Evidence map›Paper›PMID 37843722›Full record

ArticlePhotochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology2023

Application of molecular dynamic simulations in modeling the excited state behavior of confined molecules.

Dipendra Khadka, Vindi M Jayasinghe-Arachchige, Rajeev Prabhakar, Vaidhyanathan Ramamurthy

Abstract read
PubMed Publisher
In one paragraph

Article in Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.4field-weighted citation impact, top 27% 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

1 citing paper in PubMed, 1 citations in OpenAlex.

  1. 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

4 authors at 1 institution in 1 country.

Dipendra KhadkaDepartment of Chemistry, University of Miami, Coral Gables, FL, 33124, USA.
Vindi M Jayasinghe-ArachchigeDepartment of Chemistry, University of Miami, Coral Gables, FL, 33124, USA.
Rajeev PrabhakarDepartment of Chemistry, University of Miami, Coral Gables, FL, 33124, USA. rpr@miami.edu.ORCID http://orcid.org/0000-0003-1137-1272
Vaidhyanathan RamamurthyDepartment of Chemistry, University of Miami, Coral Gables, FL, 33124, USA. murthy1@miami.edu.ORCID http://orcid.org/0000-0002-3168-2185
University of Miami · US

Funding

Directorate for Mathematical and Physical Sciences CHE- 2102563Directorate for Mathematical and Physical Sciences CHE- 2204046
6 · The paper itself

Abstract

Relative to isotropic organic solvent medium, the structure and conformation of a reactant molecule in an organized and confining medium are often different. In addition, because of the rigidity of the immediate environment, the reacting molecule have a little freedom to undergo large changes even upon gaining energy or modifications in the electronic structure. These alterations give rise to differences in the photochemistry of a molecular and supramolecular species. In this study, one such example is presented. α-Alkyl dibenzylketones upon excitation in isotropic solvents give products via Norrish type I and type II reactions that are independent of the chain length of the alkyl substituent. On the other hand, when these molecules are enclosed within an organic capsule of volume ~ 550 Å

Indexed as

ConfinementMolecular dynamics simulationNorrish type I and type II reactionSupramolecular photochemistryα-alkyl dibenzylketones

Identifiers

PMID37843722
OpenAlexW4387660998

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.