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Number of items: 75.

2023

Rutherford, Samantha H and J. Baker, Matthew and Hunt, Neil T (2023) 2D-IR spectroscopy of proteins in H2O – a perspective. Journal of Chemical Physics, 158 (3). 030901. ISSN 0021-9606

Murphy, Fiona A. and Johnston, Helinor J. and Dekkers, Susan and Bleeker, Eric A.J. and Oomen, Agnes G. and Fernandes, Teresa F. and Rasmussen, Kirsten and Jantunen, Paula and Rauscher, Hubert and Hunt, Neil and di Cristo, Luisana and Braakhuis, Hedwig M. and Haase, Andrea and Hristozov, Danail and Wohlleben, Wendel and Sabella, Stefania and Stone, Vicki (2023) How to formulate hypotheses and IATAs to support grouping and read-across of nanoforms. Altex, 40 (1). pp. 125-140. ISSN 1868-596X

2021

Procacci, Barbara and Rutherford, Samantha H. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Robinson, Camilla V. and Howle, Christopher R. and Hunt, Neil T. (2021) Differentiation of bacterial spores via 2D-IR spectroscopy. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 249. 119319. ISSN 1386-1425

Rutherford, Samantha H. and Greetham, Gregory M. and Donaldson, Paul M. and Towrie, Michael and Parker, Anthony W. and Baker, Matthew J. and Hunt, Neil T. (2021) Detection of glycine as a model protein in blood serum using 2D-IR spectroscopy. Analytical Chemistry, 93 (2). pp. 920-927. ISSN 0003-2700

2020

Stone, Vicki and Gottardo, Stefania and Bleeker, Eric A.J. and Braakhuis, Hedwig and Dekkers, Susan and Fernandes, Teresa and Haase, Andrea and Hunt, Neil and Hristozov, Danail and Jantunen, Paula and Jeliazkova, Nina and Johnston, Helinor and Lamon, Lara and Murphy, Fiona and Rasmussen, Kirsten and Rauscher, Hubert and Jiménez, Araceli Sánchez and Svendsen, Claus and Spurgeon, David and Vázquez-Campos, Socorro and Wohlleben, Wendel and Oomen, Agnes G. (2020) A framework for grouping and read-across of nanomaterials- supporting innovation and risk assessment. Nano Today, 35. 100941. ISSN 1878-044X

Lane, Paul D. and Reichenbach, Judith and Farrell, Andrew J. and Ramakers, Lennart A.I. and Adamczyk, Katrin and Hunt, Neil T. and Wynne, Klaas (2020) Experimental observation of nanophase segregation in aqueous salt solutions around the predicted liquid-liquid transition in water. Physical Chemistry Chemical Physics, 22 (17). pp. 9438-9447. ISSN 1463-9084

Fritzsch, Robby and Hume, Samantha and Minnes, Lucy and Baker, Matthew J. and Burley, Glenn A. and Hunt, Neil T. (2020) Two-dimensional infrared spectroscopy : an emerging analytical tool? Analyst, 145 (6). pp. 2014-2024. ISSN 0003-2654

Butler, Holly J. and Cameron, James M. and Jenkins, Cerys A. and Hithell, Gordon and Hume, Samantha and Hunt, Neil T. and Baker, Matthew J. (2020) Shining a light on clinical spectroscopy : translation of diagnostic IR, 2D-IR and Raman spectroscopy towards the clinic. Clinical Spectroscopy, 1. 100003. ISSN 2666-0547

2019

Debnath, Sisir and Roy, Sangita and Abul‐Haija, Yousef M. and Frederix, Pim W. J. M. and Ramalhete, Susana M. and Hirst, Andrew R. and Javid, Nadeem and Hunt, Neil T. and Kelly, Sharon M. and Angulo, Jesús and Khimyak, Yaroslav Z. and Ulijn, Rein V. (2019) Tunable supramolecular gel properties by varying thermal history. Chemistry - A European Journal, 25 (33). pp. 7881-7887. ISSN 1521-3765

