ISA Publications 2025
Journals
An autoencoder for compressing angle-resolved photoemission spectroscopy data
Agústsson, SY; Haque, MA; Truong, TT; Bianchi, M; Klyuchnikov, N; Mottin, D; Karras, P; Hofmann, P
Machine Learning-Science And Technology 6(1), 15019, (2025)
DOI: 10.1088/2632-2153/ada8f2
Cyclohexane Vibronic States: A Combined VUV Spectroscopy and Theoretical Study
Bandeira, E; Barbosa, AS; Jones, NC; Hoffmann, SV; Bettega, MHF; Limao-Vieira, P
Molecules 30(7), 1493, (2025)
DOI: 10.3390/molecules30071493
Chlorocyclohexane Valence and Rydberg Electronic Excitations
Bandeira, E; Kumar, S; Barbosa, AS; Jones, NC; Hoffmann, SV; Bettega, MHF; Limao-Vieira, P
Journal Of Physical Chemistry A 129(17) p3857-3866, (2025)
DOI: 10.1021/acs.jpca.5c01122
Interatomic Coulombic decay in lithium-doped large helium nanodroplets induced by photoelectron impact excitation
Ben Ltaief, L., Sishodia, K., Asmussen, J. D., Abid, A. R., Krishnan, S., Pedersen, H. B., Sisourat, N., Mudrich, M.
Reports on Progress in Physics 88, 037901, (2025)
DOI: 10.1088/1361-6633/ada9c6
Use of emulsifying plant protein hydrolysates from winery, whiskey and brewery by-products for the development of echium oil delivery emulsions
Bisinotto, MS; Castro, I; Maldonado-Valderrama, J; Jones, NC; del Castillo-Santaella, T; Hoffmann, SV; Guadix, EM; García-Moreno, PJ
International Journal Of Biological Macromolecules 308, 142736, (2025)
DOI: 10.1016/j.ijbiomac.2025.142736
ChiraKit: an online tool for the analysis of circular dichroism spectroscopy data
Burastero, O; Jones, NC; Defelipe, LA; Zavrtanik, U; Hadzi, S; Hoffmann, SV; Garcia-Alai, MM
Nucleic Acids Research 53(W1) pW158-W168, (2025)
DOI: 10.1093/nar/gkaf350
Key spectroscopic features of pyrazine lowest-lying 1B1u and 1B2u states
Dalagnol, L. V. S., Bandeira, E., Jones, N. C., Hoffmann, S. V., Bettega, M. H. F., Limao-Vieira, P.
Chemical Physics Letters 870, 142075, (2025)
DOI: 10.1016/j.cplett.2025.142075
On the valence shell spectroscopy of 1,2-dichlorobenzene
Dalagnol, L. V. S., Kumar, S., Souza Barbosa, A., Akther, U. S., Jones, N. C., Hoffmann, S. V., Bettega, M. H. F., Limao-Vieira, P.
Journal of Photochemistry and Photobiology, A: Chemistry 461, 116153, (2025)
DOI: 10.1016/j.jphotochem.2024.116153
Enhancing Rheological and Textural Properties of Pea Protein-Collagen Gels via Transglutaminase crosslinking
Eslami, P., Haritos, V., Crawford, S., van ‘t Hag, L.
Food Structure 43, 100409, (2025)
DOI: 10.1016/j.foostr.2025.100409
Cryo-EM analysis of complement C3 reveals a reversible major opening of the macroglobulin ring
Gadeberg, T.A.F., Jørgensen, M.H., Olesen, H.G. et al.
Nat Struct Mol Biol 32 p884-895, (2025)
DOI: 10.1038/s41594-024-01467-4
Distinct Diffusion and Recombination Dynamics of Atomic Carbon and Oxygen on Face-Centered Cubic and Body-Centered Cubic Iron Multilayers
Han, X., Ren, P., Rodríguez, D. G., Wang, H., Yu, X., Zhou, X., Xu, J., Wen, X.-D., Yang, Y., Niemantsverdriet, J. W. H., Weststrate, C. J., Gubo, R.
