Professor Klaas Wynne
- Chair in Chemical Physics (School of Chemistry)
email:
Klaas.Wynne@glasgow.ac.uk
A4.11b, School of Chemistry, Joseph Black Building
Research interests
Publications
2025
Pazmino Betancourth, M. , Boldin, A., Ochoa-Gutierrez, V., Hogg, R. A., Baldini, F. , González-Jiménez, M. , Wynne, K. and Childs, D. (2025) Towards fast quantum cascade laser spectrometers for high-throughput and cost-effective disease surveillance. Spectroscopy Journal, 3(1), 8. (doi: 10.3390/spectroscj3010008)
2024
Kumar, R. et al. (2024) Electromagnetic enantiomer: chiral nanophotonic cavities for inducing chemical asymmetry. ACS Nano, 18(3), pp. 22220-22232. (doi: 10.1021/acsnano.4c05861) (PMID:39107108)
Liao, Z. , Das, A., Robb, C. G., Beveridge, R. and Wynne, K. (2024) Amorphous aggregates with a very wide size distribution play a central role in crystal nucleation. Chemical Science, 15(31), pp. 12420-12430. (doi: 10.1039/D4SC00452C) (PMID:39118639) (PMCID:PMC11304771)
Mshani, I. H. et al. (2024) Screening of malaria infections in human blood samples with varying parasite densities and anaemic conditions using AI-Powered mid-infrared spectroscopy. Malaria Journal, 23(1), 188. (doi: 10.1186/s12936-024-05011-z) (PMID:38880870) (PMCID:PMC11181574)
Mwanga, E. P. et al. (2024) Reagent-free detection of Plasmodium falciparum malaria infections in field-collected mosquitoes using mid-infrared spectroscopy and machine learning. Scientific Reports, 14, 12100. (doi: 10.1038/s41598-024-63082-z)
Mwanga, E. P., Siria, D. J., Mshani, I. H., Mwinyi, S. H., Abbas, S., Gonzalez Jimenez, M. , Wynne, K. , Baldini, F. , Babayan, S. A. and Okumu, F. O. (2024) Rapid classification of epidemiologically relevant age categories of the malaria vector, Anopheles funestus. Parasites and Vectors, 17, 143. (doi: 10.1186/s13071-024-06209-5) (PMID:38500231)
Mwanga, E. P. et al. (2024) Rapid assessment of the blood-feeding histories of wild-caught malaria mosquitoes using mid-infrared spectroscopy and machine learning. Malaria Journal, 23(1), 86. (doi: 10.1186/s12936-024-04915-0) (PMID:38532415) (PMCID:PMC10964711)
Russell, B. A. and Wynne, K. (2024) A method for rheological measurements of air sensitive samples. Review of Scientific Instruments, 95(2), 025108. (doi: 10.1063/5.0169326) (PMID:38376385)
González-Jiménez, M. , Liao, Z. , Williams, E. L. and Wynne, K. (2024) Lifting Hofmeisters curse: Impact of cations on diffusion, hydrogen bonding and clustering of water. Journal of the American Chemical Society, 146(1), pp. 368-376. (doi: 10.1021/jacs.3c09421) (PMID:38124370)
2023
Russell, B. A. et al. (2023) A second glass transition observed in single-component homogeneous liquids due to intramolecular vitrification. Journal of the American Chemical Society, 145(48), pp. 26061-26067. (doi: 10.1021/jacs.3c07110) (PMID:37978954) (PMCID:PMC10704603)
Mshani, I. H. et al. (2023) Key considerations, target product profiles, and research gaps in the application of infrared spectroscopy and artificial intelligence for malaria surveillance and diagnosis. Malaria Journal, 22(1), 346. (doi: 10.1186/s12936-023-04780-3) (PMID:37950315) (PMCID:PMC10638832)
Pazmiño Betancourth, M. , Ochoa-Gutiérrez, V. , Ferguson, H. M. , González-Jiménez, M. , Wynne, K. , Baldini, F. and Childs, D. (2023) Evaluation of diffuse reflectance spectroscopy for predicting age, species, and cuticular resistance of Anopheles gambiae s.l under laboratory conditions. Scientific Reports, 13, 18499. (doi: 10.1038/s41598-023-45696-x) (PMID:37898634) (PMCID:PMC10613238)
Gonzalez Jimenez, M. et al. (2023) Author Correction: Understanding the emergence of the boson peak in molecular glasses. Nature Communications, 14, 884. (doi: 10.1038/s41467-023-36662-2) (PMID:36797270) (PMCID:PMC9935499)
Gonzalez Jimenez, M. et al. (2023) Understanding the emergence of the boson peak in molecular glasses. Nature Communications, 14, 215. (doi: 10.1038/s41467-023-35878-6) (PMID:36639380) (PMCID:PMC9839737)
Mwanga, E. P., Siria, D. J., Mitton, J., Mshani, I. H., González-Jiménez, M. , Selvarajah, P., Wynne, K. , Baldini, F. , Okumu, F. O. and Babayan, S. A. (2023) Using transfer learning and dimensionality reduction techniques to improve generalisability of machine-learning predictions of mosquito ages from mid-infrared spectra. BMC Bioinformatics, 24, 11. (doi: 10.1186/s12859-022-05128-5) (PMID:36624386) (PMCID:PMC9830685)
2022
Liao, Z. and Wynne, K. (2022) Mesoscopic amorphous particles rather than oligomeric molecular aggregates are the cause of laser-induced crystal nucleation. Proceedings of the National Academy of Sciences of the United States of America, 119(33), e220717311. (doi: 10.1073/pnas.2207173119) (PMID:35878058)