2018

Fritzsch, Robby and Donaldson, Paul M. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Baker, Matthew J. and Hunt, Neil T. (2018) Rapid screening of DNA-ligand complexes via 2D-IR spectroscopy and ANOVA-PCA. Analytical Chemistry, 90 (4). pp. 2732-2740. ISSN 0003-2700

2017

Hithell, Gordon and Donaldson, Paul M. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Burley, Glenn and Hunt, Neil T. (2017) Effect of oligomer length on vibrational coupling and energy relaxation in double-stranded DNA. Chemical Physics. ISSN 0301-0104

Shaw, Daniel J. and Hill, Rachel E. and Simpson, Niall and Husseini, Fouad S. and Robb, Kirsty and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Robinson, David and Hirst, Jonathan D. and Hoskisson, Paul A. and Hunt, Neil T. (2017) Examining the role of protein structural dynamics in drug resistance in Mycobacterium tuberculosis. Chemical Science, 8 (12). pp. 8384-8399. ISSN 2041-6539

Hithell, Gordon Robert and Ramakers, Lennart A. I. and Burley, Glenn A. and Hunt, Neil T.; Laane, Jaan, ed. (2017) Applications of 2D-IR spectroscopy to probe the structural dynamics of DNA. In: Frontiers and Advances in Molecular Spectroscopy. Elsevier Science, Amsterdam, pp. 77-100. ISBN 9780128112205

Minnes, Lucy and Shaw, Daniel J. and Cossins, Benjamin P. and Donaldson, Paul M. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Baker, Matthew J. and Henry, Alistair J. and Taylor, Richard J. and Hunt, Neil T. (2017) Quantifying secondary structure changes in Calmodulin using 2D-IR spectroscopy. Analytical Chemistry, 89 (20). pp. 10898-10906. ISSN 0003-2700

Shaw, Daniel J. and Robb, Kirsty and Vetter, Beatrice V. and Tong, Madeline and Molle, Virginie and Hunt, Neil T. and Hoskisson, Paul A. (2017) Disruption of key NADH-binding pocket residues of the Mycobacterium tuberculosis InhA affects DD-CoA binding ability. Scientific Reports, 7. 4714. ISSN 2045-2322

Hithell, Gordon and González-Jiménez, Mario and Greetham, Gregory M. and Donaldson, Paul M. and Towrie, Michael and Parker, Anthony W. and Burley, Glenn A. and Wynne, Klaas and Hunt, Neil (2017) Ultrafast 2D-IR and optical Kerr effect spectroscopy reveal the impact of duplex melting on the structural dynamics of DNA. Physical Chemistry Chemical Physics, 2017 (16). pp. 10333-10342. ISSN 1463-9084

Ramakers, Lennart A. I. and Hithell, Gordon and May, John J. and Greetham, Gregory M. and Donaldson, Paul M. and Towrie, Michael and Parker, Anthony W. and Burley, Glenn and Hunt, Neil (2017) 2D-IR spectroscopy shows that optimised DNA minor groove binding of Hoechst33258 follows an induced fit model. Journal of Physical Chemistry B, 121 (6). 1295–1303. ISSN 1520-6106

2016

Sasselli, I.R. and Pappas, C. G. and Matthews, E. and Wang, T. and Hunt, Neil and Ulijn, Rein and Tuttle, Christopher (2016) Using experimental and computational energy equilibration to understand hierarchical self-assembly of Fmoc-dipeptide amphiphiles. Soft Matter, 2016 (40). pp. 8307-8315. ISSN 1744-6848

Alakpa, Enateri V. and Jayawarna, Vineetha and Lampel, Ayala and Burgess, Karl V. and West, Christopher C. and Bakker, Sanne C.J. and Roy, Sangita and Javid, Nadeem and Fleming, Scott and Lamprou, Dimitris A. and Yang, Jingli and Miller, Angela and Urquhart, Andrew J. and Frederix, Pim W.J.M. and Hunt, Neil T. and Péault, Bruno and Ulijn, Rein V. and Dalby, Matthew J. (2016) Tunable supramolecular hydrogels for selection of lineage-guiding metabolites in stem cell cultures. Chem, 1 (2). pp. 298-319. ISSN 2451-9294

