[HTML][HTML] Hydrogen bonds interactions in biuret-water clusters: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NLO analysis

AS Kazachenko, N Issaoui, A Sagaama… - Journal of King Saud …, 2022 - Elsevier
In this work, we studied intermolecular aqueous clusters of biuret, an important urea
derivative. FTIR showed an increase in the intensity of absorption bands when water …

Intermolecular hydrogen bonds interactions in water clusters of ammonium sulfamate: FTIR, X-ray diffraction, AIM, DFT, RDG, ELF, NBO analysis

AS Kazachenko, F Akman, H Abdelmoulahi… - Journal of Molecular …, 2021 - Elsevier
Ammonium sulfamate is an important sulfamic acid derivative. It has found wide application
as a herbicide, fire-resistant agent, etc. In this work, we investigated intermolecular aqueous …

[HTML][HTML] Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19 …

O Noureddine, N Issaoui, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
Abstract Structure− activity relationships for hydroxychloroquine compound and its
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …

Insight into non-covalent interactions in a tetrachlorocadmate salt with promising NLO properties: experimental and computational analysis

I Jomaa, N Issaoui, T Roisnel, H Marouani - Journal of Molecular Structure, 2021 - Elsevier
This paper deals with the crystal structure of the new non-centrosymmetric organic-inorganic
hybrid material,(C 6 H 14 N) 2 [CdCl 4]. Single crystal X-ray diffraction analysis shows that …

Sulfation of diethylaminoethyl-cellulose: QTAIM topological analysis and experimental and DFT studies of the properties

A Kazachenko, F Akman, M Medimagh, N Issaoui… - ACS …, 2021 - ACS Publications
Sulfated cellulose derivatives are biologically active substances with anticoagulant
properties. In this study, a new sulfated diethylaminoethyl (DEAE)-cellulose derivative has …

5-((1H-imidazol-1-yl) methyl) quinolin-8-ol as potential antiviral SARS-CoV-2 candidate: Synthesis, crystal structure, Hirshfeld surface analysis, DFT and molecular …

D Douche, Y Sert, SA Brandán, AA Kawther… - Journal of molecular …, 2021 - Elsevier
A potential new drug to treat SARS-CoV-2 infections and chloroquine analogue, 5-((1H-
imidazol-1-yl) methyl) quinolin-8-ol (DD1) has been here synthesized and characterized by …

Spectroscopic, Computational (DFT), Quantum mechanical studies and protein-ligand interaction of Schiff base 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis …

TS Ganesan, N Elangovan, V Vanmathi… - Journal of the Indian …, 2022 - Elsevier
Abstract Infrared, 1 HNMR, 13 CNMR, and VU-Visible spectroscopy have been used to
characterize the novel 6, 6-((1, 2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) …

Experimental and DFT studies on the molecular structure, spectroscopic properties, and molecular docking of 4-phenylpiperazine-1-ium dihydrogen phosphate

O Noureddine, S Gatfaoui, SA Brandan… - Journal of Molecular …, 2020 - Elsevier
In this work, the organic material4-Phenylpiperazine-1-ium dihydrogen phosphate (4PPHP)
has been characterized by 13 C and 31 P nuclear magnetic resonance (NMR) spectra, UV …

[HTML][HTML] Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative

O Noureddine, N Issaoui, S Gatfaoui… - Journal of King Saud …, 2021 - Elsevier
This work is devoted to investigating the molecular geometry, biological activities, electronic
and vibrational characteristics of 1-phenylpiperazin-1, 4-diium nitrate monohydrate (1PPNO …

Theoretical and experimental study of guar gum sulfation

AS Kazachenko, F Akman, A Sagaama… - Journal of Molecular …, 2021 - Springer
The synthesis of guar gum sulfates by a complex of sulfur trioxide with 1, 4-dioxane was
studied. The influence of temperature, process duration, and the volume of chlorosulfonic …