Liao, Z. and Wynne, K. (2022) A metastable amorphous intermediate is responsible for laser-induced nucleation of glycine. Journal of the American Chemical Society, 144(15), pp. 6727-6733. (doi: 10.1021/jacs.1c11154) (PMID:35384650)
Siria, D. J. et al. (2022) Rapid age-grading and species identification of natural mosquitoes for malaria surveillance. Nature Communications, 13, 1501. (doi: 10.1038/s41467-022-28980-8) (PMID:35314683) (PMCID:PMC8938457)
2021
González-Jiménez, M. , Ramakrishnan, G., Tukachev, N. , Senn, H. M. and Wynne, K. (2021) Low-frequency vibrational modes in G-quadruplexes reveal the mechanical properties of nucleic acids. Physical Chemistry Chemical Physics, 23(23), pp. 13250-13260. (doi: 10.1039/D0CP05404F) (PMID:34095914) (PMCID:PMC8207511)
2020
Farrell, A. J., González Jiménez, M. , Ramakrishnan, G. and Wynne, K. (2020) Low-frequency (gigahertz to terahertz) depolarized Raman scattering off n-alkanes, cycloalkanes, and six-membered rings: a physical interpretation. Journal of Physical Chemistry B, 124(35), pp. 7611-7624. (doi: 10.1021/acs.jpcb.0c03769) (PMID:32790389) (PMCID:PMC7476039)
Walton, F. , Bolling, J., Farrell, A., MacEwen, J., Syme, C. D. , Gonzalez Jimenez, M. , Senn, H. M. , Wilson, C. , Cinque, G. and Wynne, K. (2020) Polyamorphism mirrors polymorphism in the liquid-liquid transition of a molecular liquid. Journal of the American Chemical Society, 142(16), pp. 7591-7597. (doi: 10.1021/jacs.0c01712) (PMID:32249557)
Lane, P. D., Reichenbach, J., Farrell, A. J., Ramakers, L. A.I., Adamczyk, K., Hunt, N. T. and Wynne, K. (2020) Experimental observation of nanophase segregation of aqueous salt solutions around the predicted liquid-liquid transition in water. Physical Chemistry Chemical Physics, 17, 9438. (doi: 10.1039/C9CP06082K) (PMID:32314750)
2019
Walton, F. and Wynne, K. (2019) Using optical tweezing to control phase separation and nucleation near a liquid–liquid critical point. Soft Matter, 15(41), pp. 8279-8289. (doi: 10.1039/C9SM01297D) (PMID:31603454)
Mwanga, E. P. et al. (2019) Detection of malaria parasites in dried human blood spots using mid-infrared spectroscopy and logistic regression analysis. Malaria Journal, 18, 341. (doi: 10.1186/s12936-019-2982-9) (PMID:31590669) (PMCID:PMC6781347)
González Jiménez, M. et al. (2019) Prediction of mosquito species and population age structure using mid-infrared spectroscopy and supervised machine learning. Wellcome Open Research, 4, 76. (doi: 10.12688/wellcomeopenres.15201.3) (PMID:31544155) (PMCID:PMC6753605)
Mwanga, E. P. et al. (2019) Using mid-infrared spectroscopy and supervised machine-learning to identify vertebrate blood meals in the malaria vector, Anopheles arabiensis. Malaria Journal, 18, 187. (doi: 10.1186/s12936-019-2822-y) (PMID:31146762) (PMCID:PMC6543689)
2018
Wynne, K. and Walton, F. (2018) Control Over Phase Separation and Nucleation Using a Optical-Tweezing Potential. In: SPIE Nanoscience + Engineering 2018, San Diego, CA, USA, 19-23 Aug 2018, 107230O. ISBN 9781510620179 (doi: 10.1117/12.2324119)
Reichenbach, J. and Wynne, K. (2018) Frustration vs prenucleation: understanding the surprising stability of supersaturated sodium thiosulfate solutions. Journal of Physical Chemistry B, 122(30), pp. 7590-7596. (doi: 10.1021/acs.jpcb.8b04112) (PMID:29993246)
Walton, F. and Wynne, K. (2018) Control over phase separation and nucleation using a laser-tweezing potential. Nature Chemistry, 10, pp. 506-510. (doi: 10.1038/s41557-018-0009-8) (PMID:29507366)
Wynne, K. (2018) Reply to comment on "The Mayonnaise Effect". Journal of Physical Chemistry B, 122(10), p. 2824. (doi: 10.1021/acs.jpcb.8b01428) (PMID:29432013)
2017
Ramakrishnan, G., González-Jiménez, M. , Lapthorn, A. J. and Wynne, K. (2017) Spectrum of slow and super-slow (picosecond to nanosecond) water dynamics around organic and biological solutes. Journal of Physical Chemistry Letters, 8(13), pp. 2964-2970. (doi: 10.1021/acs.jpclett.7b01127) (PMID:28612605)
Reichenbach, J., Ruddell, S. A., González-Jiménez, M. , Lemes, J., Turton, D. A., France, D. J. and Wynne, K. (2017) Phonon-like hydrogen-bond modes in protic ionic liquids. Journal of the American Chemical Society, 139(21), pp. 7160-7163. (doi: 10.1021/jacs.7b03036) (PMID:28511538)
Dhumal, N. R., Kiefer, J., Turton, D., Wynne, K. and Kim, H. J. (2017) Dielectric relaxation of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate: microwave and far-IR properties. Journal of Physical Chemistry B, 121(18), pp. 4845-4852. (doi: 10.1021/acs.jpcb.7b00160) (PMID:28440638)
Hithell, G., González-Jiménez, M. , Greetham, G. M., Donaldson, P. M., Towrie, M., Parker, A. W., Burley, G. A., Wynne, K. and Hunt, N. T. (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, 16(19), pp. 10333-10342. (doi: 10.1039/C7CP00054E)