Simpson, Niall and Hunt, Neil T. and Hoskisson, Paul A. (2016) Adding dynamics to structure/function studies in microbiology two-dimensional infrared spectroscopy. Microbiology Today, 43 (3). pp. 110-113. ISSN 1464-0570

Fritzsch, Robby and Brady, Owen and Adair, Elaine and Wright, Joseph A. and Pickett, Christopher J. and Hunt, Neil (2016) Encapsulating Subsite analogues of the [FeFe]-hydrogenases in micelles enables direct water interactions. Journal of Physical Chemistry Letters, 7. pp. 2838-2843. ISSN 1948-7185

Smith, Benjamin Richard and Ashton, Katherine M. and Brodbelt, Andrew and Dawson, Timothy and Jenkinson, Michael D. and Hunt, Neil T. and Palmer, David S. and Baker, Matthew J. (2016) Combining random forest and 2D correlation analysis to identify serum spectral signatures for neuro-oncology. Analyst, 141. pp. 3668-3678. ISSN 0003-2654

Hithell, Gordon and Shaw, Daniel J. and Donaldson, Paul M. and Greetham, Gregory M. and Towrie, Michael and Burley, Glenn A. and Parker, Anthony W. and Hunt, Neil T. (2016) Long-range vibrational dynamics are directed by Watson-Crick base-pairing in duplex DNA. Journal of Physical Chemistry B. ISSN 1520-6106

2015

Hunt, Neil and Wright, Joseph and Pickett, Christopher (2015) Detection of transient intermediates generated from subsite analogues of [FeFe]-hydrogenases. Inorganic Chemistry, 2016 (55). pp. 399-410. ISSN 1520-510X

Shaw, Daniel J. and Adamczyk, Katrin and Frederix, Pim W. J. M. and Simpson, Niall and Robb, Kirsty and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Hoskisson, Paul A. and Hunt, Neil T. (2015) Multidimensional infrared spectroscopy reveals the vibrational and solvation dynamics of isoniazid. Journal of Chemical Physics, 142 (21). 212401. ISSN 0021-9606

Simpson, Niall and Adamczyk, Katrin and Hithell, Gordon Robert and Shaw, Daniel and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony William A.W. and Hunt, Neil (2015) The effect on structural and solvent water molecules of substrate binding to ferric horseradish peroxidase. Faraday Discussions, 177. pp. 163-179. ISSN 1359-6640

Adamczyk, Katrin and Simpson, Niall and Greetham, Gregory M. and Gumiero, Andrea and Walsh, Martin A. and Towrie, Michael and Parker, Anthony W. and Hunt, Neil (2015) Ultrafast infrared spectroscopy reveals water-mediated coherent dynamics in an enzyme active site. Chemical Science, 6 (1). pp. 505-516. ISSN 2041-6539

Frederix, Pim W. J. M. and Scott, Gary G. and Abul-Haija, Yousef M. and Kalafatovic, Daniela and Pappas, Charalampos G. and Javid, Nadeem and Hunt, Neil T. and Ulijn, Rein V. and Tuttle, Tell (2015) Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels. Nature Chemistry, 7 (1). pp. 30-37. ISSN 1755-4330

Simpson, N. and Hunt, N.T. (2015) Ultrafast 2D-IR spectroscopy of haemoproteins. International Reviews in Physical Chemistry, 34 (3). pp. 361-383. ISSN 1366-591X

2014

Hunt, N. T. (2014) Transient 2D-IR spectroscopy of inorganic excited states. Dalton Transactions, 43 (47). pp. 17578-17589. ISSN 1477-9226

Frederix, Pim W. J. M. and Adamczyk, Katrin and Wright, Joseph A. and Tuttle, Tell and Ulijn, Rein V. and Pickett, Christopher J. and Hunt, Neil T. (2014) Investigation of the ultrafast dynamics occurring during unsensitized photocatalytic H2 evolution by an [FeFe]-hydrogenase subsite analogue. Organometallics, 33 (20). 5888–5896. ISSN 0276-7333

