Chemometrics for resolving spectral data of cephalosporines and tracing their residue in waste water samples

Yehia A.M.; Elbalkiny H.T.; Riad S.M.; Elsaharty Y.S.

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dc.contributor.author	Yehia A.M.
dc.contributor.author	Elbalkiny H.T.
dc.contributor.author	Riad S.M.
dc.contributor.author	Elsaharty Y.S.
dc.contributor.other	Analytical Chemistry Department
dc.contributor.other	Faculty of Pharmacy
dc.contributor.other	Cairo University
dc.contributor.other	Kasr-El Aini 13 Street
dc.contributor.other	Cairo
dc.contributor.other	11562
dc.contributor.other	Egypt; Chemistry Department
dc.contributor.other	School of Pharmacy and Pharmaceutical Industries
dc.contributor.other	Badr University in Cairo
dc.contributor.other	Badr City
dc.contributor.other	Cairo 11829
dc.contributor.other	Egypt; Analytical Chemistry Department
dc.contributor.other	Faculty of Pharmacy
dc.contributor.other	October University for Modern Sciences and Arts (MSA)
dc.contributor.other	6th of October City
dc.contributor.other	11787
dc.contributor.other	Egypt
dc.date.accessioned	2020-01-09T20:40:34Z
dc.date.available	2020-01-09T20:40:34Z
dc.date.issued	2019
dc.identifier.issn	13861425
dc.identifier.other	https://doi.org/10.1016/j.saa.2019.04.081
dc.identifier.other	PubMed ID 31063958
dc.identifier.uri	https://t.ly/dObOL
dc.description	Scopus
dc.description.abstract	Chemometrics approaches have been used in this work to trace cephalosporins in aquatic system. Principal component regression (PCR), partial least squares (PLS), multivariate curve resolution-alternating least squares (MCR-ALS), and artificial neural networks (ANN) were compared to resolve the severally overlapped spectrum of three selected cephalosporins; cefprozil, cefradine and cefadroxil. The analytical performance of chemometric methods was compared in terms of errors. Artificial neural networks provide good recoveries with lowest error. Satisfactory results were obtained for the proposed chemometric methods whereas ANN showed better analytical performance. The qualitative meaning in MCR-ALS transformation provided very well correlations between the pure and estimated spectra of the three components. This multivariate processing of spectrophotometric data could successfully detect the studied antibiotics in waste water samples and compared favorably to alternative costly chromatographic methods. � 2019	en_US
dc.description.uri	https://www.scimagojr.com/journalsearch.php?q=24530&tip=sid&clean=0
dc.language.iso	English	en_US
dc.publisher	Elsevier B.V.	en_US
dc.relation.ispartofseries	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
dc.relation.ispartofseries	219
dc.subject	October University for Modern Sciences and Arts
dc.subject	University for Modern Sciences and Arts
dc.subject	MSA University
dc.subject	جامعة أكتوبر للعلوم الحديثة والآداب
dc.subject	Artificial neural networks	en_US
dc.subject	Cephalosporins	en_US
dc.subject	Multivariate Curve Resolution-Alternating Least Squares	en_US
dc.subject	Water samples	en_US
dc.subject	Antibiotics	en_US
dc.subject	Chromatographic analysis	en_US
dc.subject	Chromatography	en_US
dc.subject	Least squares approximations	en_US
dc.subject	Neural networks	en_US
dc.subject	Analytical performance	en_US
dc.subject	Cephalosporins	en_US
dc.subject	Chromatographic methods	en_US
dc.subject	Multivariate curve resolution alternating least-squares	en_US
dc.subject	Overlapped spectra	en_US
dc.subject	Partial least square (PLS)	en_US
dc.subject	Principal component regression	en_US
dc.subject	Water samples	en_US
dc.subject	Data handling	en_US
dc.subject	antiinfective agent	en_US
dc.subject	cephalosporin derivative	en_US
dc.subject	artificial neural network	en_US
dc.subject	least square analysis	en_US
dc.subject	multivariate analysis	en_US
dc.subject	procedures	en_US
dc.subject	spectrophotometry	en_US
dc.subject	waste water	en_US
dc.subject	water pollutant	en_US
dc.subject	Anti-Bacterial Agents	en_US
dc.subject	Cephalosporins	en_US
dc.subject	Least-Squares Analysis	en_US
dc.subject	Multivariate Analysis	en_US
dc.subject	Neural Networks (Computer)	en_US
dc.subject	Spectrophotometry	en_US
dc.subject	Waste Water	en_US
dc.subject	Water Pollutants, Chemical	en_US
dc.title	Chemometrics for resolving spectral data of cephalosporines and tracing their residue in waste water samples	en_US
dc.type	Article	en_US
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dcterms.source	Scopus
dc.identifier.doi	https://doi.org/10.1016/j.saa.2019.04.081
dc.identifier.doi	PubMed ID 31063958
dc.Affiliation	October University for modern sciences and Arts (MSA)