Syme, C. D. , Mosses, J., González-Jiménez, M. , Shebanova, O., Walton, F. and Wynne, K. (2017) Frustration of crystallisation by a liquid–crystal phase. Scientific Reports, 7, 42439. (doi: 10.1038/srep42439) (PMID:28209972) (PMCID:PMC5314399)
Wynne, K. (2017) The mayonnaise effect. Journal of Physical Chemistry Letters, 8(24), pp. 6189-6192. (doi: 10.1021/acs.jpclett.7b03207) (PMID:29220573)
2016
González-Jiminéz, M. , Ramakrishnan, G., Harwood, T., Lapthorn, A. J. , Kelly, S. M. , Ellis, E. M. and Wynne, K. (2016) Observation of coherent delocalized phonon-like modes in DNA under physiological conditions. Nature Communications, 7, 11799. (doi: 10.1038/ncomms11799) (PMID:27248361) (PMCID:PMC4895446)
2015
Sonnleitner, T., Turton, D. A., Hefter, G., Ortner, A., Waselikowski, S., Walther, M., Wynne, K. and Buchner, R. (2015) Ultra-broadband dielectric and optical Kerr-effect study of the ionic liquids ethyl and propylammonium nitrate. Journal of Physical Chemistry B, 119(29), pp. 8826-8841. (doi: 10.1021/jp502935t) (PMID:24945675)
Mosses, J., Turton, D., Lue, L., Sefcik, J. and Wynne, K. (2015) Crystal templating through liquid–liquid phase separation. Chemical Communications, 51(6), pp. 1139-1142. (doi: 10.1039/C4CC07880B)
Mosses, J., Syme, C. D. and Wynne, K. (2015) The order parameter of the liquid-liquid transition in a molecular liquid. Journal of Physical Chemistry Letters, 6(1), pp. 38-43. (doi: 10.1021/jz5022763)
2014
Turton, D. and Wynne, K. (2014) Stokes−Einstein−Debye failure in molecular orientational diffusion: exception or rule? Journal of Physical Chemistry B, 118(17), pp. 4600-4604. (doi: 10.1021/jp5012457)
Sonnleitner, T., Turton, D. A., Waselikowski, S., Hunger, J., Stoppa, A., Walther, M., Wynne, K. and Buchner, R. (2014) Dynamics of RTILs: a comparative dielectric and OKE study. Journal of Molecular Liquids, 192, pp. 19-25. (doi: 10.1016/j.molliq.2013.09.019)
Turton, D. A., Senn, H. , Harwood, T., Lapthorn, A. J. , Ellis, E. M. and Wynne, K. (2014) Terahertz underdamped vibrational motion governs protein-ligand binding in solution. Nature Communications, 5, p. 3999. (doi: 10.1038/ncomms4999)
2013
Turton, D., Harwood, T., Lapthorn, A. , Ellis, E. and Wynne, K. (2013) Ultrabroadband terahertz spectroscopies of biomolecules and water. Proceedings of the SPIE: The International Society for Optical Engineering, 8623(862303), (doi: 10.1117/12.2003796)
2012
Turton, D.A., Corsaro, C., Martin, D.F., Mallamace, F. and Wynne, K. (2012) The dynamic crossover in water does not require bulk water. Physical Chemistry Chemical Physics, 14(22), pp. 8067-8073. (doi: 10.1039/C2CP40703E)
Turton, D.A., Sonnleitner, T., Ortner, A., Walther, M., Hefter, G., Seddon, K.R., Stana, S., Plechkova, N.V., Buchner, R. and Wynne, K. (2012) Structure and dynamics in protic ionic liquids: a combined optical Kerr-effect and dielectric relaxation spectroscopy study. Faraday Discussions, 154, pp. 145-153. (doi: 10.1039/c1fd00054c)
Wynne, K. and Hunt, N.T. (2012) Ultrafast chemical dynamics. Physical Chemistry Chemical Physics, 14(18), pp. 6154-6155. (doi: 10.1039/c2cp90065c)
2011
Garwe, F., Schmidt, A., Zieger, G., May, T., Wynne, K. , Hübner, U., Zeisberger, M., Paa, W., Stafast, H. and Meyer, H.-G. (2011) Bi-directional terahertz emission from gold coated nanogratings by excitation via femtosecond laser pulses. Applied Physics B: Lasers and Optics, 102(3), pp. 551-554. (doi: 10.1007/s00340-011-4377-7)
Turton, D.A., Hunger, J., Stoppa, A., Thoman, A., Candelaresi, M., Hefter, G., Walther, M., Buchner, R. and Wynne, K. (2011) Rattling the cage: Micro- to mesoscopic structure in liquids as simple as argon and as complicated as water. Journal of Molecular Liquids, 159(1), pp. 2-8. (doi: 10.1016/j.molliq.2010.04.005)
Turton, D.A., Corsaro, C., Candelaresi, M., Brownlie, A., Seddon, K.R., Mallamace, F. and Wynne, K. (2011) The structure and terahertz dynamics of water confined in nanoscale pools in salt solutions. Faraday Discussions, 150, pp. 493-504. (doi: 10.1039/c0fd00005a)
2010
Turton, D.A., Martin, D.F. and Wynne, K. (2010) Optical Kerr-effect study of trans- and cis-1,2-dichloroethene: liquid–liquid transition or super-Arrhenius relaxation. Physical Chemistry Chemical Physics, 12(16), pp. 4191-4200. (doi: 10.1039/b918196b)
2009
Turton, D.A., Hunger, J., Stoppa, A., Hefter, G., Thoman, A., Walther, M., Buchner, R. and Wynne, K. (2009) Dynamics of imidazolium ionic liquids from a combined dielectric relaxation and optical kerr effect study: evidence for mesoscopic aggregation. Journal of the American Chemical Society, 131(31), pp. 11140-11146. (doi: 10.1021/ja903315v)
Turton, D.A. and Wynne, K. (2009) Universal nonexponential relaxation: Complex dynamics in simple liquids. Journal of Chemical Physics, 131(20), p. 201101. (doi: 10.1063/1.3265862)
