Evidence map›Paper›PMID 40160980›Full record

ArticleQRB discovery2025

Protein secondary structure determined from independent and integrated infra-red absorbance and circular dichroism data using the algorithm SELCON.

Søren Vrønning Hoffmann, Nykola C Jones, Alison Rodger

Abstract read
In one paragraph

Article in QRB discovery, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Induction and Stabilization of Peptide Alpha-Helices on Silica Nanoparticles.Angewandte Chemie (International ed. in English) · 2026
    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

3 authors.

Søren Vrønning HoffmannISA, Department of Physics and Astronomy, Aarhus University, Aarhus, Denmark.ORCID https://orcid.org/0000-0002-8018-5433
Nykola C JonesISA, Department of Physics and Astronomy, Aarhus University, Aarhus, Denmark.ORCID https://orcid.org/0000-0002-4081-6405
Alison RodgerResearch School of Chemistry, Australian National University, Canberra, Australia.ORCID https://orcid.org/0000-0002-7111-3024

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Protein circular dichroism (CD) and infrared absorbance (IR) spectra are widely used to estimate the secondary structure content of proteins in solution. A range of algorithms have been used for CD analysis (SELCON, CONTIN, CDsstr, SOMSpec) and some of these have been applied to IR data, though IR is more commonly analysed by bandfitting or statistical approaches. In this work we provide a Python version of SELCON3 and explore how to combine CD and IR data to best effect. We used CD data in Δε/amino acid residue and scaled the IR spectra to similar magnitudes. Normalising the IR amide I spectra scaled to a maximum absorbance of 15 gives best general performance. Combining CD and IR improves predictions for both helix and sheet by ~2% and helps identify anomalously large errors for high helix proteins such as haemoglobin when using IR data alone and high sheet proteins when using CD data alone.

Indexed as

Biophysical chemistry and spectroscopybiophysics proteinscircular and linear dichroismfunctionprotein biophysicsprotein structure

Identifiers

PMID40160980
PMCPMC11950788

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.