Fleming, Scott and Debnath, Sisir and Frederix, Pim and Hunt, Neil and Ulijn, Rein (2014) Insights into the coassembly of hydrogelators and surfactants based on aromatic peptide amphiphiles. Biomacromolecules, 15 (4). pp. 1171-1184. ISSN 1526-4602

2013

Simpson, Niall and Shaw, Daniel J. and Frederix, Pim W J M and Gillies, Audrey H. and Adamczyk, Katrin and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony William and Hoskisson, Paul A. and Hunt, Neil T. (2013) Infrared spectroscopy of nicotinamide adenine dinucleotides in one and two dimensions. Journal of Physical Chemistry B, 117 (51). pp. 16468-16478. ISSN 1520-6106

Candelaresi, Marco and Gumiero, Andrea and Adamczyk, Katrin and Robb, Kirsty and Bellota-Antón, César and Sangal, Vartul and Munnoch, John and Greetham, Gregory M and Towrie, Michael and Hoskisson, Paul A and Parker, Anthony W and Tucker, Nicholas P and Walsh, Martin A and Hunt, Neil T (2013) A structural and dynamic investigation of the inhibition of catalase by nitric oxide. Organic and Biomolecular Chemistry, 11 (44). pp. 7778-7788. ISSN 1477-0520

Fleming, Scott and Frederix, Pim W. J. M. and Sasselli, Ivan Ramos and Hunt, Neil T. and Ulijn, Rein V. and Tuttle, Tell (2013) Assessing the utility of infrared spectroscopy as a structural diagnostic tool for β-sheets in self-assembling aromatic peptide amphiphiles. Langmuir, 29 (30). pp. 9510-9515. ISSN 0743-7463

2012

Frederix, Pim and Kania, Rafal and Wright, Joseph A. and Lamprou, Dimitrios and Ulijn, Rein and Pickett, Christopher J. and Hunt, Neil (2012) Encapsulating [FeFe]-hydrogenase model compounds in peptide hydrogels dramatically modifies stability and photochemistry. Dalton Transactions, 41 (42). pp. 13112-13119. ISSN 1472-7773

Roy, Sangita and Javid, Nadeem and Frederix, Pim and Lamprou, Dimitrios and Urquhart, Andrew and Hunt, Neil and Halling, Peter and Ulijn, Rein (2012) Dramatic specific ion effect in supramolecular hydrogels. Chemistry - A European Journal, 18 (37). pp. 11723-11731. ISSN 1521-3765

Adamczyk, Katrin and Candelaresi, Marco and Robb, Kirsty and Gumiero, Andrea and Walsh, Martin A. and Parker, Anthony W. and Hoskisson, Paul A. and Tucker, Nicholas P. and Hunt, Neil T. (2012) Measuring protein dynamics with ultrafast two-dimensional infrared spectroscopy. Measurement Science and Technology, 23 (6). 062001. ISSN 0957-0233

Weinstein, Julia A. and Hunt, Neil T. (2012) Ultrafast chemical physics: in search of molecular movies. Nature Chemistry, 4 (3). pp. 157-158. ISSN 1755-4330

Kania, Rafal and Frederix, Pim W. J. M. and Wright, Joseph A. and Ulijn, Rein V. and Pickett, Christopher J. and Hunt, Neil T. (2012) Solution-phase photochemistry of a [FeFe]hydrogenase model compound: evidence of photoinduced isomerisation. Journal of Chemical Physics, 136 (4). -. 044521. ISSN 0021-9606

Hughes, Meghan and Frederix, Pim W. J. M. and Raeburn, Jaclyn and Birchall, Louise S. and Sadownik, Jan and Coomer, Fiona C. and Lin, I-Hsin and Cussen, Edmund J. and Hunt, Neil T. and Tuttle, Tell and Webb, Simon J. and Adams, Dave J. and Ulijn, Rein V. (2012) Sequence/structure relationships in aromatic dipeptide hydrogels formed under thermodynamic control by enzyme-assisted self-assembly. Soft Matter, 8 (20). pp. 5595-5602. ISSN 1744-6848