Welsh, G.H. and Wynne, K. (2009) Generation of ultrafast terahertz radiation pulses on metallic nanostructured surfaces. Optics Express, 17(4), pp. 2470-2480. (doi: 10.1364/OE.17.002470)
2008
Turton, D.A., Hunger, J., Hefter, G., Buchner, R. and Wynne, K. (2008) Glasslike behavior in aqueous electrolyte solutions. Journal of Chemical Physics, 128(16), p. 161102. (doi: 10.1063/1.2906132)
Turton, D. and Wynne, K. (2008) Structural relaxation in the hydrogen-bonding liquids N-methylacetamide and water studied by optical Kerr effect spectroscopy. Journal of Chemical Physics, 128(15), p. 154516. (doi: 10.1063/1.2897432)
2007
Hunt, N. T., Turner, A. R., Tanaka, H. and Wynne, K. (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. (doi: 10.1021/jp072409h)
Welsh, G. H., Turton, D. A., Jones, D. R., Jaroszynski, D. A. and Wynne, K. (2007) 200 ns pulse high-voltage supply for terahertz field emission. Review of Scientific Instruments, 78(4), 043103. (doi: 10.1063/1.2724769)
Hunt, N. T., Kattner, L., Shanks, R. P. and Wynne, K. (2007) The dynamics of water-protein interaction studied by ultrafast optical kerr-effect spectroscopy. Journal of the American Chemical Society, 129(11), pp. 3168-3172. (doi: 10.1021/ja066289n)
Hunt, N. T., Turton, D. A., Kattner, L., Shanks, R. P. and Wynne, K. (2007) Direct observation of the 'lubricant of life' using ultrafast spectroscopies. In: Ultrafast Phenomena XV: Proceedings of the 15th International Conference, Pacific Grove, USA, July 30 – August 4, 2006. Series: Springer series in chemical physics, 88. Springer Berlin Heidelberg: Berlin, pp. 504-506. (doi: 10.1007/978-3-540-68781-8_163)
Welsh, G.H., 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. (doi: 10.1103/PhysRevLett.98.026803)
2006
Hunt, N. T. and Wynne, K. (2006) The effect of temperature and solvation on the ultrafast dynamics of N-methylacetamide. Chemical Physics Letters, 431(1-3), pp. 155-159. (doi: 10.1016/j.cplett.2006.09.084)
Turton, D. A., Welsh, G. H., Carey, J. J., Reid, G. D., Beddard, G. S. and Wynne, K. (2006) Alternating high-voltage biasing for terahertz large-area photoconductive emitters. Review of Scientific Instruments, 77(8), 083111. (doi: 10.1063/1.2336764)
Wells, J.-P. R., Grinberg, M., Wynne, K. and Han, T.P.J. (2006) Femtosecond pump–probe measurements of non-radiative relaxation in LiAlO2:V3+. Journal of Physics: Condensed Matter, 18(16), pp. 3967-3974. (doi: 10.1088/0953-8984/18/16/006)
2005
Hunt, N. T., Turner, A. R. and Wynne, K. (2005) Inter- and intramolecular hydrogen bonding in phenol derivatives: a model system for poly-l-tyrosine. Journal of Physical Chemistry B, 109(40), pp. 19008-19017. (doi: 10.1021/jp052964o)
Wynne, K. (2005) A new ultrafast technique for measuring the terahertz dynamics of chiral molecules: the theory of optical heterodyne-detected Raman-induced Kerr optical activity. Journal of Chemical Physics, 122(24), p. 244503. (doi: 10.1063/1.1937390)
Wynne, K. and Carey, J.J. (2005) An integrated description of terahertz generation through optical rectification, charge transfer, and current surge. Optics Communications, 256(4-6), pp. 400-413. (doi: 10.1016/j.optcom.2005.06.065)
Articles
Pazmino Betancourth, M. , Boldin, A., Ochoa-Gutierrez, V., Hogg, R. A., Baldini, F. , González-Jiménez, M. , Wynne, K. and Childs, D. (2025) Towards fast quantum cascade laser spectrometers for high-throughput and cost-effective disease surveillance. Spectroscopy Journal, 3(1), 8. (doi: 10.3390/spectroscj3010008)
Kumar, R. et al. (2024) Electromagnetic enantiomer: chiral nanophotonic cavities for inducing chemical asymmetry. ACS Nano, 18(3), pp. 22220-22232. (doi: 10.1021/acsnano.4c05861) (PMID:39107108)
Liao, Z. , Das, A., Robb, C. G., Beveridge, R. and Wynne, K. (2024) Amorphous aggregates with a very wide size distribution play a central role in crystal nucleation. Chemical Science, 15(31), pp. 12420-12430. (doi: 10.1039/D4SC00452C) (PMID:39118639) (PMCID:PMC11304771)
Mshani, I. H. et al. (2024) Screening of malaria infections in human blood samples with varying parasite densities and anaemic conditions using AI-Powered mid-infrared spectroscopy. Malaria Journal, 23(1), 188. (doi: 10.1186/s12936-024-05011-z) (PMID:38880870) (PMCID:PMC11181574)
Mwanga, E. P. et al. (2024) Reagent-free detection of Plasmodium falciparum malaria infections in field-collected mosquitoes using mid-infrared spectroscopy and machine learning. Scientific Reports, 14, 12100. (doi: 10.1038/s41598-024-63082-z)
Mwanga, E. P., Siria, D. J., Mshani, I. H., Mwinyi, S. H., Abbas, S., Gonzalez Jimenez, M. , Wynne, K. , Baldini, F. , Babayan, S. A. and Okumu, F. O. (2024) Rapid classification of epidemiologically relevant age categories of the malaria vector, Anopheles funestus. Parasites and Vectors, 17, 143. (doi: 10.1186/s13071-024-06209-5) (PMID:38500231)