ACS Nano 19(11) p11120-11132, (2025)
DOI: 10.1021/acsnano.4c18025
Adsorption and Thermal Stability of Ionic Liquid Multilayers on ZnO Surfaces
Henderson, Z., Cole, J., Thomas, A. G., Jones, R. G, Wagstaffe, M., Avila,, J., Asensio, M. C., Li, Z., Syres, K.
Surfaces 8(2), 29, (2025)
DOI: 10.3390/surfaces8020029
Protein secondary structure determined from independent and integrated infra-red absorbance and circular dichroism data using the algorithm SELCON
Hoffmann, S. V., Jones, N. C., Rodger, A.
QRB Discovery 6, e10, (2025)
DOI: 10.1017/qrd.2025.4
Silicon oxide nanoparticles grown on graphite by co-deposition of the atomic constituents
Holleufer, S. F., Hopkinson, A. T., Sutherland, D. S., Li, Z., Lauritsen, J. V., Hornekaer, L., Cassidy, A.
PCCP 27 p13906-13916, (2025)
DOI: 10.1039/D5CP01089F
Direct View of Gate-Tunable Miniband Dispersion in Graphene Superlattices Near the Magic Twist Angle.
Jiang, Z., Lee, D., Jones, A. J. H., Park, Y., Hsieh, K., Majchrzak, P., Sahoo, C., Nielsen, T. S., Watanabe, K., Taniguchi, T., Hofmann, P., Miwa, J. A., Chen, Y. P., Jung, J., & Ulstrup, S.
ACS Nano 19(2) p2379-2387, (2025)
DOI: 10.1021/acsnano.4c12905
A spatial- and angle-resolved photoemission spectroscopy beamline based on capillary optics at ASTRID2.
Jones, A. J. H., Majchrzak, P. E., Volckaert, K., Biswas, D., Andersen, J. E. V., Hoffmann, S. V., Jones, N. C., Jiang, Z., Chen, Y. P., Jensen, M. L., Stenshøj, R. Ø., Bianchi, M., Hofmann, P., Ulstrup, S., Miwa, J. A.
Review of Scientific Instruments 96(2), 025109, (2025)
DOI: 10.1063/5.0240744
Vacuum ultraviolet spectroscopy of pyrimidine derivatives: the effect of halogenation
Kossoski, F; Mendes, M; Lozano, AI; Rodrigues, R; Jones, NC; Hoffmann, SV; da Silva, FF
Physical Chemistry Chemical Physics 27(18) p9687-9701, (2025)
DOI: 10.1039/d5cp00198f
Cubosome lipid nanocarriers for delivery of ultra-short antimicrobial peptides
Lakic, B., Beh, C., Sarkar, S., Yap, S.-L., Cardoso, P., Valery, C., Hung, A., Jones, N. C., Hoffmann, S. V., Blanch, E. W., Dyett, B. & Conn, C. E.
Journal Of Colloid And Interface Science 677(A) p1080-1097, (2025)
DOI: 10.1016/j.jcis.2024.07.232
How allosteric mutations control ligand binding in Lipocalin protein: odorant binding protein as a test case
Lalis, M., Moitrier, L., Jäger, M., Meinert, C., Brulé, M., Belloir, C., Jones, N. C., Hoffmann, S. V., Fiorucci, S., Wolf, S., Briand, L., Topin, J.
Cell. Mol. Life Sci. 82, 250, (2025)
DOI: 10.1007/s00018-025-05777-8
Crystal structure of Anopheles gambiae actin depolymerizing factor explains high affinity to monomeric actin
Lasiwa, D., Kursula, I.
FEBS Journal 292(9) p2381-2397, (2025)
DOI: 10.1111/febs.70007
Functional insights into Plasmodium actin depolymerizing factor interactions with phosphoinositides
Lasiwa, D., Kursula, I.
Journal of Biological Chemistry 301(7), 110399, (2025)
DOI: 10.1016/j.jbc.2025.110399
Surface compositional modification of Weyl semimetal Co3Sn2S2(0001) from vacuum to electrochemical water splitting conditions
Ma, L., Nemet, N. A. I., Bremholm, M., Sun, Z., Vestergaard, A., Li, Z., Lauritsen, J. V.
