[HTML][HTML] Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene …

C Ngwang, F Majoumo-Mbe, EN Nfor, M Akongwi… - Chemical Physics …, 2023 - Elsevier
Abstract Co (II), Cu (II), and Ni (II) quinolyl Schiff base complexes of (E)-1-(quinolin-2-yl)-N-
(quinolin-8yl) methan-imine and (E)-2-((quinolin-8-ylimino) methyl) quinolin-8-ol that were …

[HTML][HTML] Phosphorus encapsulated gallium nitride and aluminum nitride nanotubes as nonenzymatic sensors for fructose, glucose, and xylose sugars as biomarkers …

A Imojara, JE Ishegbe, H Abdullah, HO Edet… - Chemical Physics …, 2023 - Elsevier
Excessive sugar consumption has been correlated with various adverse health outcomes,
encompassing both short-term and long-term implications for human well-being. Traditional …

Adsorption, excitation analysis, and the mechanism of tetracycline photodegradation by Ca12O12-PEDOT, Mg12O12-PEDOT, and Zn12O12-PEDOT hybrid materials …

RC Anozie, H Louis, IF Alshdoukhi, TE Gber… - Materials Chemistry and …, 2024 - Elsevier
Tetracycline (TC) residues threaten aquatic ecosystems by infiltrating water bodies and
disrupting aquatic life, potentially affecting the food chain. In our quest to address this …

Nonlinear optical and antimicrobial activity of N-acyl glycine derivatives

NEH Nourai, F Sebih, D Hadji, FZ Allal, S Dib… - Journal of Molecular …, 2024 - Elsevier
The current paper provides a theoretical and experimental coupled study of synthesized N–
octanoyl glycine and N–oleoyl glycine. The derivatives were characterized using nuclear …

Porphyrin photosensitizer molecules as effective medicine candidates for photodynamic therapy: electronic structure information aided design

WH Yin, PY Li, HH Huang, L Feng, SH Liu, X Liu… - RSC …, 2024 - pubs.rsc.org
Traditional photosensitizers (PS) in photodynamic therapy (PDT) have restricted tissue
penetrability of light and a lack of selectivity for tumor cells, which diminishes the efficiency of …

Metals (Ga, In) encapsulated aluminum nitride nanotubes (AlNNTs) as nonenzymatic sensors for biomarker volatiles of liver cirrhosis: A computational study

OC Godfrey, H Louis, AG Al-Sehemi, TE Gber… - Journal of Molecular …, 2023 - Elsevier
In the realm of scientific curiosity, the quest to develop groundbreaking biosensor
technology and materials that cater to the urgent societal demands in healthcare …

Net hydrogen bond interaction driven supramolecular deep eutectic solvent formation: the case of cyclodextrins

B Li, S Guo, Y Chen, X Li, Y Qin, Y Xu - Journal of Molecular Liquids, 2024 - Elsevier
Supramolecular deep eutectic solvents (SUPRADESs) as green designer solvents can be
applied to facilitate key steps of separation, extraction, catalysis, and drug transport …

Theoretical Investigation of Single‐Atoms Encapsulated by Fullerenes (C59X: X= As, Ga, Ge) as Biosensors For Uric Acid (UA)

RA Timothy, EED Okon, TE Gber… - …, 2023 - Wiley Online Library
This work focuses on comparative investigation of three different doped surfaces on a nano‐
cage C59As, C59Ga and C59Ge to understand their sensitivity and ability to adsorbed uric …

Molecular modeling of Si60 fullerene and Nb-doped Si60 fullerene nanomaterials for SO2, NO2 and CO2 gas sensing

EC Agwamba, MBA Eba, IF Alshdoukhi… - Materials Science and …, 2024 - Elsevier
Abstract CO 2, NO 2 and SO 2 are by-products from the petrochemical industries that have
been associated with both global warming and several respiratory dysfunctions. Hence …

Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru (POP) …

TC Jeyakumar, RA Timothy, OC Godfrey… - Inorganic Chemistry …, 2023 - Elsevier
This present work employs experimental and density functional theory (DFT) computations
methods to investigate the structural, electronic, molecular interactions, and molecular …