Atoms in molecules in real space: a fertile field for chemical bonding

ÁM Pendás, E Francisco, D Suárez… - Physical Chemistry …, 2023 - pubs.rsc.org
In this perspective, we review some recent advances in the concept of atoms-in-molecules
from a real space perspective. We first introduce the general formalism of atomic weight …

Sheath-core structured Ca-alginate/PVA aerogel fibers via directed freezing wet-spinning

F Guan, Z Li, J Tian, Y Zhang, J Sun, J Guo… - International Journal of …, 2023 - Elsevier
Biomass-based aerogel fibers have attracted increasing attention due to their renewable
nature. However, their disadvantages, such as low mechanical strength, poor long-range …

In-situ microstructure regulation towards feasible production of self-reinforced lignocellulose nanopaper with multifunctionality

L Zhou, X Liu, S Jiang, X Wang, Z Meng, X Li… - Industrial Crops and …, 2023 - Elsevier
Lignocellulose is an all-natural structural material with huge potential for a wide range of
applications. Extensive studies have designed high-strength LNP via tuning the size/surface …

Noncovalent interactions in N-methylurea crystalline hydrates

AS Kazachenko, N Issaoui, U Holikulov… - Zeitschrift für …, 2024 - degruyter.com
Urea and its derivatives play a significant role in modern organic chemistry and find
application in various fields. This study presents the results of investigations of N-methylurea …

Theoretical and experimental approach on investigation of ethylurea-water clusters

AS Kazachenko, U Holikulov, N Issaoui… - Zeitschrift für …, 2024 - degruyter.com
Alkylated urea derivatives have found wide application as starting materials for the
production of many drugs, including anticancer drugs, as well as in many other areas. In this …

Exploring potential of cellulose acetate sulfate films for sustainable packaging: tuning characteristics via sulfate group variation

S Park, S Yoo, SM Cho, H Park, D Cruz, SS Kelley… - Cellulose, 2024 - Springer
Due to the inherent advantages of cellulose derivatives, there has been a dedicated focus in
research to employ them as alternatives to synthetic materials. In this study, we investigated …

[HTML][HTML] Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine

JI Salazar-Barrientos, JM Guevara-Vela… - Molecules, 2025 - mdpi.com
Cisplatin is still a first-line agent in cancer treatment due to its effectiveness. Despite the
large body of research concerning this drug, the role of explicit water molecules in its …

Reactivity of hydrogen-bonded complexes of water, methanol, phenol and methyl amine

A Samuilov, Y Samuilov - New Journal of Chemistry, 2023 - pubs.rsc.org
The donor–acceptor and acid–base properties of organic compounds largely determine the
reactivity of organic compounds. Adiabatic ionization potentials, electron affinities, proton …

On the rearrangements of biologically-relevant vinyl allene oxides to cis-cyclopentenones, ketols, and Favorskii-type carboxylic acids

P Villar, AN Grechkin, AB González-Pérez… - Organic & Biomolecular …, 2021 - pubs.rsc.org
In addition to stereodefined cis-cyclopentenones, the rearrangement of naturally-occurring
vinyl allene oxides can provide ketols, cyclopropylcarbinols, and Favorskii-type bis-(Z)-but-2 …

Applications of the quantum theory of atoms in molecules and the interacting quantum atoms methods to the study of hydrogen bonds

JM Guevara-Vela, A Fernández-Alarcón… - Advances in Quantum …, 2023 - Elsevier
Hydrogen bonds are noncovalent interactions of paramount importance throughout physics,
chemistry, and biology. Therefore, there have been numerous efforts to understand its most …