{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["26(11)"],"submitter":["Chong MWS"],"pubmed_abstract":["Changes in temperature can significantly affect spectroscopic-based methods for in situ monitoring of processes. As varying temperature is inherent to many processes, associated temperature effects on spectra are unavoidable, which can hinder solute concentration determination. Ultraviolet (UV) and mid-infrared (IR) data were acquired for l-ascorbic acid (LAA) in MeCN/H<sub>2</sub>O (80:20 w/w) at different concentrations and temperatures. For both techniques, global partial least squares (PLS) models for prediction of LAA concentration constructed without preprocessing of the spectra required a high number of latent variables to account for the effects of temperature on the spectra (root mean square error of cross validation (RMSECV) of 0.18 and 0.16 g/100 g solvent, for UV and IR dataset"],"journal":["Organic process research & development"],"pagination":["3096-3105"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9680019"],"repository":["biostudies-literature"],"pubmed_title":["Temperature Correction of Spectra to Improve Solute Concentration Monitoring by In Situ Ultraviolet and Mid-Infrared Spectrometries toward Isothermal Local Model Performance."],"pmcid":["PMC9680019"],"pubmed_authors":["McGlone T","Andrews J","Parrott AJ","Dunn J","Florence AJ","Briggs NEB","Chai CY","Dallin P","Chong MWS","Brown CJ","Nordon A","Perciballi F"],"additional_accession":[]},"is_claimable":false,"name":"Temperature Correction of Spectra to Improve Solute Concentration Monitoring by In Situ Ultraviolet and Mid-Infrared Spectrometries toward Isothermal Local Model Performance.","description":"Changes in temperature can significantly affect spectroscopic-based methods for in situ monitoring of processes. As varying temperature is inherent to many processes, associated temperature effects on spectra are unavoidable, which can hinder solute concentration determination. Ultraviolet (UV) and mid-infrared (IR) data were acquired for l-ascorbic acid (LAA) in MeCN/H<sub>2</sub>O (80:20 w/w) at different concentrations and temperatures. For both techniques, global partial least squares (PLS) models for prediction of LAA concentration constructed without preprocessing of the spectra required a high number of latent variables to account for the effects of temperature on the spectra (root mean square error of cross validation (RMSECV) of 0.18 and 0.16 g/100 g solvent, for UV and IR dataset","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Nov","modification":"2025-04-04T19:51:46.427Z","creation":"2025-04-04T19:51:46.427Z"},"accession":"S-EPMC9680019","cross_references":{"pubmed":["36437900"],"doi":["10.1021/acs.oprd.2c00238"]}}