Mwanga, E. P. et al. (2024) Rapid assessment of the blood-feeding histories of wild-caught malaria mosquitoes using mid-infrared spectroscopy and machine learning. Malaria Journal, 23(1), 86. (doi: 10.1186/s12936-024-04915-0) (PMID:38532415) (PMCID:PMC10964711)
Russell, B. A. and Wynne, K. (2024) A method for rheological measurements of air sensitive samples. Review of Scientific Instruments, 95(2), 025108. (doi: 10.1063/5.0169326) (PMID:38376385)
González-Jiménez, M. , Liao, Z. , Williams, E. L. and Wynne, K. (2024) Lifting Hofmeisters curse: Impact of cations on diffusion, hydrogen bonding and clustering of water. Journal of the American Chemical Society, 146(1), pp. 368-376. (doi: 10.1021/jacs.3c09421) (PMID:38124370)
Russell, B. A. et al. (2023) A second glass transition observed in single-component homogeneous liquids due to intramolecular vitrification. Journal of the American Chemical Society, 145(48), pp. 26061-26067. (doi: 10.1021/jacs.3c07110) (PMID:37978954) (PMCID:PMC10704603)
Mshani, I. H. et al. (2023) Key considerations, target product profiles, and research gaps in the application of infrared spectroscopy and artificial intelligence for malaria surveillance and diagnosis. Malaria Journal, 22(1), 346. (doi: 10.1186/s12936-023-04780-3) (PMID:37950315) (PMCID:PMC10638832)
Pazmiño Betancourth, M. , Ochoa-Gutiérrez, V. , Ferguson, H. M. , González-Jiménez, M. , Wynne, K. , Baldini, F. and Childs, D. (2023) Evaluation of diffuse reflectance spectroscopy for predicting age, species, and cuticular resistance of Anopheles gambiae s.l under laboratory conditions. Scientific Reports, 13, 18499. (doi: 10.1038/s41598-023-45696-x) (PMID:37898634) (PMCID:PMC10613238)
Gonzalez Jimenez, M. et al. (2023) Author Correction: Understanding the emergence of the boson peak in molecular glasses. Nature Communications, 14, 884. (doi: 10.1038/s41467-023-36662-2) (PMID:36797270) (PMCID:PMC9935499)
Gonzalez Jimenez, M. et al. (2023) Understanding the emergence of the boson peak in molecular glasses. Nature Communications, 14, 215. (doi: 10.1038/s41467-023-35878-6) (PMID:36639380) (PMCID:PMC9839737)
Mwanga, E. P., Siria, D. J., Mitton, J., Mshani, I. H., González-Jiménez, M. , Selvarajah, P., Wynne, K. , Baldini, F. , Okumu, F. O. and Babayan, S. A. (2023) Using transfer learning and dimensionality reduction techniques to improve generalisability of machine-learning predictions of mosquito ages from mid-infrared spectra. BMC Bioinformatics, 24, 11. (doi: 10.1186/s12859-022-05128-5) (PMID:36624386) (PMCID:PMC9830685)
Liao, Z. and Wynne, K. (2022) Mesoscopic amorphous particles rather than oligomeric molecular aggregates are the cause of laser-induced crystal nucleation. Proceedings of the National Academy of Sciences of the United States of America, 119(33), e220717311. (doi: 10.1073/pnas.2207173119) (PMID:35878058)
Liao, Z. and Wynne, K. (2022) A metastable amorphous intermediate is responsible for laser-induced nucleation of glycine. Journal of the American Chemical Society, 144(15), pp. 6727-6733. (doi: 10.1021/jacs.1c11154) (PMID:35384650)
Siria, D. J. et al. (2022) Rapid age-grading and species identification of natural mosquitoes for malaria surveillance. Nature Communications, 13, 1501. (doi: 10.1038/s41467-022-28980-8) (PMID:35314683) (PMCID:PMC8938457)
González-Jiménez, M. , Ramakrishnan, G., Tukachev, N. , Senn, H. M. and Wynne, K. (2021) Low-frequency vibrational modes in G-quadruplexes reveal the mechanical properties of nucleic acids. Physical Chemistry Chemical Physics, 23(23), pp. 13250-13260. (doi: 10.1039/D0CP05404F) (PMID:34095914) (PMCID:PMC8207511)
Farrell, A. J., González Jiménez, M. , Ramakrishnan, G. and Wynne, K. (2020) Low-frequency (gigahertz to terahertz) depolarized Raman scattering off n-alkanes, cycloalkanes, and six-membered rings: a physical interpretation. Journal of Physical Chemistry B, 124(35), pp. 7611-7624. (doi: 10.1021/acs.jpcb.0c03769) (PMID:32790389) (PMCID:PMC7476039)
Walton, F. , Bolling, J., Farrell, A., MacEwen, J., Syme, C. D. , Gonzalez Jimenez, M. , Senn, H. M. , Wilson, C. , Cinque, G. and Wynne, K. (2020) Polyamorphism mirrors polymorphism in the liquid-liquid transition of a molecular liquid. Journal of the American Chemical Society, 142(16), pp. 7591-7597. (doi: 10.1021/jacs.0c01712) (PMID:32249557)
Lane, P. D., Reichenbach, J., Farrell, A. J., Ramakers, L. A.I., Adamczyk, K., Hunt, N. T. and Wynne, K. (2020) Experimental observation of nanophase segregation of aqueous salt solutions around the predicted liquid-liquid transition in water. Physical Chemistry Chemical Physics, 17, 9438. (doi: 10.1039/C9CP06082K) (PMID:32314750)
