Evidence map›Paper›PMID 38668860›Full record

ArticleJournal of molecular modeling2024

Exploring nonlinear optical properties in a hybrid dihydrogen phosphate system: an experimental and theoretical approach.

Abdellatif Rafik, Fatima Lakhdar, Hafid Zouihri, Taoufiq Guedira, Nivedita Acharjee, Mohammad Shahidul Islam, Mohammed Salah, Abdellah Zeroual

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Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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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

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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

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0 citing papers in PubMed.

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4 · The record

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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

8 authors.

Abdellatif RafikLaboratory of Organic Chemistry, Catalysis and Environment Laboratory, Faculty of Science, Ibn Tofail University, Kenitra City, Morocco.
Fatima LakhdarLaboratory of Marine Biotechnology and Environment-CNRST Labeled Research Unit, Faculty of Sciences, Chouaib Doukkali University, BP 20, 24000, El Jadida, Morocco.
Hafid ZouihriLaboratory of Materials Chemistry and Biotechnology of Natural Products, Moulay Ismail University of Meknes, Faculty of Sciences, Meknes, Morocco.
Taoufiq GuediraLaboratory of Organic Chemistry, Catalysis and Environment Laboratory, Faculty of Science, Ibn Tofail University, Kenitra City, Morocco.
Nivedita AcharjeeDepartment of Chemistry, Durgapur Government College, Durgapur, West Bengal, India.
Mohammad Shahidul IslamDepartment of Chemistry, College of Science, King Saud University, Riyadh, Saudi Arabia.
Mohammed SalahMolecular Modeling and Spectroscopy Research Team, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, El Jadida, Morocco. salah.m@ucd.ac.ma.
Abdellah ZeroualMolecular Modeling and Spectroscopy Research Team, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, El Jadida, Morocco.

Funding

Authors are grateful to the Researchers Supporting Project Number (RSPD2024R1100), King Saud University, Riyadh, Saudi Arabia. RSPD2024R1100
6 · The paper itself

Abstract

contextThe controlled slow evaporation process conducted at room temperature has produced a novel hybrid material denoted as (2-hydroxyethyl) trimethylammonium dihydrogen phosphate [2-HDETDHP] (C

methodsHirshfeld surfaces are employed to investigate intermolecular hydrogen bonding, specifically within single phosphate groups. The molecular structure of 2-HDETDHP was refined using single-crystal X-ray analysis, while its optical characteristics were examined through UV-visible spectroscopy. FT-IR spectroscopy is employed for the assignment of molecular vibrations of functional groups in the affined structure. Quantum calculations were executed with the GAUSSIAN 09 software package at B3LYP/6-311G level of theory, to optimize the molecular geometries. The antimicrobial efficacy of a synthesized product was evaluated using the disc diffusion method against antibiotic-resistant Candida albicans, Candida tropicalis, Aspergillus niger, Staphylococcus aureus, and Escherichia coli. Microorganisms were cultured on nutrient agar, and inhibition zones were measured after incubation, with streptomycin and amphotericin as positive controls.

Indexed as

PhosphatesAnti-Bacterial AgentsAnti-Infective AgentsCandida albicansCrystallography, X-RayHydrogen BondingMicrobial Sensitivity TestsModels, MolecularSpectroscopy, Fourier Transform InfraredAnti-Bacterial AgentsAnti-Infective AgentsPhosphatesDFTFT-IR spectroscopyHirshfeld surfaceNLO materialX-ray crystallography

Identifiers

PMID38668860

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