Wynne, Klaas and Hunt, Neil T. (2012) Ultrafast chemical dynamics. Physical Chemistry Chemical Physics, 14 (18). pp. 6154-6155. ISSN 1463-9084

Adamczyk, Katrin and Candelaresi, Marco and Kania, Rafal and Robb, Kirsty and Bellota-Anton, Cesar and Greetham, Gregory M. and Pollard, Mark R. and Towrie, Michael and Parker, Anthony W. and Hoskisson, Paul A. and Tucker, Nicholas P. and Hunt, Neil T. (2012) The effect of point mutation on the equilibrium structural fluctuations of ferric Myoglobin. Physical Chemistry Chemical Physics, 14 (20). pp. 7411-7419. ISSN 1463-9084

2011

Hunt, Neil T. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Tucker, Nicholas P. (2011) Relationship between protein structural fluctuations and rebinding dynamics in ferric haem nitrosyls. Biochemical Journal, 433. pp. 459-468. ISSN 0264-6021

Hughes, M. and Xu, haixia and Frederix, Pim and Smith, A.M. and Hunt, Neil and Tuttle, Tell and Kinloch, I.A. and Ulijn, Rein Vincent (2011) Biocatalytic self-assembly of 2D peptide-based nanostructures. Soft Matter, 7 (21). pp. 10032-10038. ISSN 1744-6848

Bellota-Anton, Cesar and Munnoch, John and Robb, Kirsty and Adamczyk, Katrin and Candelaresi, Marco and Parker, Anthony W. and Dixon, Ray and Hutchings, Matthew I. and Hunt, Neil and Tucker, Nicholas (2011) Spectroscopic analysis of protein Fe-NO complexes. Biochemical Society Transactions, 39. 1293 -1298. ISSN 0300-5127

Frederix, Pim and Ulijn, Rein Vincent and Hunt, Neil and Tuttle, Tell (2011) Virtual screening for dipeptide aggregation : toward predictive tools for peptide self-assembly. Journal of Physical Chemistry Letters, 2 (19). pp. 2380-2384.

Kaziannis, Spyridon and Wright, Joseph A. and Candelaresi, Marco and Kania, Rafal and Greetham, Gregory M. and Parker, Anthony W. and Pickett, Christopher J. and Hunt, Neil T. (2011) The role of CN and CO ligands in the vibrational relaxation dynamics of model compounds of the [FeFe]-hydrogenase enzyme. Physical Chemistry Chemical Physics, 13 (21). pp. 10295-10305. ISSN 1463-9084

2010

Hirst, Andrew R. and Roy, Sangita and Arora, Meenakshi and Das, Apurba and Hodson, Nigel and Murray, Paul and Marshall, Stephen and Javid, Nadeem and Sefcik, Jan and Boekhoven, Job and van Esch, Jan H. and Santabarbara, Stefano and Hunt, Neil T. and Ulijn, Rein V. (2010) Biocatalytic induction of supramolecular order. Nature Chemistry, 2 (12). 1089–1094. ISSN 1755-4330

Kaziannis, Spyridon and Santabarbara, Stefano and Wright, Joseph A. and Greetham, Gregory M. and Towrie, Michael and Parker, Anthony W. and Pickett, Christopher J. and Hunt, Neil T. (2010) Femtosecond to microsecond photochemistry of a [FeFe]hydrogenase enzyme model compound. Journal of Physical Chemistry B, 114 (46). pp. 15370-15379. ISSN 1520-6106

Stewart, Andrew I. and Wright, Joseph A. and Greetham, Gregory M. and Kaziannis, Spiridon and Santabarbara, Stefano and Towrie, Michael and Parker, Anthony W. and Pickett, Christopher J. and Hunt, Neil T. (2010) Determination of the photolysis products of [FeFe]hydrogenase enzyme model systems using ultrafast multidimensional infrared spectroscopy. Inorganic Chemistry, 49 (20). pp. 9563-9573. ISSN 1520-510X

