Develo** a carbon composite hydrogel with a highly conductive network to improve strain sensing performance

X Wang, G Wang, W Liu, D Yu, X Liu, G Li, Z Song… - Carbon, 2024 - Elsevier
Both carbon aerogels and conductive hydrogels have provoked immense research interest
as flexible sensing materials. However, conventional carbon aerogels show limited …

Connecting diffraction experiments and network analysis tools for the study of hydrogen-bonded networks

I Bakó, S Pothoczki, L Pusztai - The Journal of Physical Chemistry …, 2023 - ACS Publications
A self-consistent scheme is presented that is applicable for revealing details of the
microscopic structure of hydrogen-bonded liquids, including the description of the hydrogen …

Molecular Dynamics Study of Thermophysical and Mechanical Properties in Hydrated Lignin with Compositions Close to Softwood

JL Bregado, F Souto, AR Secchi… - ACS Sustainable …, 2022 - ACS Publications
The hydrogen bonding network analysis of softwood lignin is relevant to designing novel
technologies to overcome the recalcitrance of plant biomass in the industrial deconstruction …

Properties of hydrogen-bonded networks in ethanol–water liquid mixtures as a function of temperature: Diffraction experiments and computer simulations

S Pothoczki, I Pethes, L Pusztai… - The Journal of …, 2021 - ACS Publications
New X-ray and neutron diffraction experiments have been performed on ethanol–water
mixtures as a function of decreasing temperature, so that such diffraction data are now …

Variations of the hydrogen bonding and hydrogen-bonded network in ethanol–water mixtures on cooling

S Pothoczki, L Pusztai, I Bakó - The Journal of Physical Chemistry …, 2018 - ACS Publications
Molecular dynamics computer simulations have been conducted for ethanol–water liquid
mixtures in the water-rich side of the composition range, with 10, 20, and 30 mol% of …

Optimal Preservation of PFFs in Glycerol Enhances Suitability for Modeling Parkinson's Disease

H Mao, Y Kuang, W Huang, T Gan, W Dai, W Guo… - Small, 2024 - Wiley Online Library
Injecting α‐synuclein pre‐formed fibrils (αSyn PFFs) into various tissues and organs
involves converting monomeric αSyn into a fibrillar form, inducing extensive αSyn pathology …

Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs

I Pethes, I Bakó, L Pusztai - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Hydrogen bonding to chloride ions has been frequently discussed over the past 5 decades.
Still, the possible role of such secondary intermolecular bonding interactions in hydrogen …

Molecular dynamics simulations of aqueous solutions of short chain alcohols. Excess properties and the temperature of maximum density

EG Pérez, D González-Salgado, E Lomba - Fluid Phase Equilibria, 2021 - Elsevier
The excess enthalpy h E and excess volume v E of the binary systems {methanol, ethanol, 1-
propanol, 2-propanol, and tert-butanol+ water} over the whole composition range at 298.15 …

Intermolecular interactions in an equimolar methanol-water mixture: Neutron scattering, DFT, NBO, AIM, and MD investigations

S Trabelsi, M Tlili, H Abdelmoulahi, S Bouazizi… - Journal of Molecular …, 2022 - Elsevier
A detailed analysis of equimolar methanol–water (MeW) liquid structure at 298 K and
atmospheric pressure is performed using neutron scattering, Density Functional Theory …

Molecular dynamics simulation studies of the temperature-dependent structure and dynamics of isopropanol–water liquid mixtures at low alcohol content

S Pothoczki, L Pusztai, I Bakó - The Journal of Physical Chemistry …, 2019 - ACS Publications
Series of molecular dynamics simulations for 2-propanol–water mixtures, as a function of
temperature (between freezing and room temperature) and composition (x ip= 0, 0.5, 0.1 …