2024

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)

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

Wu, X., McEleney, C. A., Shi, Z., González-Jiménez, M. and Macêdo, R. (2022) Asymmetric reflection induced in reciprocal hyperbolic materials. ACS Photonics, 9(8), pp. 2774-2782. (doi: 10.1021/acsphotonics.2c00551) (PMID:35996366) (PMCID:PMC9389604)

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)

Manjakkal, L. , Fantinelli Franco, F. , Pullanchiyodan, A., González-Jiménez, M. and Dahiya, R. (2021) Natural jute fibre-based supercapacitors and sensors for eco-friendly energy autonomous systems. Advanced Sustainable Systems, 5(3), 2000286. (doi: 10.1002/adsu.202000286)

2020

Macêdo, R. , McEleney, C.A., González-Jiménez, M. and Wu, X. (2020) Unidirectional light propagation in natural crystals. Optics and Photonics News, 31(12), p. 53. (doi: 10.1364/OPN.31.12.000053)

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)

2019

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)

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)

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)

González-Jiménez, M. , Arenas-Valgañón, J., García-Santos, M. d. P., Calle, E. and Casado, J. (2017) Mutagenic products are promoted in the nitrosation of tyramine. Food Chemistry, 216, pp. 60-65. (doi: 10.1016/j.foodchem.2016.08.006) (PMID:27596392)

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)

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)

2014

Arenas-Valgañón, J., Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M. , Calle, E. and Casado, J. (2014) Interference by nitrous acid decomposition in the kinetic study of nitrosation reactions. International Journal of Chemical Kinetics, 46(6), pp. 321-327. (doi: 10.1002/kin.20843)

2013

González-Jiménez, M. , Arenas-Valgañón, J., Céspedes-Camacho, I. F., García-Prieto, J. C., Calle, E. and Casado, J. (2013) Detection of nitrite in water using minoxidil as a reagent. Journal of Chemical Education, 90(8), pp. 1053-1056. (doi: 10.1021/ed300711f)

2012

Arenas-Valgañón, J., Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M. , Calle, E. and Casado, J. (2012) Taurine–nitrite interaction as a precursor of alkylation mechanisms. Food Chemistry, 134(2), pp. 986-991. (doi: 10.1016/j.foodchem.2012.03.005) (PMID:23107717)

Céspedes-Camacho, I. F., Manso, J. A., González-Jiménez, M. , Calle, E. and Casado, J. (2012) The reactivity of vinyl compounds as alkylating agents. Monatshefte für Chemie - Chemical Monthly, 143(5), pp. 723-727. (doi: 10.1007/s00706-012-0736-2)

2011

González-Jiménez, M. , Arenas-Valgañón, J., Calle, E. and Casado, J. (2011) Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil. Organic and Biomolecular Chemistry, 9(22), pp. 7680-7684. (doi: 10.1039/C1OB05686G) (PMID:21779549)

Articles

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)

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)

Wu, X., McEleney, C. A., Shi, Z., González-Jiménez, M. and Macêdo, R. (2022) Asymmetric reflection induced in reciprocal hyperbolic materials. ACS Photonics, 9(8), pp. 2774-2782. (doi: 10.1021/acsphotonics.2c00551) (PMID:35996366) (PMCID:PMC9389604)

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)

Manjakkal, L. , Fantinelli Franco, F. , Pullanchiyodan, A., González-Jiménez, M. and Dahiya, R. (2021) Natural jute fibre-based supercapacitors and sensors for eco-friendly energy autonomous systems. Advanced Sustainable Systems, 5(3), 2000286. (doi: 10.1002/adsu.202000286)

Macêdo, R. , McEleney, C.A., González-Jiménez, M. and Wu, X. (2020) Unidirectional light propagation in natural crystals. Optics and Photonics News, 31(12), p. 53. (doi: 10.1364/OPN.31.12.000053)

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)

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)

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)

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)

González-Jiménez, M. , Arenas-Valgañón, J., García-Santos, M. d. P., Calle, E. and Casado, J. (2017) Mutagenic products are promoted in the nitrosation of tyramine. Food Chemistry, 216, pp. 60-65. (doi: 10.1016/j.foodchem.2016.08.006) (PMID:27596392)

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)

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)

Arenas-Valgañón, J., Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M. , Calle, E. and Casado, J. (2014) Interference by nitrous acid decomposition in the kinetic study of nitrosation reactions. International Journal of Chemical Kinetics, 46(6), pp. 321-327. (doi: 10.1002/kin.20843)

González-Jiménez, M. , Arenas-Valgañón, J., Céspedes-Camacho, I. F., García-Prieto, J. C., Calle, E. and Casado, J. (2013) Detection of nitrite in water using minoxidil as a reagent. Journal of Chemical Education, 90(8), pp. 1053-1056. (doi: 10.1021/ed300711f)

Arenas-Valgañón, J., Gómez-Bombarelli, R., González-Pérez, M., González-Jiménez, M. , Calle, E. and Casado, J. (2012) Taurine–nitrite interaction as a precursor of alkylation mechanisms. Food Chemistry, 134(2), pp. 986-991. (doi: 10.1016/j.foodchem.2012.03.005) (PMID:23107717)

Céspedes-Camacho, I. F., Manso, J. A., González-Jiménez, M. , Calle, E. and Casado, J. (2012) The reactivity of vinyl compounds as alkylating agents. Monatshefte für Chemie - Chemical Monthly, 143(5), pp. 723-727. (doi: 10.1007/s00706-012-0736-2)

González-Jiménez, M. , Arenas-Valgañón, J., Calle, E. and Casado, J. (2011) Aromatic C-nitrosation of a bioactive molecule. Nitrosation of minoxidil. Organic and Biomolecular Chemistry, 9(22), pp. 7680-7684. (doi: 10.1039/C1OB05686G) (PMID:21779549)