An MM and QM Study of Biomimetic Catalysis of Diels-Alder Reactions Using Cyclodextrins.

Wei Chen, Lipeng Sun, Zhiye Tang, Zulfikhar A Ali, Bryan M Wong, Chia-En A Chang

Abstract read

In one paragraph

Article in Catalysts (Basel, Switzerland), 2018. 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

–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

3 citing papers in PubMed.

Electron/Hole Mobilities of Periodic DNA and Nucleobase Structures from Large-Scale DFT Calculations.The journal of physical chemistry. B · 2023
Article
Modeling the Reaction of Carboxylic Acids and Isonitriles in a Self-Assembled Capsule.Chemistry (Weinheim an der Bergstrasse, Germany) · 2020
Article
A non-precious metal hydrogen catalyst in a commercial polymer electrolyte membrane electrolyser.Nature nanotechnology · 2019
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

6 authors.

Wei ChenDepartment of Chemistry, University of California, Riverside, CA 92521, USA.

Lipeng SunIllinois Rocstar LLC, P.O. Box 3001, Champaign, IL 61826, USA.

Zhiye TangDepartment of Chemistry, University of California, Riverside, CA 92521, USA.

Zulfikhar A AliDepartment of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, CA 92521, USA.

Bryan M WongDepartment of Chemical & Environmental Engineering and Materials Science & Engineering Program, University of California, Riverside, CA 92521, USA.

Chia-En A ChangDepartment of Chemistry, University of California, Riverside, CA 92521, USA.

Funding

Next-Generation GPU Computing Resource for Simulating Ligand-Protein Binding Kinetics/MechanismR01GM109045 · NIGMS · UNIVERSITY OF CALIFORNIA RIVERSIDE · PI CHANG, CHIA-EN · 2014 to 2023

$2.8M

NIGMS NIH HHS R01 GM109045

6 · The paper itself

Abstract

We performed a computational investigation of the mechanism by which cyclodextrins (CDs) catalyze Diels-Alder reactions between 9-anthracenemethanol and

Indexed as

design and synthesisenzymeflexibilityhost-guestnonpolar pocketpreorganization

Identifiers

PMID29938117

DOI10.3390/catal8020051

PMCPMC6011829

What OpenQuestion holds

Textmetadata

LicenceCC BY

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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.