Applied Surface Science 686, 162046, (2025)
DOI: 10.1016/j.apsusc.2024.162046
Machine-learning approach to understanding ultrafast carrier dynamics in the three-dimensional Brillouin zone of PtBi2
Majchrzak, P; Sanders, C; Zhang, Y; Kuibarov, A; Suvorov, O; Springate, E; Kovalchuk, I; Aswartham, S; Shipunov, G; Büchner, B; Yaresko, A; Borisenko, S; Hofmann, P
Physical Review Research 7(1), 13025, (2025)
DOI: 10.1103/PhysRevResearch.7.013025
Adjuvant Effect of Mesoporous Silica SBA-15 of Different Morphologies on Antidiphtheria Immune Response
Miranda, MCR; Nunes, CM; Losito, DW; Rocha, FM; Pedro, JAF; Favoretto, BC; Teobaldo, GBM; da Silva, LCC; Lopes, JLS; Oliveira, CLP; Fantini, MCA; Ribeiro, OG; Sant'anna, OA; Martins, TS
ACS OMEGA 10(25) p27534-27549, (2025)
DOI: 10.1021/acsomega.5c03459
Electronic transitions of the purpurin dye. UV–vis polarization spectroscopy and quantum chemical predictions
Nguyen, D. D., Jones, N. C., Hoffmann, S. V., Spanget-Larsen, J.
Chemical Physics,598 112848 (2025)
DOI: 10.1016/j.chemphys.2025.112848
The low-lying electronic states of 4H-pyran-4-thione; a photoionization and vacuum ultraviolet absorption study, with interpretation by configuration interaction and density functional calculations for the ionic and singlet states
Palmer, M. H., Kivimaki, A., Hoffmann, S. V., Jones, N. C., Coreno, M., de Simone, M., Grazioli, C., Aitken, A., Patterson, I. L. J., Perrault, L.
Journal Of Chemical Physics 162(3), 034304, (2025)
DOI: 10.1063/5.0243859
The singlet excited states of fulvene and of its 6,6-dimethyl derivative; a combined study of their energy levels by absorption spectroscopy, configuration interaction and density functional calculations
Palmer, M. H., Hoffmann, S. V., Jones, N. C., Coreno, M., De Simone, M., Grazioli, C., Aitken, R. A., Patterson, I. L. J.
Journal Of Chemical Physics 163(13), 024323, (2025)
DOI: 10.1063/5.0278573
Electronic states of epigallocatechin-3-gallate in water and in DPPG liposomes
Pires, F., Tzeli, D., Jones, N. C., Hoffmann, S. V., Raposo, M.
Int. J. Molecular Sciences 26(3), 1084, (2025)
DOI: 10.3390/ijms26031084
The electronic spectra of trifluoroacetic acid and chlorodifluoroacetic acid in the 4.5 – 10.8 eV photon energy region
Puppi, P. S., Souza Barbosa, A., Jones, N. C., Hoffmann, S. V., Akther, U. S., Mason, N. J., Limao-Vieira, P.
Journal of Quantitative Spectroscopy and Radiative Transfer 330, 109257, (2025)
DOI: 10.1016/j.jqsrt.2024.109257
The electronic states of 2-chlorotoluene in the 4.0–10.8 eV photon energy range
Randi, P. A. S., Kumar, S., Souza Barbosa, A., Akther, U. S., Jones, N. C., Hoffmann, S. V., Bettega, M. H. F., Limao-Vieira, P.
Journal of Molecular Science 14, 141045, (2025)
DOI: 10.1016/j.molstruc.2024.141045
Ring strain integrity in the absorption spectrum of ß-propiolactone: VUV spectroscopy in the photon energy 4.6–10.8 eV
Randi, P. A. S., Bettega, M. H. F., Jones, N. C., Hoffmann, S. V., Zuin, L., Macdonald, M., Mason, N. J., Smialek, M. A., Limao-Vieira, P.
Journal of Photochemistry and Photobiology, A: Chemistry 469(11), 116573, (2025)
DOI: 10.1016/j.jphotochem.2025.116573
Ring opening upon valence shell excitation in ß-butyrolactone: experimental and theoretical methods
Randi, P. A. S., Bettega, M. H. F., Jones, N. C., Hoffmann, S. V., Smialek, M. A., Limao-Vieira, P.
