Evidence map›Paper›PMID 38113410›Full record

ArticleThe journal of physical chemistry. B2024

Simulating the Fluorescence of Di-8-ANEPPS in Solvents of Different Polarity.

Rachael Youngworth, Benoît Roux

Open access · greenAbstract read
In one paragraph

Article in The journal of physical chemistry. B, 2024. 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
2.8field-weighted citation impact, top 10% 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

2 citing papers in PubMed, 7 citations in OpenAlex.

  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

2 authors at 1 institution in 1 country.

Rachael YoungworthDepartment of Chemistry, The University of Chicago, 5735 S Ellis Avenue, Chicago, Illinois 60637, United States.
Benoît RouxDepartment of Biochemistry and Molecular Biology, The University of Chicago, 929 57th Street, Chicago, Illinois 60637, United States.ORCID 0000-0002-5254-2712
University of Chicago · US

Funding

Polarizable Force Field for Proteins and LipidsR01GM072558 · NIGMS · WEILL MEDICAL COLLEGE OF CORNELL UNIV · PI ROUX, BENOIT · 2005 to 2023
$5.1M
Molecular dynamics studies of K+ and Na+ channels and biomembranes based on a polarizable force fieldR35GM152124 · NIGMS · UNIVERSITY OF CHICAGO · PI BENOIT ROUX · 2024 to 2026
$2.2M
HIGH PERFORMANCE COMPUTER SYSTEM FOR MOLECULAR MODELING: STRUCTURAL BIOLOGYS10RR019216 · NCRR · WEILL MEDICAL COLLEGE OF CORNELL UNIV · PI ROUX, BENOIT · 2004 to 2004
$496k
NCRR NIH HHS S10 RR019216NIGMS NIH HHS R01 GM072558NIGMS NIH HHS R35 GM152124
6 · The paper itself

Abstract

Voltage-sensitive fluorescent probes, such as di-8-amino-naphthyl-ethylene-pyridinium-propyl-sulfonate (di-8-ANEPPS), are extremely useful for monitoring the membrane potential in biological and biophysical studies. However, because di-8-ANEPPS is very sensitive to its environment, it can be difficult to distinguish the degree to which a given external factor affects the observed fluorescence. Molecular dynamics simulations based on detailed atomic models make it possible to examine the particular characteristics of the system and predict the effects of the surroundings. Here, the sensitivity of the spectra of di-8-ANEPPS to solvent polarity is investigated by modeling the electronic transition between the ground and excited states using classical molecular mechanical force fields. The absorption and emission of di-8-ANEPPS were simulated in 12 solvents of increasing polarity using nonpolarizable and polarizable force fields. While the computational results and experimental data do not match perfectly, classical Lippert plots of both models show the expected increase of the Stokes shift of di-8-ANEPPS with the orientation polarizability of the surrounding solvent.

Identifiers

PMID38113410
PMCPMC11384272
OpenAlexW4389942725

What OpenQuestion holds

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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.