Neutral peptides in the gas phase: conformation and aggregation issues

E Gloaguen, M Mons, K Schwing… - Chemical Reviews, 2020 - ACS Publications
Combined IR and UV laser spectroscopic techniques in molecular beams merged with
theoretical approaches have proven to be an ideal tool to elucidate intrinsic structural …

Selective and sensitive CQD-based sensing platform for Cu2+ detection in Wilson's disease

A Zarei, A Rezaei, M Shahlaei, Z Asani, A Ramazani… - Scientific Reports, 2024 - nature.com
Excessive Cu2+ intake can cause neurological disorders (eg Wilson's disease) and
adversely affect the gastrointestinal, liver, and kidney organs. The presence of Cu2+ is …

Therapeutic Potential of B12N12-X (X = Au, Os, and Pt) Nanostructured as Effective Fluorouracil (5Fu) Drug Delivery Materials

K Chukwuemeka, H Louis, I Benjamin… - ACS Applied Bio …, 2023 - ACS Publications
In view of the research-substantiated comparative efficiency of nontoxic and bioavailable
nanomaterials synergic with human systems for drug delivery, this work was aimed at …

Thiazole-pyrazoline hybrids as potential antimicrobial agent: Synthesis, biological evaluation, molecular docking, DFT studies and POM analysis

RHH Salih, AH Hasan, NH Hussen, FE Hawaiz… - Journal of Molecular …, 2023 - Elsevier
In this study, an efficient synthesis of new thiazole-pyrazoline hybrids was investigated and
hybrids were screened for their antimicrobial activities against four species of pathogenic …

Chitin extraction from crab shells and synthesis of chitin@ metakaolin composite for efficient amputation of Cr (VI) ions

JS Algethami, R Jugade, RB El Kaim, L Bahsis… - Environmental …, 2024 - Elsevier
The present research study combines chitin from shrimp waste with the oxide-rich
metakaolin. Metakaolin is a blend of mixed oxides rich in silica and alumina with good …

Isolated neutral peptides

E Gloaguen, M Mons - Gas-Phase IR Spectroscopy and Structure of …, 2015 - Springer
This chapter examines the structural characterisation of isolated neutral amino-acids and
peptides. After a presentation of the experimental and theoretical state-of-the-art in the field …

Water Arrangements upon Interaction with a Rigid Solute: Multiconfigurational Fenchone-(H2O)4–7 Hydrates

E Burevschi, M Chrayteh… - Journal of the …, 2024 - ACS Publications
Insight into the arrangements of water molecules around solutes is important to understand
how solvation proceeds and to build reliable models to describe water–solute interactions …

Modeling of Cu, Ag, and Au-decorated Al12Se12 nanostructured as sensor materials for trap** of chlorpyrifos insecticide

MA Akpe, H Louis, TE Gber, CM Chima… - Computational and …, 2023 - Elsevier
Although Chlorpyrifos which is also called chlorpyrifos ethyl an organophosphate
insecticide, acaricide and miticide has been reported to have been primarily use in the …

Characterizing molecular interactions in chemical systems

D Günther, RA Boto, J Contreras-Garcia… - IEEE transactions on …, 2014 - ieeexplore.ieee.org
Interactions between atoms have a major influence on the chemical properties of molecular
systems. While covalent interactions impose the structural integrity of molecules …

Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl) indolizine-1, 2 …

RD Nagdeve, JS Thakur… - Journal of Molecular …, 2024 - Elsevier
Abstract The diethyl 3-(4-substitutedbenzoyl) indolizine-1, 2-dicarboxylates have been
synthesized by reacting the electron-deficient diethyl but-2-ynedioate with 1-(2-(4 …