Molecules, Accepted (2025)
DOI:
Assessing the interaction between the N-terminal region of the membrane protein magnesium transporter A and a lipid bilayer
Skog, A. E., Jones, N. C., Månsson, L. K., Morth, J. P., Hoffmann, S. V., Gerelli, Y., Skepö, M.
Journal Of Colloid And Interface Science 683 p663-674, (2025)
DOI: 10.1016/j.jcis.2024.12.064
Direct Observation of 2DEG States in Shallow Si:Sb d-Layers
Strand, F. S., Cooil, S. P., Campbell, Q. T., Flounders, J. J., Røst, H. I., Åsland, A. C., Skarpeid, A. J., Stalsberg, M. P., Hu, J., Bakkelund, J., Bjelland, V., Preobrajenski, A. B., Li, Z., Bianchi, M., Miwa, J. A., Wells, J W.
Journal of Physical Chemistry C 129(2) p1339-1347, (2025)
DOI: 10.1021/acs.jpcc.4c07331
Multidimensional Decomposition and Ensemble Modeling of Histatin 1 and Its Siblings: Detailing Structure and Biological Function Using an Integrative Approach
Svensson, O., Gerelli, Y., Skepö, M.
J. Chem. Inf. Model 65 p7089-7101, (2025)
DOI: 10.1021/acs.jcim.5c00854
Structural recognition and stabilization of tyrosine hydroxylase by the J-domain protein DNAJC12
Tai, MDS; Ochoa, L; Flydal, MI; Velasco-Carneros, L; Muntaner, J; Santiago, C; Gamiz-Arco, G; Moro, F; Jung-KC, K; Gil-Cantero, D; Marcilla, M; Kallio, JP; Muga, A; Valpuesta, JM; Cuéllar, J; Martinez, A
Nature Communications 16(1), 2755, (2025)
DOI: 10.1038/s41467-025-57733-6
X-ray spectroscopy characterization of cobalt stabilization within a monolayer carbon nitride in the oxygen evolution reaction
Vestergaard, A. K., Gammelgaard, J. J., Sun, Z., Zhao, S., Li, Z., Lock, N., Daasbjerg, K., & Lauritsen, J. V.
Physical chemistry chemical physics : PCCP 27(10) p5326-5337, (2025)
DOI: 10.1039/d4cp04148h
Properties of a Co-Porphyrin 2D Covalent Monolayer on Au(111) for the Oxygen Reduction and Evolution Reaction
Vestergaard, A. K., Zhao, S., Leidinger, P. M., Sun, Z., Daasbjerg, K., Lauritsen, J. V.
Journal of Physical Chemistry C 129(27) p12341-12350, (2025)
DOI: 10.1021/acs.jpcc.5c02774
Photochemical Evolution of Alanine in Association with the Martian Soil Analog Montmorillonite: Insights Derived from Experiments Conducted on the International Space Station
Wipf, S., Mabey, P., Urso, R. G., Wolf, S., Stok, A., Ricco, A. J., Quinn, R. C., Mattioda, A. L., Jones, N. C., Hoffmann, S. V., Cottin, H., Chaput, D., Ehrenfreund, P., Elsaesser, A.
Astrobiology 25(2) p97-114, (2025)
DOI: 10.1089/ast.2024.0034
Plant vs Dairy protein stabilised cappuccino foams: how protein and hydrocolloid conformational changes affect foam stability
Wüest, S; Buczkowski, J; Jones, NC; Hoffmann, SV; Fischer, P; Wooster, TJ
FOOD HYDROCOLLOIDS 169, 111621, (2025)
DOI: 10.1016/j.foodhyd.2025.111621
Effect of pH and salt on the structure and thermal properties of pea legumin and vicilin
Zhang, Y., Jones, N. C., Hoffmann, S. V., Corredig, M.
Food Hydrocolloids 168, 111548, (2025)
DOI: 10.1016/j.foodhyd.2025.111548
Conference Proceedings
Last Modified 24 July 2025