Synthesis, spectroscopic, and computational studies on molecular charge-transfer complex of 2-((2-hydroxybenzylidene) amino)-2-(hydroxymethyl) propane-1, 3-diol with chloranilic acid: Potential antiviral activity simulation of CT-complex against SARS-CoV-2.

Tarek E Khalil, Hemmat A Elbadawy, Asmaa A Attia, Doaa S El-Sayed

Open access · greenAbstract read

In one paragraph

Article in Journal of molecular structure, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it

0cells of the map it votes in

5citing papers in PubMed

1.0field-weighted citation impact, top 28% of its field

1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed, 24 citations in OpenAlex.

Synthesis, characterization, computational and dyeing behavior of Cu(II) and Zn(II) metal complexes derived from azo-Schiff bases containing phenol derivatives.BMC chemistry · 2025
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The Benzoxazole Heterocycle: A Comprehensive Review of the Most Recent Medicinal Chemistry Developments of Antiproliferative, Brain-Penetrant, and Anti-inflammatory Agents.Topics in current chemistry (Cham) · 2024
Review
Depicted simulation model for removal of second-generation antipsychotic drugs adsorbed on Zn-MOF: adsorption locator assessment.Journal of molecular modeling · 2024
Article
Synthesis, characterization, DNA binding interactions, DFT calculations, and Covid-19 molecular docking of novel bioactive copper(I) complexes developed via unexpected reduction of azo-hydrazo ligands.BMC chemistry · 2023
Article
Increasing the Efficacy of Seproxetine as an Antidepressant Using Charge-Transfer Complexes.Molecules (Basel, Switzerland) · 2022
Article

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors at 1 institution in 1 country.

Tarek E KhalilChemistry Department, Faculty of Science, Alexandria University, 2 Bagdad Street, P.O. Box 2-Moharrem Beck, Alexandria 21321, Egypt.

Hemmat A ElbadawyChemistry Department, Faculty of Science, Alexandria University, 2 Bagdad Street, P.O. Box 2-Moharrem Beck, Alexandria 21321, Egypt.

Asmaa A AttiaChemistry Department, Faculty of Science, Alexandria University, 2 Bagdad Street, P.O. Box 2-Moharrem Beck, Alexandria 21321, Egypt.

Doaa S El-SayedChemistry Department, Faculty of Science, Alexandria University, 2 Bagdad Street, P.O. Box 2-Moharrem Beck, Alexandria 21321, Egypt.

Alexandria University · EG

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

An innovative charge-transfer complex between the Schiff base 2-((2-hydroxybenzylidene) amino)-2-(hydroxymethyl) propane-1,3-diol [SAL-THAM] and the π-acceptor, chloranilic acid (CLA) within the mole ratio (1:1) was synthesized and characterized aiming to investigate its electronic transition spectra in acetonitrile (ACN), methanol (MeOH) and ethanol (EtOH) solutions. Applying Job`s method in the three solvents supported the 1:1 (CLA: SAL-THAM) mole ratio complex formation. The formation of stable CT- complex was shown by the highest values of charge-transfer complex formation constants, K

Indexed as

ACN, acetonitrileCharge-transfer complexChloranilicCLA, chloranilic acidCT-complex, charge transfer complexDFTDFT, density functional theoryDFT/GIAO, density functional theory/ gauge-including atomic orbitalEtOH, ethanolGC-376, 3C-like proteaseHB, hydrogen bondingHOMO, higher occupied molecular orbitalLUMO, lower unoccupied molecular orbitalMD, molecular dynamic simulationMeOH, methanolMEP, molecular electrostatic potentialMolecular dockingMpro, main proteaseNBO, natural bond orbitalNCI, non-covalent interactionNCI-RDG, non-covalent interaction-reduced density gradient analysisNRE, nuclear repulsion energyPCM, polarizable continuum modelPDB, protein data bankPLpro, paplian-like proteaseSARS-CoV-2SARS-CoV-2, severe acute respiratory syndrome corona-virus 2SpectroscopicTD-DFT, time dependent- density functional theoryVDW, van der Waals

Identifiers

PMID34866653

DOI10.1016/j.molstruc.2021.132010

PMCPMC8627645

OpenAlexW3216660405

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.