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Journal Articles

The presence of nanoparticles in aqueous droplets containing plant-derived biopolymers plays a role in heterogeneous ice nucleation

Paul Bieber, Ghinwa H. Darwish, W. Russ Algar, Nadine Borduas-Dedekind
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 094304 (2024)
https://doi.org/10.1063/5.0213171
Published: September 2024
View article titled, The presence of nanoparticles in aqueous droplets containing plant-derived biopolymers plays a role in heterogeneous ice nucleation
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Journal Articles

Mode coupling behavior and fragile to strong transition of trehalose in a binary mixture with water upon supercooling

Laura Lupi, Paola Gallo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 244501 (2024)
https://doi.org/10.1063/5.0218369
Published: June 2024
View article titled, Mode coupling behavior and fragile to strong transition of trehalose in a binary mixture with water upon supercooling
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Journal Articles

Structure and slow dynamics of protein hydration water with cryopreserving DMSO and trehalose upon cooling

Antonio Iorio, Leonardo Perin, Paola Gallo
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 244502 (2024)
https://doi.org/10.1063/5.0205569
Published: June 2024
View article titled, Structure and slow dynamics of protein hydration water with cryopreserving DMSO and trehalose upon cooling
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Journal Articles

Mixing water, sugar, and lipid: Conformations of isolated and micro-hydrated glycolipids in the gas phase

Ander Camiruaga, Alexandra Gouasmat, Jean-Marie Beau, Yann Bourdreux, Maélie Causse, Nathan Chapelle, Gilles Doisneau, Gildas Goldsztejn, Dominique Urban, Pierre Çarçabal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214313 (2024)
https://doi.org/10.1063/5.0211435
Published: June 2024
View article titled, Mixing water, sugar, and lipid: Conformations of isolated and micro-hydrated glycolipids in the gas phase
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Journal Articles

The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration

Michel Masella, Fabien Léonforté
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 204902 (2024)
https://doi.org/10.1063/5.0194968
Published: May 2024
View article titled, The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration
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Includes: Supplementary data
Journal Articles

Molecular modeling of the carbohydrate corona formation on a polyvinyl chloride nanoparticle and its impact on the adhesion to lipid bilayers

Daniel G. Angelescu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144901 (2024)
https://doi.org/10.1063/5.0198254
Published: April 2024
View article titled, Molecular modeling of the carbohydrate corona formation on a polyvinyl chloride nanoparticle and its impact on the adhesion to lipid bilayers
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Includes: Supplementary data
Journal Articles

Hydrogen bonding in glassy trehalose–water system: Insights from density functional theory and molecular dynamics simulations

Vitaly Kocherbitov, Denis Music, Valera Veryazov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 084504 (2024)
https://doi.org/10.1063/5.0194537
Published: February 2024
View article titled, Hydrogen bonding in glassy trehalose–water system: Insights from density functional theory and molecular dynamics simulations
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Includes: Supplementary data
Journal Articles

Celebrating 25 years of 2D IR spectroscopy

Carlos Baiz, Jens Bredenbeck, Minhaeng Cho, Thomas Jansen, Amber Krummel, Sean Roberts
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 010401 (2024)
https://doi.org/10.1063/5.0190809
Published: January 2024
View article titled, Celebrating 25 years of 2D IR spectroscopy
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Journal Articles

Unravelling the structural features of monosaccharide glyceraldehyde upon mono-hydration by quantum chemistry and rotational spectroscopy

E. M. Neeman, T. R. Huet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 194303 (2023)
https://doi.org/10.1063/5.0176546
Published: November 2023
View article titled, Unravelling the structural features of monosaccharide glyceraldehyde upon mono-hydration by quantum chemistry and rotational spectroscopy
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Includes: Supplementary data
Journal Articles

Hyper Rayleigh scattering from DNA nucleotides in aqueous solution

Christian Jonin, Maksymilian Dereniowski, Estelle Salmon, Csilla Gergely, Katarzyna Matczyszyn, Pierre-François Brevet
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054303 (2023)
https://doi.org/10.1063/5.0155821
Published: August 2023
View article titled, Hyper Rayleigh scattering from DNA nucleotides in aqueous solution
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Includes: Supplementary data
Journal Articles

Innovative all-organic dielectric composite for dielectric capacitor with great energy storage performance based on thermodynamic compatibility

