transfer in donor-acceptor molecules by bond-specific infrared excitation.

Delor M, Scattergood PA, Sazanovich IV, Parker AW, Greetham GM, Meijer AJ, Towrie M, Weinstein JA.

Science. 2014 Dec 19;346(6216):1492-5. doi: 10.1126/science.1259995.


Excited-state charge separation in the photochemical mechanism of the light-driven enzyme protochlorophyllide oxidoreductase.

Heyes DJ, Hardman SJ, Hedison TM, Hoeven R, Greetham GM, Towrie M, Scrutton NS.

Angew Chem Int Ed Engl. 2015 Jan 26;54(5):1512-5. doi: 10.1002/anie.201409881. Epub 2014 Dec 8.


Photophysics of threaded sp-carbon chains: the polyyne is a sink for singlet and triplet excitation.

Movsisyan LD, Peeks MD, Greetham GM, Towrie M, Thompson AL, Parker AW, Anderson HL.

J Am Chem Soc. 2014 Dec 31;136(52):17996-8008. doi: 10.1021/ja510663z. Epub 2014 Dec 18.


Dual charge-transfer in rhenium(I) thioether substituted hexaazanaphthalene complexes.

van der Salm H, Fraser MG, Horvath R, Turner JO, Greetham GM, Clark IP, Towrie M, Lucas NT, George MW, Gordon KC.

Inorg Chem. 2014 Dec 15;53(24):13049-60. doi: 10.1021/ic502179f. Epub 2014 Dec 3.


UV-induced isomerization dynamics of N-methyl-2-pyridone in solution.

Murdock D, Harris SJ, Clark IP, Greetham GM, Towrie M, Orr-Ewing AJ, Ashfold MN.

J Phys Chem A. 2015 Jan 8;119(1):88-94. doi: 10.1021/jp511818k. Epub 2014 Dec 17.


Electron transfer dynamics and excited state branching in a charge-transfer platinum(II) donor-bridge-acceptor assembly.

Scattergood PA, Delor M, Sazanovich IV, Bouganov OV, Tikhomirov SA, Stasheuski AS, Parker AW, Greetham GM, Towrie M, Davies ES, Meijer AJ, Weinstein JA.

Dalton Trans. 2014 Dec 21;43(47):17677-93. doi: 10.1039/c4dt01682c.


Tracking a Paternò-Büchi reaction in real time using transient electronic and vibrational spectroscopies.

Harris SJ, Murdock D, Grubb MP, Clark IP, Greetham GM, Towrie M, Ashfold MN.

J Phys Chem A. 2014 Nov 6;118(44):10240-5. doi: 10.1021/jp507958y. Epub 2014 Oct 28.


Ultrafast vibrational spectroscopic studies on the photoionization of the α-tocopherol analogue trolox C.

Parker AW, Bisby RH, Greetham GM, Kukura P, Scherer KM, Towrie M.

J Phys Chem B. 2014 Oct 23;118(42):12087-97. doi: 10.1021/jp505113k. Epub 2014 Oct 10.


Controlled CO release using photochemical, thermal and electrochemical approaches from the amino carbene complex [(CO)₅CrC(NC₄H₈)CH₃].

McMahon S, Rochford J, Halpin Y, Manton JC, Harvey EC, Greetham GM, Clark IP, Rooney AD, Long C, Pryce MT.

Phys Chem Chem Phys. 2014 Oct 21;16(39):21230-3. doi: 10.1039/c4cp03758h. Epub 2014 Sep 4.


Excited state evolution towards ligand loss and ligand chelation at group 6 metal carbonyl centres.

Manton JC, Amirjalayer S, Coleman AC, McMahon S, Harvey EC, Greetham GM, Clark IP, Buma WJ, Woutersen S, Pryce MT, Long C.

Dalton Trans. 2014 Dec 21;43(47):17797-805. doi: 10.1039/c4dt01544d.


Direct observation of ultrafast long-range charge separation at polymer-fullerene heterojunctions.

Provencher F, Bérubé N, Parker AW, Greetham GM, Towrie M, Hellmann C, Côté M, Stingelin N, Silva C, Hayes SC.

Nat Commun. 2014 Jul 1;5:4288. doi: 10.1038/ncomms5288.


Dynamics of photodissociation of XeF2 in organic solvents.

Dunning GT, Preston TJ, Orr-Ewing AJ, Greaves SJ, Greetham GM, Clark IP, Towrie M.

Phys Chem Chem Phys. 2014 Aug 14;16(30):16095-102. doi: 10.1039/c4cp01854k.


The photoinitiated reaction pathway of full-length cyanobacteriochrome Tlr0924 monitored over 12 orders of magnitude.

Hauck AF, Hardman SJ, Kutta RJ, Greetham GM, Heyes DJ, Scrutton NS.

J Biol Chem. 2014 Jun 20;289(25):17747-57. doi: 10.1074/jbc.M114.566133. Epub 2014 May 9.


Ultrafast Structural Dynamics of BlsA, a Photoreceptor from the Pathogenic Bacterium Acinetobacter baumannii.

Brust R, Haigney A, Lukacs A, Gil A, Hossain S, Addison K, Lai CT, Towrie M, Greetham GM, Clark IP, Illarionov B, Bacher A, Kim RR, Fischer M, Simmerling C, Meech SR, Tonge PJ.

J Phys Chem Lett. 2014 Jan 2;5(1):220-224. Epub 2013 Dec 6.


BLUF domain function does not require a metastable radical intermediate state.

Lukacs A, Brust R, Haigney A, Laptenok SP, Addison K, Gil A, Towrie M, Greetham GM, Tonge PJ, Meech SR.

J Am Chem Soc. 2014 Mar 26;136(12):4605-15. doi: 10.1021/ja4121082. Epub 2014 Mar 13.

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