Evidence map›Paper›PMID 37535185›Full record

ArticleJournal of molecular modeling2023

TD-DFT, DFT, docking, MD simulations, and concentration-dependent SERS investigations of a bioactive trifluoromethyl derivative having human acetylcholinesterase and butyrylcholinesterase in silver colloids.

Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, Martin Krátký, Jarmila Vinsova, Tariq Mahmood, Maria Cristina Gamberini, Deepthi S Rajendran Nair

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In one paragraph

Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
1.7field-weighted citation impact, top 16% 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

3 citing papers in PubMed, 11 citations in OpenAlex.

  1. Review
  2. Article
  3. Review
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

8 authors at 6 institutions in 6 countries.

Jamelah S Al-OtaibiDepartment of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh, 11671, Saudi Arabia.
Y Sheena MaryDepartment of Physics, FMNC, University of Kerala, Kollam, Kerala, India. marysheena2018@rediffmail.com.
Y Shyma MaryThushara, Neethinagar, Kollam, Kerala, India.
Martin KrátkýDepartment of Organic and Bioorganic Chemistry, Faculty of Pharmacy in Hradec Králové, Charles University, Akademika Heyrovského 1203, 500 05, Hradec Králové, Czech Republic.
Jarmila VinsovaDepartment of Organic and Bioorganic Chemistry, Faculty of Pharmacy in Hradec Králové, Charles University, Akademika Heyrovského 1203, 500 05, Hradec Králové, Czech Republic.
Tariq MahmoodDepartment of Chemistry, College of Science, University of Bahrain, Manama, Bahrain.
Maria Cristina GamberiniDepartment of Life Sciences, University of Modena and Reggio Emilia, via G. Campi 103, 41125, Modena, Italy.
Deepthi S Rajendran NairDepartment of Ophthalmology, Keck School of Medicine, University of Southern California, Los Angeles, CA, 90033, USA.
University of Hradec Králové · CZPrincess Nourah bint Abdulrahman University · SAUniversity of Bahrain · BHUniversity of Kerala · INUniversity of Modena and Reggio Emilia · ITUniversity of Southern California · US

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextVarious concentrations of (E)-4-methoxy-N'-(2-(trifluoromethyl)benzylidene) benzohydrazide (EMT) adsorbed on colloidal silver nanoparticles were studied using SERS and results were compared to the normal Raman spectrum. DFT calculations were used to validate experimental findings. Theoretically, the structures of the EMT and EMT-Ag

methodsDFT was used to optimize the molecular structures of EMT and EMT-Ag

Indexed as

ButyrylcholinesteraseMetal NanoparticlesAcetylcholinesteraseDensity Functional TheoryHumansSilverSpectrum Analysis, RamanAcetylcholinesteraseButyrylcholinesterasecolloidal silverSilverAdsorptionBenzyohydrazide: Silver clusterDFTSERS

Identifiers

PMID37535185
OpenAlexW4385514350

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

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.