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Insight into the mechanism of CO-release from trypto-CORM using ultra-fast spectroscopy and computational chemistry.

Aucott BJ, Eastwood JB, Anders Hammarback L, Clark IP, Sazanovich IV, Towrie M, Fairlamb IJS, Lynam JM.

Dalton Trans. 2019 Nov 21;48(43):16426-16436. doi: 10.1039/c9dt03343b. Epub 2019 Oct 25.


The effect of coordination of alkanes, Xe and CO21-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3.

Wu X, Liu Z, Murphy TS, Sun XZ, Hanson-Heine MWD, Towrie M, Harvey JN, George MW.

Faraday Discuss. 2019 Dec 2;220(0):86-104. doi: 10.1039/c9fd00067d.


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.


Ultrafast Light-Driven Electron Transfer in a Ru(II)tris(bipyridine)-Labeled Multiheme Cytochrome.

van Wonderen JH, Hall CR, Jiang X, Adamczyk K, Carof A, Heisler I, Piper SEH, Clarke TA, Watmough NJ, Sazanovich IV, Towrie M, Meech SR, Blumberger J, Butt JN.

J Am Chem Soc. 2019 Sep 25;141(38):15190-15200. doi: 10.1021/jacs.9b06858. Epub 2019 Sep 10.


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 the Formation and Reactivity of Organometallic Alkane and Fluoroalkane Complexes with Silanes and Xe Using Time-Resolved X-ray Absorption Fine Structure Spectroscopy.

Bartlett SA, Besley NA, Dent AJ, Diaz-Moreno S, Evans J, Hamilton ML, Hanson-Heine MWD, Horvath R, Manici V, Sun XZ, Towrie M, Wu L, Zhang X, George MW.

J Am Chem Soc. 2019 Jul 24;141(29):11471-11480. doi: 10.1021/jacs.8b13848. Epub 2019 Jul 15.


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.


Shifted Excitation Raman Difference Spectroscopy with Charge-Shifting Charge-Coupled Device (CCD) Lock-In Detection.

Sowoidnich K, Towrie M, Maiwald M, Sumpf B, Matousek P.

Appl Spectrosc. 2019 Nov;73(11):1265-1276. doi: 10.1177/0003702819859352. Epub 2019 Aug 12.


Photoelectrocatalytic H2 evolution from integrated photocatalysts adsorbed on NiO.

Põldme N, O'Reilly L, Fletcher I, Portoles J, Sazanovich IV, Towrie M, Long C, Vos JG, Pryce MT, Gibson EA.

Chem Sci. 2018 Oct 4;10(1):99-112. doi: 10.1039/c8sc02575d. eCollection 2019 Jan 7.


Two Tryptophans Are Better Than One in Accelerating Electron Flow through a Protein.

Takematsu K, Williamson HR, Nikolovski P, Kaiser JT, Sheng Y, Pospíšil P, Towrie M, Heyda J, Hollas D, Záliš S, Gray HB, Vlček A, Winkler JR.

ACS Cent Sci. 2019 Jan 23;5(1):192-200. doi: 10.1021/acscentsci.8b00882. Epub 2019 Jan 7.


Hole Hopping Across a Protein-Protein Interface.

Takematsu K, Pospíšil P, Pižl M, Towrie M, Heyda J, Záliš S, Kaiser JT, Winkler JR, Gray HB, Vlček A.

J Phys Chem B. 2019 Feb 21;123(7):1578-1591. doi: 10.1021/acs.jpcb.8b11982. Epub 2019 Feb 6.


Spectro-electrochemical Studies on [Ru(TAP)2(dppz)]2+-Insights into the Mechanism of its Photosensitized Oxidation of Oligonucleotides.

Keane PM, Tory J, Towrie M, Sazanovich IV, Cardin CJ, Quinn SJ, Hartl F, Kelly JM, Long C.

Inorg Chem. 2019 Jan 7;58(1):663-671. doi: 10.1021/acs.inorgchem.8b02859. Epub 2018 Dec 12.


Vibrational Relaxation and Redistribution Dynamics in Ruthenium(II) Polypyridyl-Based Charge-Transfer Excited States: A Combined Ultrafast Electronic and Infrared Absorption Study.

