Evidence map›Paper›PMID 38519477›Full record

ArticleNature communications2024

Forward-predictive SERS-based chemical taxonomy for untargeted structural elucidation of epimeric cerebrosides.

Emily Xi Tan, Shi Xuan Leong, Wei An Liew, In Yee Phang, Jie Ying Ng, Nguan Soon Tan, Yie Hou Lee, Xing Yi Ling

Abstract read
In one paragraph

Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.

0numbers the graph read from it
0cells of the map it votes in
13citing 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

13 citing papers in PubMed.

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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

8 authors.

Emily Xi TanSchool of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Nanyang, 637371, Singapore.ORCID http://orcid.org/0000-0001-5643-974X
Shi Xuan LeongSchool of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Nanyang, 637371, Singapore.
Wei An LiewSchool of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Nanyang, 637371, Singapore.
In Yee PhangSchool of Chemical and Material Engineering, Jiangnan University, Wuxi, 214122, People's Republic of China.
Jie Ying NgKK Research Centre, KKH, 100 Bukit Timah Road, Singapore, 229899, Singapore.ORCID http://orcid.org/0000-0001-5300-7896
Nguan Soon TanLee Kong Chian School of Medicine, Nanyang Technological University, 59 Nanyang Drive, Singapore, 636921, Singapore.ORCID http://orcid.org/0000-0003-0136-7341
Yie Hou LeeKK Research Centre, KKH, 100 Bukit Timah Road, Singapore, 229899, Singapore. yiehou.lee@smart.mit.edu.ORCID http://orcid.org/0000-0003-2723-2023
Xing Yi LingSchool of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Nanyang, 637371, Singapore. xyling@ntu.edu.sg.ORCID http://orcid.org/0000-0001-5495-6428

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Achieving untargeted chemical identification, isomeric differentiation, and quantification is critical to most scientific and technological problems but remains challenging. Here, we demonstrate an integrated SERS-based chemical taxonomy machine learning framework for untargeted structural elucidation of 11 epimeric cerebrosides, attaining >90% accuracy and robust single epimer and multiplex quantification with <10% errors. First, we utilize 4-mercaptophenylboronic acid to selectively capture the epimers at molecular sites of isomerism to form epimer-specific SERS fingerprints. Corroborating with in-silico experiments, we establish five spectral features, each corresponding to a structural characteristic: (1) presence/absence of epimers, (2) monosaccharide/cerebroside, (3) saturated/unsaturated cerebroside, (4) glucosyl/galactosyl, and (5) GlcCer or GalCer's carbon chain lengths. Leveraging these insights, we create a fully generalizable framework to identify and quantify cerebrosides at concentrations between 10

Indexed as

CerebrosidesGlucosylceramidesChemical PhenomenaGalactosylceramidesMonosaccharidesCerebrosidesGalactosylceramidesGlucosylceramidesMonosaccharides

Identifiers

PMID38519477
PMCPMC10960001

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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.