Machine learning for identifying liver and pancreas cancers through comprehensive serum glycopeptide spectra analysis: a case-control study.
Sign Up to like & getrecommendations! Published in 2025 at "Molecular oncology"
DOI: 10.1002/1878-0261.70084
Abstract: Liver and pancreatic cancers are difficult to detect early, leading to high mortality rates. Blood‐based diagnostics present a viable alternative for earlier detection, potentially improving survival rates. The comprehensive serum glycopeptide spectra analysis (CSGSA) method… read more here.
Keywords: serum glycopeptide; spectra analysis; machine; machine learning ... See more keywords
Teaching NMR spectra analysis with nmr.cheminfo.org
Sign Up to like & getrecommendations! Published in 2018 at "Magnetic Resonance in Chemistry"
DOI: 10.1002/mrc.4733
Abstract: Teaching spectra analysis and structure elucidation requires students to get trained on real problems. This involves solving exercises of increasing complexity and when necessary using computational tools. Although desktop software packages exist for this purpose,… read more here.
Keywords: cheminfo org; nmr cheminfo; teaching nmr; spectra analysis ... See more keywords
Vibrational spectra analysis of amorphous lactose in structural transformation: Water/temperature plasticization, crystal formation, and molecular mobility.
Sign Up to like & getrecommendations! Published in 2020 at "Food chemistry"
DOI: 10.1016/j.foodchem.2020.128215
Abstract: Lactose is a common component found in many foods and dairy products. In this study, the vibrational signatures in the crystalline structure of α-, β-, and α-lactose monohydrate were calculated based on quantum chemistry calculation… read more here.
Keywords: vibrational spectra; temperature; water; chemistry ... See more keywords
Explanation and prediction for the selective crystallization of boscalid by mid-frequency Raman difference spectra analysis
Sign Up to like & getrecommendations! Published in 2023 at "CrystEngComm"
DOI: 10.1039/d2ce01679f
Abstract: The selective crystallization behaviours of amorphous boscalid (BOS), BOS monohydrate and acetone/ethyl acetate/ethanol/methanol solutions are explained and predicted by mid-frequency Raman difference spectra analysis. The phase transition processes including solutions... read more here.
Keywords: spectra analysis; mid frequency; raman difference; frequency raman ... See more keywords