Walton, F. and Wynne, K. (2019) Using optical tweezing to control phase separation and nucleation near a liquid–liquid critical point. Soft Matter, 15(41), pp. 8279-8289. (doi: 10.1039/C9SM01297D) (PMID:31603454)
Mwanga, E. P. et al. (2019) Detection of malaria parasites in dried human blood spots using mid-infrared spectroscopy and logistic regression analysis. Malaria Journal, 18, 341. (doi: 10.1186/s12936-019-2982-9) (PMID:31590669) (PMCID:PMC6781347)
González Jiménez, M. et al. (2019) Prediction of mosquito species and population age structure using mid-infrared spectroscopy and supervised machine learning. Wellcome Open Research, 4, 76. (doi: 10.12688/wellcomeopenres.15201.3) (PMID:31544155) (PMCID:PMC6753605)
Mwanga, E. P. et al. (2019) Using mid-infrared spectroscopy and supervised machine-learning to identify vertebrate blood meals in the malaria vector, Anopheles arabiensis. Malaria Journal, 18, 187. (doi: 10.1186/s12936-019-2822-y) (PMID:31146762) (PMCID:PMC6543689)
Reichenbach, J. and Wynne, K. (2018) Frustration vs prenucleation: understanding the surprising stability of supersaturated sodium thiosulfate solutions. Journal of Physical Chemistry B, 122(30), pp. 7590-7596. (doi: 10.1021/acs.jpcb.8b04112) (PMID:29993246)
Walton, F. and Wynne, K. (2018) Control over phase separation and nucleation using a laser-tweezing potential. Nature Chemistry, 10, pp. 506-510. (doi: 10.1038/s41557-018-0009-8) (PMID:29507366)
Wynne, K. (2018) Reply to comment on "The Mayonnaise Effect". Journal of Physical Chemistry B, 122(10), p. 2824. (doi: 10.1021/acs.jpcb.8b01428) (PMID:29432013)
Ramakrishnan, G., González-Jiménez, M. , Lapthorn, A. J. and Wynne, K. (2017) Spectrum of slow and super-slow (picosecond to nanosecond) water dynamics around organic and biological solutes. Journal of Physical Chemistry Letters, 8(13), pp. 2964-2970. (doi: 10.1021/acs.jpclett.7b01127) (PMID:28612605)
Reichenbach, J., Ruddell, S. A., González-Jiménez, M. , Lemes, J., Turton, D. A., France, D. J. and Wynne, K. (2017) Phonon-like hydrogen-bond modes in protic ionic liquids. Journal of the American Chemical Society, 139(21), pp. 7160-7163. (doi: 10.1021/jacs.7b03036) (PMID:28511538)
Dhumal, N. R., Kiefer, J., Turton, D., Wynne, K. and Kim, H. J. (2017) Dielectric relaxation of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate: microwave and far-IR properties. Journal of Physical Chemistry B, 121(18), pp. 4845-4852. (doi: 10.1021/acs.jpcb.7b00160) (PMID:28440638)
Hithell, G., González-Jiménez, M. , Greetham, G. M., Donaldson, P. M., Towrie, M., Parker, A. W., Burley, G. A., Wynne, K. and Hunt, N. T. (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, 16(19), pp. 10333-10342. (doi: 10.1039/C7CP00054E)
Syme, C. D. , Mosses, J., González-Jiménez, M. , Shebanova, O., Walton, F. and Wynne, K. (2017) Frustration of crystallisation by a liquid–crystal phase. Scientific Reports, 7, 42439. (doi: 10.1038/srep42439) (PMID:28209972) (PMCID:PMC5314399)
Wynne, K. (2017) The mayonnaise effect. Journal of Physical Chemistry Letters, 8(24), pp. 6189-6192. (doi: 10.1021/acs.jpclett.7b03207) (PMID:29220573)
González-Jiminéz, M. , Ramakrishnan, G., Harwood, T., Lapthorn, A. J. , Kelly, S. M. , Ellis, E. M. and Wynne, K. (2016) Observation of coherent delocalized phonon-like modes in DNA under physiological conditions. Nature Communications, 7, 11799. (doi: 10.1038/ncomms11799) (PMID:27248361) (PMCID:PMC4895446)
Sonnleitner, T., Turton, D. A., Hefter, G., Ortner, A., Waselikowski, S., Walther, M., Wynne, K. and Buchner, R. (2015) Ultra-broadband dielectric and optical Kerr-effect study of the ionic liquids ethyl and propylammonium nitrate. Journal of Physical Chemistry B, 119(29), pp. 8826-8841. (doi: 10.1021/jp502935t) (PMID:24945675)
Mosses, J., Turton, D., Lue, L., Sefcik, J. and Wynne, K. (2015) Crystal templating through liquid–liquid phase separation. Chemical Communications, 51(6), pp. 1139-1142. (doi: 10.1039/C4CC07880B)
Mosses, J., Syme, C. D. and Wynne, K. (2015) The order parameter of the liquid-liquid transition in a molecular liquid. Journal of Physical Chemistry Letters, 6(1), pp. 38-43. (doi: 10.1021/jz5022763)
Turton, D. and Wynne, K. (2014) Stokes−Einstein−Debye failure in molecular orientational diffusion: exception or rule? Journal of Physical Chemistry B, 118(17), pp. 4600-4604. (doi: 10.1021/jp5012457)
Sonnleitner, T., Turton, D. A., Waselikowski, S., Hunger, J., Stoppa, A., Walther, M., Wynne, K. and Buchner, R. (2014) Dynamics of RTILs: a comparative dielectric and OKE study. Journal of Molecular Liquids, 192, pp. 19-25. (doi: 10.1016/j.molliq.2013.09.019)