Brown AM, McCusker CE, Carey MC, Blanco-Rodríguez AM, Towrie M, Clark IP, Vlček A, McCusker JK.

J Phys Chem A. 2018 Oct 11;122(40):7941-7953. doi: 10.1021/acs.jpca.8b06197. Epub 2018 Sep 28.


In situ X-ray imaging of defect and molten pool dynamics in laser additive manufacturing.

Leung CLA, Marussi S, Atwood RC, Towrie M, Withers PJ, Lee PD.

Nat Commun. 2018 Apr 10;9(1):1355. doi: 10.1038/s41467-018-03734-7.


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.


Probing the Carbon-Hydrogen Activation of Alkanes Following Photolysis of Tp'Rh(CNR)(carbodiimide): A Computational and Time-Resolved Infrared Spectroscopic Study.

Guan J, Wriglesworth A, Sun XZ, Brothers EN, Zarić SD, Evans ME, Jones WD, Towrie M, Hall MB, George MW.

J Am Chem Soc. 2018 Feb 7;140(5):1842-1854. doi: 10.1021/jacs.7b12152. Epub 2018 Jan 25.


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.


Directly Coupled Versus Spectator Linkers on Diimine PtII Acetylides-Change the Structure, Keep the Function?

Archer SA, Keane T, Delor M, Bevon E, Auty AJ, Chekulaev D, Sazanovich IV, Towrie M, Meijer AJHM, Weinstein JA.

Chemistry. 2017 Dec 22;23(72):18239-18251. doi: 10.1002/chem.201703989. Epub 2017 Nov 30.


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.


Inosine Can Increase DNA's Susceptibility to Photo-oxidation by a RuII Complex due to Structural Change in the Minor Groove.

Keane PM, Hall JP, Poynton FE, Poulsen BC, Gurung SP, Clark IP, Sazanovich IV, Towrie M, Gunnlaugsson T, Quinn SJ, Cardin CJ, Kelly JM.

Chemistry. 2017 Aug 1;23(43):10344-10351. doi: 10.1002/chem.201701447. Epub 2017 Jul 12.


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.


Charge-transfer dynamics at the dye-semiconductor interface of photocathodes for solar energy applications.

Black FA, Wood CJ, Ngwerume S, Summers GH, Clark IP, Towrie M, Camp JE, Gibson EA.

Faraday Discuss. 2017 Jun 2;198:449-461. doi: 10.1039/c6fd00228e.


Investigating interfacial electron transfer in dye-sensitized NiO using vibrational spectroscopy.

Black FA, Clark CA, Summers GH, Clark IP, Towrie M, Penfold T, George MW, Gibson EA.

Phys Chem Chem Phys. 2017 Mar 15;19(11):7877-7885. doi: 10.1039/c6cp05712h.


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.


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.


Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+ light-switch compound in solution and when bound to DNA.

Poynton FE, Hall JP, Keane PM, Schwarz C, Sazanovich IV, Towrie M, Gunnlaugsson T, Cardin CJ, Cardin DJ, Quinn SJ, Long C, Kelly JM.

Chem Sci. 2016 May 1;7(5):3075-3084. doi: 10.1039/c5sc04514b. Epub 2016 Jan 27.


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.


Can aliphatic anchoring groups be utilised with dyes for p-type dye sensitized solar cells?

Hao Y, Wood CJ, Clark CA, Calladine JA, Horvath R, Hanson-Heine MW, Sun XZ, Clark IP, Towrie M, George MW, Yang X, Sun L, Gibson EA.

Dalton Trans. 2016 May 4;45(18):7708-19. doi: 10.1039/c6dt00146g.


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.


Long-Lived Excited-State Dynamics of i-Motif Structures Probed by Time-Resolved Infrared Spectroscopy.

Keane PM, Baptista FR, Gurung SP, Devereux SJ, Sazanovich IV, Towrie M, Brazier JA, Cardin CJ, Kelly JM, Quinn SJ.

Chemphyschem. 2016 May 4;17(9):1281-7. doi: 10.1002/cphc.201501183. 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.


