(Q42217176)

18 October 2017

A solvatochromic model calibrates nitriles' vibrational frequencies to electrostatic fields (English)

1 reference

18 October 2017

1 reference

3

Steven G Boxer

1 reference

18 October 2017

Sayan Bagchi

1

1 reference

18 October 2017

Stephen D Fried

series ordinal

2

1 reference

18 October 2017

language of work or name

English

0 references

publication date

15 June 2012

1 reference

Journal of the American Chemical Society

18 October 2017

4

1 reference

based on heuristic

inferred from page(s)

published in

1 reference

18 October 2017

134

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18 October 2017

25

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18 October 2017

10373-10376

1 reference

Solvent-induced infrared frequency shifts in aromatic nitriles are quantitatively described by the vibrational Stark effect

18 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Ribonuclease S dynamics measured using a nitrile label with 2D IR vibrational echo spectroscopy

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Nitrile Bonds as Infrared Probes of Electrostatics in Ribonuclease S

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Azidohomoalanine: a conformationally sensitive IR probe of protein folding, protein structure, and electrostatics

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Nitrile groups as vibrational probes: calculations of the CN infrared absorption line shape of acetonitrile in water and tetrahydrofuran.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Two-dimensional infrared spectra reveal relaxation of the nonnucleoside inhibitor TMC278 complexed with HIV-1 reverse transcriptase

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Electric fields at the active site of an enzyme: direct comparison of experiment with theory.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Myoglobin-CO Substate Structures and Dynamics: Multidimensional Vibrational Echoes and Molecular Dynamics Simulations

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Addition of the keto functional group to the genetic code of Escherichia coli.

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Decomposition of vibrational shifts of nitriles into electrostatic and hydrogen-bonding effects

26 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Site-specific conversion of cysteine thiols into thiocyanate creates an IR probe for electric fields in proteins

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Probing hydrogen bonding environments: solvatochromic effects on the CN vibration of benzonitrile

29 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Nitrile and thiocyanate IR probes: quantum chemistry calculation studies and multivariate least-square fitting analysis.

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Electrostatic fields near the active site of human aldose reductase: 1. New inhibitors and vibrational stark effect measurements

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Vibrational Stark effects calibrate the sensitivity of vibrational probes for electric fields in proteins

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Using nitrile-derivatized amino acids as infrared probes of local environment

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

The CN Stretching Band of Aliphatic Thiocyanate is Sensitive to Solvent Dynamics and Specific Solvation

17 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3384762

Vibrational solvatochromism and electrochromism of infrared probe molecules containing C≡O, C≡N, C=O, or C-F vibrational chromophore

1 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22694663

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Vibrational Stark Effects on Carbonyl, Nitrile, and Nitrosyl Compounds Including Heme Ligands, CO, CN, and NO, Studied with Density Functional Theory

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22694663

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JA303895K

1 reference

18 October 2017

1 reference

18 October 2017

PubMed publication ID

22694663

1 reference