Turton, D. A., Senn, H. , Harwood, T., Lapthorn, A. J. , Ellis, E. M. and Wynne, K. (2014) Terahertz underdamped vibrational motion governs protein-ligand binding in solution. Nature Communications, 5, p. 3999. (doi: 10.1038/ncomms4999)
Turton, D., Harwood, T., Lapthorn, A. , Ellis, E. and Wynne, K. (2013) Ultrabroadband terahertz spectroscopies of biomolecules and water. Proceedings of the SPIE: The International Society for Optical Engineering, 8623(862303), (doi: 10.1117/12.2003796)
Turton, D.A., Corsaro, C., Martin, D.F., Mallamace, F. and Wynne, K. (2012) The dynamic crossover in water does not require bulk water. Physical Chemistry Chemical Physics, 14(22), pp. 8067-8073. (doi: 10.1039/C2CP40703E)
Turton, D.A., Sonnleitner, T., Ortner, A., Walther, M., Hefter, G., Seddon, K.R., Stana, S., Plechkova, N.V., Buchner, R. and Wynne, K. (2012) Structure and dynamics in protic ionic liquids: a combined optical Kerr-effect and dielectric relaxation spectroscopy study. Faraday Discussions, 154, pp. 145-153. (doi: 10.1039/c1fd00054c)
Wynne, K. and Hunt, N.T. (2012) Ultrafast chemical dynamics. Physical Chemistry Chemical Physics, 14(18), pp. 6154-6155. (doi: 10.1039/c2cp90065c)
Garwe, F., Schmidt, A., Zieger, G., May, T., Wynne, K. , Hübner, U., Zeisberger, M., Paa, W., Stafast, H. and Meyer, H.-G. (2011) Bi-directional terahertz emission from gold coated nanogratings by excitation via femtosecond laser pulses. Applied Physics B: Lasers and Optics, 102(3), pp. 551-554. (doi: 10.1007/s00340-011-4377-7)
Turton, D.A., Hunger, J., Stoppa, A., Thoman, A., Candelaresi, M., Hefter, G., Walther, M., Buchner, R. and Wynne, K. (2011) Rattling the cage: Micro- to mesoscopic structure in liquids as simple as argon and as complicated as water. Journal of Molecular Liquids, 159(1), pp. 2-8. (doi: 10.1016/j.molliq.2010.04.005)
Turton, D.A., Corsaro, C., Candelaresi, M., Brownlie, A., Seddon, K.R., Mallamace, F. and Wynne, K. (2011) The structure and terahertz dynamics of water confined in nanoscale pools in salt solutions. Faraday Discussions, 150, pp. 493-504. (doi: 10.1039/c0fd00005a)
Turton, D.A., Martin, D.F. and Wynne, K. (2010) Optical Kerr-effect study of trans- and cis-1,2-dichloroethene: liquid–liquid transition or super-Arrhenius relaxation. Physical Chemistry Chemical Physics, 12(16), pp. 4191-4200. (doi: 10.1039/b918196b)
Turton, D.A., Hunger, J., Stoppa, A., Hefter, G., Thoman, A., Walther, M., Buchner, R. and Wynne, K. (2009) Dynamics of imidazolium ionic liquids from a combined dielectric relaxation and optical kerr effect study: evidence for mesoscopic aggregation. Journal of the American Chemical Society, 131(31), pp. 11140-11146. (doi: 10.1021/ja903315v)
Turton, D.A. and Wynne, K. (2009) Universal nonexponential relaxation: Complex dynamics in simple liquids. Journal of Chemical Physics, 131(20), p. 201101. (doi: 10.1063/1.3265862)
Welsh, G.H. and Wynne, K. (2009) Generation of ultrafast terahertz radiation pulses on metallic nanostructured surfaces. Optics Express, 17(4), pp. 2470-2480. (doi: 10.1364/OE.17.002470)
Turton, D.A., Hunger, J., Hefter, G., Buchner, R. and Wynne, K. (2008) Glasslike behavior in aqueous electrolyte solutions. Journal of Chemical Physics, 128(16), p. 161102. (doi: 10.1063/1.2906132)
Turton, D. and Wynne, K. (2008) Structural relaxation in the hydrogen-bonding liquids N-methylacetamide and water studied by optical Kerr effect spectroscopy. Journal of Chemical Physics, 128(15), p. 154516. (doi: 10.1063/1.2897432)
Hunt, N. T., Turner, A. R., Tanaka, H. and Wynne, K. (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. (doi: 10.1021/jp072409h)
Welsh, G. H., Turton, D. A., Jones, D. R., Jaroszynski, D. A. and Wynne, K. (2007) 200 ns pulse high-voltage supply for terahertz field emission. Review of Scientific Instruments, 78(4), 043103. (doi: 10.1063/1.2724769)
Hunt, N. T., Kattner, L., Shanks, R. P. and Wynne, K. (2007) The dynamics of water-protein interaction studied by ultrafast optical kerr-effect spectroscopy. Journal of the American Chemical Society, 129(11), pp. 3168-3172. (doi: 10.1021/ja066289n)
Welsh, G.H., 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. (doi: 10.1103/PhysRevLett.98.026803)
Hunt, N. T. and Wynne, K. (2006) The effect of temperature and solvation on the ultrafast dynamics of N-methylacetamide. Chemical Physics Letters, 431(1-3), pp. 155-159. (doi: 10.1016/j.cplett.2006.09.084)
Turton, D. A., Welsh, G. H., Carey, J. J., Reid, G. D., Beddard, G. S. and Wynne, K. (2006) Alternating high-voltage biasing for terahertz large-area photoconductive emitters. Review of Scientific Instruments, 77(8), 083111. (doi: 10.1063/1.2336764)
Wells, J.-P. R., Grinberg, M., Wynne, K. and Han, T.P.J. (2006) Femtosecond pump–probe measurements of non-radiative relaxation in LiAlO2:V3+. Journal of Physics: Condensed Matter, 18(16), pp. 3967-3974. (doi: 10.1088/0953-8984/18/16/006)
