Pristine and Si-doped fullerene-C24 as a novel nanosorbent for the adsorption and removal of primidone from wastewater: A DFT study DOI
Ahmad J. Obaidullah, Adel Alhowyan, Wael A. Mahdi

и другие.

Diamond and Related Materials, Год журнала: 2024, Номер unknown, С. 111915 - 111915

Опубликована: Дек. 1, 2024

Язык: Английский

8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: Supramolecular R44(8)/R22(16) Synthons, DFT Rationalization, and Biological Insights DOI Creative Commons
Suman Hazra, Dhrubajyoti Majumdar,

Jessica Elizabeth Philip

и другие.

ACS Omega, Год журнала: 2025, Номер unknown

Опубликована: Апрель 7, 2025

Язык: Английский

Процитировано

0
Design of C24 fullerene-based sensors for gamma-butyrolactone detection as advanced tools for biomedical and pharmaceutical applications DOI Creative Commons
Bader Huwaimel,

Saad Alqarni

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Апрель 21, 2025

The detection of gamma-butyrolactone (GBL) is crucial in medicinal chemistry due to its role as a precursor gamma-hydroxybutyrate (GHB) and potential for misuse. This study presents sensor GBL based on fullerene C24 beryllium-, calcium-, magnesium-doped derivatives. Using density functional theory (DFT) time-dependent DFT (TD-DFT), we optimized the structures analyzed their electronic, optical, quantum properties. Key parameters such energy gaps, chemical reactivity, dipole moments, adsorption energies were evaluated. Among studied systems, (MgC23) exhibited highest pronounced red shift UV absorption upon complexation, an optimal balance recovery time. These results highlight MgC23 promising candidate sensitive efficient pharmaceutical forensic applications.

Язык: Английский

Процитировано

0
Computational insight into the Fe(II) chelation of Hibiscetin for the enhanced antioxidant activity DOI

C. Ragi,

K. Muraleedharan

Structural Chemistry, Год журнала: 2024, Номер 35(5), С. 1563 - 1575

Опубликована: Март 2, 2024

Язык: Английский

Процитировано

2
Green synthesis and characterization of trisubstituted imidazole derivatives by an ecofriendly and efficient heterogenous nanocatalyst based on magnetite nanoparticles coated modified nanocellulose DOI

Sarah Ben Haj Fraj,

Soumaya Agren, Jamal El Haskouri

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140137 - 140137

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

1
Synthesis, characterization, X-ray structure, and DFT calculations of Zn complex encompassing HLN2O ligand: Relevance in cytotoxicity and antifungal photodynamic therapy. DOI
Suman Hazra, Dhrubajyoti Majumdar,

Jessica Elizabeth Philip

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140910 - 140910

Опубликована: Ноя. 1, 2024

Язык: Английский

Процитировано

1
Understanding The Silent Threat: Lead Exposure in Children and its Detection Using Colorimetric and Fluorimetric Methods DOI
Mohammed Alissa, Awaji Y. Safhi, Meshari A. Alsuwat

и другие.

Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(5), С. 113973 - 113973

Опубликована: Авг. 28, 2024

Язык: Английский

Процитировано

0
Exploration of the reform path of vocational education and teaching under the background of artificial intelligence DOI
Lili Pan

AIP conference proceedings, Год журнала: 2024, Номер 3131, С. 020026 - 020026

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

0
Covid-19 Detection Via Isobutyric Acid Biomarker: A Dft Computational Study on Beryllium-Doped C60 Fullerene DOI
Stève–Jonathan Koyambo-Konzapa

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

0
Fluorenone Based Schiff Base Ligand as a Highly Selective “Turn-Off” Sensor for Cu2+ Ions in Aqueous Solution and in Living Cells DOI
Pranjit Barman,

Pankaj Haloi,

R.K. Mandal

и другие.

Опубликована: Янв. 1, 2024

Язык: Английский

Процитировано

0
Pristine and Si-doped fullerene-C24 as a novel nanosorbent for the adsorption and removal of primidone from wastewater: A DFT study DOI
Ahmad J. Obaidullah, Adel Alhowyan, Wael A. Mahdi

и другие.

Diamond and Related Materials, Год журнала: 2024, Номер unknown, С. 111915 - 111915

Опубликована: Дек. 1, 2024

Язык: Английский

Процитировано

0