Evidence map›Paper›PMID 37084111›Full record

ArticleJournal of molecular modeling2023

Radial distribution and hydrogen bonded network graphs of alcohol-aniline binary mixture.

U Abdulkareem, Thejus R Kartha, V Madhurima

Abstract read
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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 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
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

2 citing papers in PubMed.

  1. Article
  2. 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

3 authors.

U AbdulkareemDepartment of Physics, School of Basic and Applied Sciences, Central University of Tamil Nadu, Thiruvarur, Tamil Nadu, 610005, India. akareem28@gmail.com.ORCID https://orcid.org/0000-0003-1753-751X
Thejus R KarthauGDX Institute of Technology, Atlas Skilltech University, Kurla West, Mumbai, 400 070, India.
V MadhurimaDepartment of Physics, School of Basic and Applied Sciences, Central University of Tamil Nadu, Thiruvarur, Tamil Nadu, 610005, India.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextHydrogen bonds play a vital role in the stability and functioning of biomolecules. Suitable binary liquids are often used as prototypes for the study of biologically significant hydrogen bond studies and their intricate networks. Often, such systems show deviations in their physico-chemical properties from ideal conditions. As a continuation of our research interest in biologically important hydrogen-bonded systems, this paper reports the classical molecular dynamic studies on mixtures of aniline with 8 primary alcohols (C

methodsInteraction energies are calculated using B3LYP/6-311G++(d, p) density functional theory using Gaussian-09. The molecular dynamics simulations are carried out using GROMACS (V 2020.6) with the OPLS/AA force field and the simulation box is visualized using VMD. The NetworkX Python package is used for GTA calculation.

Indexed as

Binary mixturesGraph theoryHydrogen bond networkHydrogen bondsMolecular dynamics simulation

Identifiers

PMID37084111

What OpenQuestion holds

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Registered trials

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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.