Hunt, N. T., Turner, A. R. and Wynne, K. (2005) Inter- and intramolecular hydrogen bonding in phenol derivatives: a model system for poly-l-tyrosine. Journal of Physical Chemistry B, 109(40), pp. 19008-19017. (doi: 10.1021/jp052964o)
Wynne, K. (2005) A new ultrafast technique for measuring the terahertz dynamics of chiral molecules: the theory of optical heterodyne-detected Raman-induced Kerr optical activity. Journal of Chemical Physics, 122(24), p. 244503. (doi: 10.1063/1.1937390)
Wynne, K. and Carey, J.J. (2005) An integrated description of terahertz generation through optical rectification, charge transfer, and current surge. Optics Communications, 256(4-6), pp. 400-413. (doi: 10.1016/j.optcom.2005.06.065)
Book Sections
Hunt, N. T., Turton, D. A., Kattner, L., Shanks, R. P. and Wynne, K. (2007) Direct observation of the 'lubricant of life' using ultrafast spectroscopies. In: Ultrafast Phenomena XV: Proceedings of the 15th International Conference, Pacific Grove, USA, July 30 – August 4, 2006. Series: Springer series in chemical physics, 88. Springer Berlin Heidelberg: Berlin, pp. 504-506. (doi: 10.1007/978-3-540-68781-8_163)
Conference Proceedings
Wynne, K. and Walton, F. (2018) Control Over Phase Separation and Nucleation Using a Optical-Tweezing Potential. In: SPIE Nanoscience + Engineering 2018, San Diego, CA, USA, 19-23 Aug 2018, 107230O. ISBN 9781510620179 (doi: 10.1117/12.2324119)
Research datasets
2024
Liao, Z. , Das, A., Glenn Robb, C., Beveridge, R. and Wynne, K. (2024) Amorphous aggregates with a very wide size distribution play a central role in crystal nucleation. [Data Collection]
Russell, B. A. and Wynne, K. (2024) A method for rheological measurements of air sensitive samples. [Data Collection]
2023
González-Jiménez, M. , Liao, Z. , Lloyd Williams, E. and Wynne, K. (2023) Lifting Hofmeister’s curse: Impact of cations on diffusion, hydrogen bonding and clustering of water. [Data Collection]
Russell, B., Gonzalez Jimenez, M. , Tukachev, N., Hayes, L.-A., Chowdhury, T., Javornik, U., Mali, G., Tassieri, M. , Farnaby, J. , Senn, H. and Wynne, K. (2023) A second glass transition observed in single-component homogeneous liquids due to intramolecular vitrification. [Data Collection]
González-Jiménez, M. , Barnard, T., Russell, B., Tukachev, N. , Javornik, U., Hayes, L.-A., Farrell, A., Guinane, S., Senn, H. , Smith, A., Wilding, M., Mali, G., Nakano, M., Miyazaki, Y., McMillan, P., Sosso, G. C. and Wynne, K. (2023) Understanding the emergence of the boson peak in molecular glasses. [Data Collection]
2022
Liao, Z. and Wynne, K. (2022) A metastable amorphous intermediate is responsible for laser-induced nucleation of glycine. [Data Collection]
Siria, D., Sanou, R., Mitton, J., Mwanga, E., Niang, A., Saré, I., Johnson, P. , Wynne, K. , Murray-Smith, R. , Ferguson, H. , Gonzalez Jimenez, M. , Babayan, S. , Diabaté, A., Okumu, F. and Baldini, F. (2022) Rapid age-grading and species identification of natural mosquitoes for malaria surveillance. [Data Collection]
2021
Gonzalez Jimenez, M. , Ramakrishnan, G., Tukachev, N., Senn, H. and Wynne, K. (2021) Low-frequency vibrational modes in G-quadruplexes reveal the mechanical properties of nucleic acids. [Data Collection]
2020
Lane, P. D., Reichenbach, J., Farrell, A., Ramakers, L. A., Adamczyk, K., Hunt, N. T. and Wynne, K. (2020) Experimental observation of nanophase segregation of aqueous salt solutions around the predicted liquid-liquid transition in water. [Data Collection]
Walton, F. , Bolling, J., Farrell, A., MacEwen, J., Syme, C. , Gonzalez Jimenez, M. , Senn, H. , Wilson, C. , Cinque, G. and Wynne, K. (2020) Polyamorphism mirrors polymorphism in the liquid–liquid transition of a molecular liquid. [Data Collection]
2018
Gonzalez Jimenez, M. , Babayan, S. , Khazaeli, P., Doyle, M., Walton, F., Reedy, E., Glew, T., Viana, M. , Ranford-Cartwright, L. , Niang, A., Siria, D. J., Okumu, F., Diabaté, A., Ferguson, H. , Baldini, F. and Wynne, K. (2018) Prediction of malaria mosquito species and population age structure using mid-infrared spectroscopy and supervised machine learning. [Data Collection]
Reichenbach, J. and Wynne, K. (2018) Frustration vs. Prenucleation: Understanding the Surprising Stability of Supersaturated Sodium Thiosulfate Solutions. [Data Collection]
2017
Syme, C. , Mosses, J., Gonzalez-Jimenez, M., Shebanova, O., Walton, F. and Wynne, K. (2017) Frustration of crystallisation by a liquid-crystal phase. [Data Collection]
2016
Gonzalez-Jimenez, M., Ramakrishnan, G., Harwood, T., Lapthorn, A. , Kelly, S. , Ellis, E. and Wynne, K. (2016) Observation of coherent delocalised phonon-like modes in DNA under physiological conditions. [Data Collection]