Evidence map›Paper›PMID 32087671›Full record

ArticleThe Journal of chemical physics2020

2D-IR studies of cyanamides (NCN) as spectroscopic reporters of dynamics in biomolecules: Uncovering the origin of mysterious peaks.

Farzaneh Chalyavi, Olajumoke Adeyiga, Julia M Weiner, Judith N Monzy, Andrew J Schmitz, Justin K Nguyen, Edward E Fenlon, Scott H Brewer, Samuel O Odoh, Matthew J Tucker

Abstract read
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In one paragraph

Article in The Journal of chemical physics, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Extending the vibrational lifetime of azides with heavy atoms.Physical chemistry chemical physics : PCCP · 2020
    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

10 authors.

Farzaneh ChalyaviDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.ORCID 0000000169008244
Olajumoke AdeyigaDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.ORCID 0000000223598928
Julia M WeinerDepartment of Chemistry, Franklin and Marshall College, Lancaster, Pennsylvania 17604-3003, USA.
Judith N MonzyDepartment of Chemistry, Franklin and Marshall College, Lancaster, Pennsylvania 17604-3003, USA.ORCID 0000000304977866
Andrew J SchmitzDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.
Justin K NguyenDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.
Edward E FenlonDepartment of Chemistry, Franklin and Marshall College, Lancaster, Pennsylvania 17604-3003, USA.ORCID 0000000267018163
Scott H BrewerDepartment of Chemistry, Franklin and Marshall College, Lancaster, Pennsylvania 17604-3003, USA.
Samuel O OdohDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.ORCID 0000000266338229
Matthew J TuckerDepartment of Chemistry, University of Nevada Reno, Reno, Nevada 89557, USA.ORCID 0000000197244455

Funding

Use of Vibrational Reporters to Measure Dynamics and Distances in RNA and ProteinsR15GM093330 · NIGMS · FRANKLIN AND MARSHALL COLLEGE · PI BREWER, SCOTT H, FENLON, EDWARD EMMETT · 2010 to 2024
$1.3M
Developing Infrared 'FRET' Analogs to Capture Molecular Snapshots through Non-equilibrium 2D IR Spectroscopy of Recognition and Self-Assembly in Biologically Relevant SystemsR15GM124597 · NIGMS · UNIVERSITY OF NEVADA RENO · PI TUCKER, MATTHEW J · 2017 to 2018
$396k
NIGMS NIH HHS R15 GM093330NIGMS NIH HHS R15 GM124597
6 · The paper itself

Abstract

Cyanamides (NCN) have been shown to have a larger transition dipole strength than cyano-probes. In addition, they have similar structural characteristics and vibrational lifetimes to the azido-group, suggesting their utility as infrared (IR) spectroscopic reporters for structural dynamics in biomolecules. To access the efficacy of NCN as an IR probe to capture the changes in the local environment, several model systems were evaluated via 2D IR spectroscopy. Previous work by Cho [G. Lee, D. Kossowska, J. Lim, S. Kim, H. Han, K. Kwak, and M. Cho, J. Phys. Chem. B 122(14), 4035-4044 (2018)] showed that phenylalanine analogues containing NCN show strong anharmonic coupling that can complicate the interpretation of structural dynamics. However, when NCN is embedded in 5-membered ring scaffolds, as in N-cyanomaleimide and N-cyanosuccinimide, a unique band structure is observed in the 2D IR spectrum that is not predicted by simple anharmonic frequency calculations. Further investigation indicated that electron delocalization plays a role in the origins of the band structure. In particular, the origin of the lower frequency transitions is likely a result of direct interaction with the solvent.

Indexed as

Molecular Dynamics SimulationCyanamideDensity Functional TheoryMolecular StructureSpectrophotometry, InfraredCyanamide

Identifiers

PMID32087671
PMCPMC7028433

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