*Result*: IR Spectroscopy and Linear Support Vector Machine Analysis of Colorectal Liver Metastasis.
Title:
IR Spectroscopy and Linear Support Vector Machine Analysis of Colorectal Liver Metastasis.
Authors:
Coe JV; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Allen HC; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Skarda SA; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Orr TD; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Wilson Ii AL; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Wilson DG; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Kalliantas S; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Nystrom SV; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Bradley RC; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States.; IR Medtek LLC, 620 Taylor Station Road, Suite G, Gahanna, Ohio 43230, United States., Li R; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Chen Z; Department of Chemistry and Biochemistry, The Ohio State University, 100 West 18th Avenue, Columbus Ohio 43210-1173, United States., Hitchcock CL; Department of Pathology, The Ohio State University, 4132 Graves Hall, 333 W. 10th Avenue, Columbus, Ohio 43210, United States., Martin EW Jr; Department of Surgery, Division of Surgical Oncology, The Ohio State University, 410 W 10th Avenue, Columbus, Ohio 43210, United States.
Source:
The journal of physical chemistry. B [J Phys Chem B] 2026 Feb 12; Vol. 130 (6), pp. 1798-1809. Date of Electronic Publication: 2026 Feb 02.
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE
Imprint Name(s):
Original Publication: Washington, D.C. : American Chemical Society, c1997-
MeSH Terms:
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Int J Oncol. 2008 Mar;32(3):653-62. (PMID: 18292943)
Surg Clin North Am. 2010 Aug;90(4):643-53. (PMID: 20637938)
World J Hepatol. 2015 Feb 27;7(2):165-76. (PMID: 25729472)
Oncoimmunology. 2013 Nov 1;2(11):e26468. (PMID: 24498546)
Biomed Res Int. 2013;2013:942427. (PMID: 24000331)
Annu Rev Anal Chem (Palo Alto Calif). 2023 Jun 14;16(1):205-230. (PMID: 37068745)
Appl Spectrosc. 2012 Oct;66(10):1091-120. (PMID: 23031693)
World J Surg Oncol. 2009 Sep 29;7:72. (PMID: 19788748)
Lasers Med Sci. 2022 Dec;37(9):3753-3754. (PMID: 36167863)
Mol Cancer. 2018 Dec 28;17(1):178. (PMID: 30593276)
J Biophotonics. 2025 Nov 4;:e202500311. (PMID: 41185963)
Anal Chem. 2009 Apr 15;81(8):2823-31. (PMID: 19296690)
Nat Biotechnol. 2005 Apr;23(4):469-74. (PMID: 15793574)
Biopolymers. 2002;67(4-5):349-53. (PMID: 12012464)
Anal Chem. 2018 Aug 7;90(15):8896-8904. (PMID: 29944341)
Sci Rep. 2016 May 23;6:26286. (PMID: 27212078)
Biopolymers. 2002;67(4-5):354-7. (PMID: 12012465)
J Phys Chem B. 2013 Oct 17;117(41):12442-50. (PMID: 24053455)
Biochim Biophys Acta. 2004 Mar 2;1688(2):176-86. (PMID: 14990348)
J Phys Chem B. 2015 Oct 15;119(41):13079-92. (PMID: 26397941)
Anal Chem. 2016 Oct 18;88(20):10183-10190. (PMID: 27626947)
Trends Biotechnol. 2015 Oct;33(10):557-558. (PMID: 26409774)
PLoS One. 2015 Jul 15;10(7):e0128975. (PMID: 26176839)
Analyst. 2015 Aug 7;140(15):4997-5002. (PMID: 26051164)
Trends Biotechnol. 2010 Jun;28(6):317-23. (PMID: 20452071)
Nat Protoc. 2014 Aug;9(8):1771-91. (PMID: 24992094)
Anal Bioanal Chem. 2007 Oct;389(4):1155-69. (PMID: 17786414)
Yale J Biol Med. 2015 Jun 01;88(2):131-43. (PMID: 26029012)
Analyst. 2014 Aug 21;139(16):3856-9. (PMID: 24965124)
Compr Physiol. 2013 Jan;3(1):485-513. (PMID: 23720294)
J Biomed Opt. 2005 Mar-Apr;10(2):024034. (PMID: 15910107)
Analyst. 2019 Apr 8;144(8):2635-2642. (PMID: 30839958)
Anal Chem. 2015 Jan 6;87(1):485-93. (PMID: 25474546)
Analyst. 2017 Apr 10;142(8):1179-1184. (PMID: 27858020)
Analyst. 2013 Jul 21;138(14):3983-90. (PMID: 23563220)
Molecules. 2021 Mar 06;26(5):. (PMID: 33800959)
Proc Natl Acad Sci U S A. 2018 Jun 19;115(25):E5651-E5660. (PMID: 29866827)
Science. 1994 Apr 22;264(5158):553-6. (PMID: 17732739)
IEEE Trans Med Imaging. 2016 Feb;35(2):404-15. (PMID: 26353368)
Cell Mol Biol (Noisy-le-grand). 1998 Feb;44(1):219-29. (PMID: 9551653)
PLoS One. 2009 Oct 12;4(10):e7408. (PMID: 19823674)
IEEE Trans Med Imaging. 2016 Sep;35(9):2141-2150. (PMID: 27076354)
Grant Information:
R21 CA167403 United States CA NCI NIH HHS
Entry Date(s):
Date Created: 20260202 Date Completed: 20260212 Latest Revision: 20260219
Update Code:
20260219
PubMed Central ID:
PMC12908113
DOI:
10.1021/acs.jpcb.5c07859
PMID:
41627400
Database:
MEDLINE
*Further Information*
*The Colorectal Liver Metastasis (CLM) library contains 756,096 full range Fourier transform infrared (FTIR) microscope imaging spectra of 14 frozen tissue sections from 7 different consenting patients with liver metastasis of colorectal origin. A subset of 30 windows was defined in predominant tumor or nontumor regions for the training or testing of linear support vector machine (SVM) models. Since the number of consenting patients was small, the primary purpose of this work was to establish a physical chemistry perspective on the infrared (IR) spectroscopy of metastatic liver cancer using the large number of available spectra. The linear SVM model was trained with a Leave-One-Case-Out strategy to avoid case leakage, minimize overtraining, and offer simple feature selection. The primary result is the derivation and measurement of a spectral form for the average contribution to the tumor/nontumor decision at each spectral step, i.e., the "Decision Contribution Spectrum". Finally, the results are used toward the design of a fast mid-IR cancer probe for the operating room giving quick tumor decisions despite a reduced range of wavenumbers and an increased interval between wavenumber steps as compared to the FTIR input spectral data.*