Evidence map›Paper›PMID 36508277›Full record

ArticleThe journal of physical chemistry. B2022

Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm

Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht-Schönzart

Open access · greenAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry. B, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
0.4field-weighted citation impact, top 47% 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

0 citing papers in PubMed, 5 citations in OpenAlex.

No citing paper in PubMed yet.

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

7 authors at 3 institutions in 1 country.

Hesam ArabzadehDepartment of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida32306, United States.ORCID 0000-0002-3198-5733
Brandon WalkerDepartment of Biomedical Engineering, University of Texas at Austin, Austin, Texas78712, United States.
Joseph M SperlingDepartment of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida32306, United States.ORCID 0000-0003-1916-5633
Orlando AcevedoDepartment of Chemistry, University of Miami, Coral Gables, Florida33146, United States.ORCID 0000-0002-6110-3930
Pengyu RenDepartment of Biomedical Engineering, University of Texas at Austin, Austin, Texas78712, United States.ORCID 0000-0002-5613-1910
Wei YangDepartment of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida32306, United States.ORCID 0000-0002-4520-3253
Thomas E Albrecht-SchönzartDepartment of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida32306, United States.ORCID 0000-0002-2989-3311
Florida State University · USThe University of Texas at Austin · USUniversity of Miami · US

Funding

DEVELOPMENT OF A NEXT-GENERATION NUCLEIC ACID FORCE FIELDR01GM106137 · NIGMS · WASHINGTON UNIVERSITY · PI JAY PONDER, Pengyu Ren · 2013 to 2026
$3.5M
Role of Arsenic Trioxide in Primary Effusion LymphomaR01CA124621 · NCI · UNIVERSITY OF SOUTHERN CALIFORNIA · PI CHAUDHARY, PREET M. · 2007 to 2011
$1.4M
Free Energy Sampling of Long-Timescale Biomolecular DynamicsR01GM124621 · NIGMS · FLORIDA STATE UNIVERSITY · PI YANG, WEI · 2020 to 2023
$1.4M
NCI NIH HHS R01 CA124621NIGMS NIH HHS R01 GM106137NIGMS NIH HHS R01 GM124621
6 · The paper itself

Abstract

With the continual development of lanthanides (Ln) in current technological devices, an efficient separation process is needed that can recover greater amounts of these rare elements. Dicyclohexano-18-crown-6 (DCH18C6) is a crown ether that may be a promising candidate for Ln separation, but additional research is required. As such, molecular dynamics (MD) simulations have been performed on four divalent lanthanide halide salts (Sm

Indexed as

AmoebaCrown EthersLanthanoid Series ElementsAcetonitrilesCationsMolecular Dynamics SimulationSaltsAcetonitrilesCationsCrown Ethersdicyclohexyl-18-crown-6Lanthanoid Series ElementsSalts

Identifiers

PMID36508277
PMCPMC9999210
OpenAlexW4312115258

What OpenQuestion holds

Textmetadata
LicenceTDM
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.