Evidence map›Paper›PMID 30678032›Full record

ArticleMolecules (Basel, Switzerland)2019

pKa Determination of a Histidine Residue in a Short Peptide Using Raman Spectroscopy.

Brett H Pogostin, Anders Malmendal, Casey H Londergan, Karin S Åkerfeldt

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 25 papers.

0numbers the graph read from it
0cells of the map it votes in
25citing papers in PubMed
1.5field-weighted citation impact, top 18% 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

25 citing papers in PubMed, 50 citations in OpenAlex.

  1. Article
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  4. The journal of physical chemistry. B · 2025
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  15. Characterization of Uranyl (UOACS chemical neuroscience · 2023
    Article
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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 2 institutions in 2 countries.

Brett H PogostinDepartment of Chemistry, Haverford College, Haverford, PA 19041, USA. bpogostin@gmail.com.
Anders MalmendalBiochemistry and Structural Biology, Department of Chemistry, Lund University, PO Box 124, SE-221 00 Lund, Sweden. malmendal@gmail.com.
Casey H LonderganDepartment of Chemistry, Haverford College, Haverford, PA 19041, USA. clonderg@haverford.edu.
Karin S ÅkerfeldtDepartment of Chemistry, Haverford College, Haverford, PA 19041, USA. kakerfel@haverford.edu.
Haverford College · USLund University · SE

Funding

Camille and Henry Dreyfus Foundation Henry Dreyfus Teacher-Scholar AwardNational Science Foundation CHE-1150727National Science Foundation CHE-1609291National Science Foundation CHE-1800080
6 · The paper itself

Abstract

Determining the pKa of key functional groups is critical to understanding the pH-dependent behavior of biological proteins and peptide-based biomaterials. Traditionally, ¹H NMR spectroscopy has been used to determine the pKa of amino acids; however, for larger molecules and aggregating systems, this method can be practically impossible. Previous studies concluded that the C-D stretches in Raman are a useful alternative for determining the pKa of histidine residues. In this study, we report on the Raman application of the C2-D probe on histidine's imidazole side chain to determining the pKa of histidine in a short peptide sequence. The pKa of the tripeptide was found via difference Raman spectroscopy to be 6.82, and this value was independently confirmed via ¹H NMR spectroscopy on the same peptide. The C2-D probe was also compared to other Raman reporters of the protonation state of histidine and was determined to be more sensitive and reliable than other protonation-dependent signals. The C2-D Raman probe expands the tool box available to chemists interested in directly interrogating the pKa's of histidine-containing peptide and protein systems.

Indexed as

Amino Acid SequenceHistidineHydrogen-Ion ConcentrationImidazolesMagnetic Resonance SpectroscopyPeptidesProteinsSpectrum Analysis, RamanHistidineimidazoleImidazolesPeptidesProteins1H NMR spectroscopyacid dissociation constantdeuterium replacementhistidineisotopic labelingpeptidesproteinsRaman spectroscopyvibrational probes

Identifiers

PMID30678032
PMCPMC6385126
OpenAlexW2913284322

What OpenQuestion holds

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LicenceCC BY
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.