Kania, Rafal and Stewart, Andrew I. and Clark, Ian P. and Greetham, Gregory M. and Parker, Anthony W. and Towrie, Michael and Hunt, Neil T. (2010) Investigating the vibrational dynamics of a 17e(-) metallocarbonyl intermediate using ultrafast two dimensional infrared spectroscopy. Physical Chemistry Chemical Physics, 12 (5). pp. 1051-1063. ISSN 1463-9084

Bonner, G. M. and Ridley, A. R. and Ibrahim, S. K. and Pickett, C. J. and Hunt, N. T. (2010) Probing the effect of the solution environment on the vibrational dynamics of an enzyme model system with ultrafast 2D-IR spectroscopy. Faraday Discussions, 145. pp. 429-442. ISSN 1359-6640

2009

Hunt, Neil T. (2009) 2D-IR spectroscopy: ultrafast insights into biomolecule structure and function. Chemical Society Reviews, 38 (7). pp. 1837-1848. ISSN 0306-0012

2008

Ridley, A.R. and Stewart, A. and Adamczyk, K. and Ghosh, H.N. and Kerkeni, B. and Guo, Z.X. and Nibbering, E.T.J. and Pickett, C.J. and Hunt, Neil T. (2008) Multiple-timescale photoreactivity of a model compound related to the active site of [fefe]-hydrogenase. Inorganic Chemistry, 47 (17). pp. 7453-7455. ISSN 1520-510X

Stewart, A.I. and Clark, I.P. and Towrie, M. and Ibrahim, S.K. and Parker, A.W. and Pickett, C.J. and Hunt, Neil T. (2008) Structure and vibrational dynamics of model compounds of the [fefe]-hydrogenase enzyme system via ultrafast two-dimensional infrared spectroscopy. Journal of Physical Chemistry B, 112 (32). pp. 10023-10032. ISSN 1520-6106

Stewart, A. Ian and Towrie, M. and Clark, Ian P. and Parker, Anthony W. and Ibrahim, Saad and Pickett, Chris J. and Hunt, Neil T. (2008) PHYS 329-Applications of ultrafast 2-D infrared spectroscopy to studies of the Fe-hydrogenase enzyme system. Abstracts of papers - American Chemical Society, 235. -. ISSN 0065-7727

2007

Welsh, G.H. and Hunt, N.T. and Wynne, Klaas; (2007) Terahertz-pulse emission by laser excitation of surface plasmons in a metal grating. In: 2007 Joint 32nd International Conference on Infrared and Millemeter Waves and 15th International Conference on Terahertz Electronics. IEEE, New York, pp. 884-885. ISBN 978-1-4244-1438-3

Hunt, Neil T. and Turner, Andrew R. and Tanaka, Hajime and Wynne, Klaas (2007) The ultrafast dynamics of hydrogen-bonded liquids: Molecular structure-dependent occurrence of normal arrhenius or fractional Stokes-Einstein-Debye rotational diffusive relaxation. Journal of Physical Chemistry B, 111 (32). pp. 9634-9643. ISSN 1520-6106

Welsh, G.H. and Hunt, N.T. and Wynne, K. (2007) Terahertz-pulse emission through laser excitation of surface plasmons in a metal grating. Physical Review Letters, 98 (2). 026803. ISSN 1079-7114

Hunt, Neil and Turton, David and Kattner, Lisa and Shanks, Richard P. and Wynne, Klaas; Corkum, P and Jonas, D and Miller, RJD and Weiner, AM, eds. (2007) Direct observation of the `lubricant of life' using ultrafast spectroscopies. In: Ultrafast Phenomena XV. Springer series in chemical physics . Springer-Verlag Berlin, USA, pp. 504-506. ISBN 9783540687795

Welsh, Gregor and Hunt, Neil and Wynne, Klaas; Corkum, P and Jonas, D and Miller, RJD and Weiner, AM, eds. (2007) Terahertz emission from nano-structured metal surfaces. In: Ultrafast Phenomena XV. Springer series in chemical physics . Springer-Verlag Berlin, USA, pp. 778-780. ISBN 9783540687795