Yue Zhang, Xin He, Sen Li, Changhai Zhang, Yongquan Zhang, Tiandong Zhang, Xuan Wang, Qingguo Chi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 214902 (2023)
https://doi.org/10.1063/5.0154440
Published: June 2023
View article titled, Innovative all-organic dielectric composite for dielectric capacitor with great energy storage performance based on thermodynamic compatibility
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Includes: Supplementary data
Journal Articles

2D-IR spectroscopy of carbohydrates: Characterization of thiocyanate-labeled β-glucose in CHCl3 and H2O

P. Gasse, T. Stensitzki, Y. Mai-Linde, T. Linker, H. M. Müller-Werkmeister
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 145101 (2023)
https://doi.org/10.1063/5.0139166
Published: April 2023
View article titled, 2D-IR spectroscopy of carbohydrates: Characterization of thiocyanate-labeled <em>β</em>-glucose in CHCl<sub>3</sub> and H<sub>2</sub>O
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Includes: Supplementary data
Journal Articles

Surfactant induced gelation of TEMPO-oxidized cellulose nanofibril dispersions probed using small angle neutron scattering

Julien Schmitt, Vincenzo Calabrese, Marcelo A. da Silva, Kazi M. Z. Hossain, Peixun Li, Najet Mahmoudi, Robert M. Dalgliesh, Adam L. Washington, Janet L. Scott, Karen J. Edler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 034901 (2023)
https://doi.org/10.1063/5.0129276
Published: January 2023
View article titled, Surfactant induced gelation of TEMPO-oxidized cellulose nanofibril dispersions probed using small angle neutron scattering
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Includes: Supplementary data
Journal Articles

Electron attachment to fluorodeoxyglucose: Dissociation dynamics in a molecule of near-zero electron affinity

Eugene Arthur-Baidoo, Milan Ončák, Stephan Denifl
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 074301 (2022)
https://doi.org/10.1063/5.0101726
Published: August 2022
View article titled, Electron attachment to fluorodeoxyglucose: Dissociation dynamics in a molecule of near-zero electron affinity
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Includes: Supplementary data
Journal Articles

Slow dynamics and time–composition superposition in gels of cellulose nanocrystals

Lise Morlet-Decarnin, Thibaut Divoux, Sébastien Manneville
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 214901 (2022)
https://doi.org/10.1063/5.0085660
Published: June 2022
View article titled, Slow dynamics and time–composition superposition in gels of cellulose nanocrystals
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Includes: Supplementary data
Journal Articles

Pattern selection of directionally oriented chitosan tubes

Cintia Hajdu, Pawan Kumar, Dezső Horváth, Ágota Tóth
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 134902 (2022)
https://doi.org/10.1063/5.0087961
Published: April 2022
View article titled, Pattern selection of directionally oriented chitosan tubes
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Includes: Supplementary data
Journal Articles

X-ray absorption spectra of aqueous cellobiose: Experiment and theory

Daisuke Akazawa, Takehiko Sasaki, Masanari Nagasaka, Motoyuki Shiga
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 044202 (2022)
https://doi.org/10.1063/5.0078963
Published: January 2022
View article titled, X-ray absorption spectra of aqueous cellobiose: Experiment and theory
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Includes: Supplementary data
Journal Articles

Covalently linked hydrogen bond donors: The other side of molecular frustration in deep eutectic solvents

Elizabeth A. Recker, David Hardy, Grace I. Anderson, Arsalan Mirjafari, Durgesh V. Wagle
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 084502 (2021)
https://doi.org/10.1063/5.0058165
Published: August 2021
View article titled, Covalently linked hydrogen bond donors: The other side of molecular frustration in deep eutectic solvents
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Includes: Supplementary data
Journal Articles

Molecular level insight into the solvation of cellulose in deep eutectic solvents

Vahideh Alizadeh, Barbara Kirchner
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 084501 (2021)
https://doi.org/10.1063/5.0058333
Published: August 2021
View article titled, Molecular level insight into the solvation of cellulose in deep eutectic solvents
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Includes: Supplementary data
Journal Articles

Cyclodextrin solubilization in hydrated reline: Resolving the unique stabilization mechanism in a deep eutectic solvent

Ilan Shumilin, Daniel Harries
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 224505 (2021)
https://doi.org/10.1063/5.0052537
Published: June 2021
View article titled, Cyclodextrin solubilization in hydrated reline: Resolving the unique stabilization mechanism in a deep eutectic solvent
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Includes: Supplementary data