Directly interrogating single quantum dot labelled UvrA2 molecules on DNA tightropes using an optically trapped nanoprobe.

Simons M, Pollard MR, Hughes CD, Ward AD, Van Houten B, Towrie M, Botchway SW, Parker AW, Kad NM.

Sci Rep. 2015 Dec 22;5:18486. doi: 10.1038/srep18486.


Synthesis and Photophysical Study of a [NiFe] Hydrogenase Biomimetic Compound Covalently Linked to a Re-diimine Photosensitizer.

Summers PA, Calladine JA, Ghiotto F, Dawson J, Sun XZ, Hamilton ML, Towrie M, Davies ES, McMaster J, George MW, Schröder M.

Inorg Chem. 2016 Jan 19;55(2):527-36. doi: 10.1021/acs.inorgchem.5b01744. Epub 2015 Nov 25.


Monitoring one-electron photo-oxidation of guanine in DNA crystals using ultrafast infrared spectroscopy.

Hall JP, Poynton FE, Keane PM, Gurung SP, Brazier JA, Cardin DJ, Winter G, Gunnlaugsson T, Sazanovich IV, Towrie M, Cardin CJ, Kelly JM, Quinn SJ.

Nat Chem. 2015 Dec;7(12):961-7. doi: 10.1038/nchem.2369. Epub 2015 Oct 19.


Ultrafast charge transfer dynamics in supramolecular Pt(II) donor-bridge-acceptor assemblies: the effect of vibronic coupling.

Scattergood PA, Delor M, Sazanovich IV, Towrie M, Weinstein JA.

Faraday Discuss. 2015;185:69-86. doi: 10.1039/c5fd00103j.


Monitoring guanine photo-oxidation by enantiomerically resolved Ru(II) dipyridophenazine complexes using inosine-substituted oligonucleotides.

Keane PM, Poynton FE, Hall JP, Clark IP, Sazanovich IV, Towrie M, Gunnlaugsson T, Quinn SJ, Cardin CJ, Kelly JM.

Faraday Discuss. 2015;185:455-69. doi: 10.1039/c5fd00085h.


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.


Electronic Excited States of Tungsten(0) Arylisocyanides.

Kvapilová H, Sattler W, Sattler A, Sazanovich IV, Clark IP, Towrie M, Gray HB, Záliš S, Vlček A.

Inorg Chem. 2015 Sep 8;54(17):8518-28. doi: 10.1021/acs.inorgchem.5b01203. Epub 2015 Aug 12.


Enantiomeric Conformation Controls Rate and Yield of Photoinduced Electron Transfer in DNA Sensitized by Ru(II) Dipyridophenazine Complexes.

Keane PM, Poynton FE, Hall JP, Clark IP, Sazanovich IV, Towrie M, Gunnlaugsson T, Quinn SJ, Cardin CJ, Kelly JM.

J Phys Chem Lett. 2015 Feb 19;6(4):734-8. doi: 10.1021/jz502743q. Epub 2015 Feb 9.


Reversal of a Single Base-Pair Step Controls Guanine Photo-Oxidation by an Intercalating Ruthenium(II) Dipyridophenazine Complex.

Keane PM, Poynton FE, Hall JP, Sazanovich IV, Towrie M, Gunnlaugsson T, Quinn SJ, Cardin CJ, Kelly JM.

Angew Chem Int Ed Engl. 2015 Jul 13;54(29):8364-8. doi: 10.1002/anie.201502608. Epub 2015 Jun 11.


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.


Calculating singlet excited states: Comparison with fast time-resolved infrared spectroscopy of coumarins.

Hanson-Heine MW, Wriglesworth A, Uroos M, Calladine JA, Murphy TS, Hamilton M, Clark IP, Towrie M, Dowden J, Besley NA, George MW.

J Chem Phys. 2015 Apr 21;142(15):154119. doi: 10.1063/1.4917311.


Probing and Exploiting the Interplay between Nuclear and Electronic Motion in Charge Transfer Processes.

Delor M, Sazanovich IV, Towrie M, Weinstein JA.

Acc Chem Res. 2015 Apr 21;48(4):1131-9. doi: 10.1021/ar500420c. Epub 2015 Mar 19.


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