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作者:Mathias Sawall , Somaye Vali Zade , Christoph Kubis ...
来源:[J].Chemometrics and Intelligent Laboratory Systems(IF 2.291), 2020, Vol.199
摘要:Abstract(#br)Multivariate curve resolution methods suffer from the non-uniqueness of the solutions of the nonnegative matrix factorization problem. The solution ambiguity can be considerably reduced by equality constraints in the form of known spectra or concentration profiles. T...
作者:Fateme Tajabadi , Farahnaz Khalighi-Sigaroodi , Shamsali Rezazadeh
来源:[J].Chromatographia(IF 1.437), 2017, Vol.80 (7), pp.1069-1077
摘要:... In this study, gas chromatography–mass spectrometry (GC–MS) combined with iterative resolution methods was used to characterize the essential oil components of Iranian Dracocephalum moldavica L. ( D. moldavica ). Due to the medicinal importance of D. moldavica , full i...
作者:Alessandra Taris , Massimiliano Grosso , Mariarosa Brundu ...
来源:[J].Chemical Engineering Science(IF 2.386), 2020, Vol.213
摘要:... The resulting hyperspectral data were then processed by means of Multivariate Curve Resolution – Alternating Least Square (MCR-ALS) technique to estimate the evolution of the spatial profile of the surfactant concentrations over time. We show that hyperspectral imaging...
作者:Xin Zhang , Zhuoyong Zhang , Roma Tauler
来源:[J].Talanta(IF 3.498), 2019, Vol.202, pp.554-564
摘要:Abstract(#br)Multivariate Curve Resolution (MCR) methods have been widely used to resolve the spectra (instrumental responses) and concentration profiles of the unknown constituents of chemical mixtures especially when no prior information is available about the nature and compos...
作者:Henning Schröder , Mathias Sawall , Christoph Kubis ...
来源:[J].Chemometrics and Intelligent Laboratory Systems(IF 2.291), 2017, Vol.163, pp.55-63
摘要:Abstract(#br)Multivariate curve resolution (MCR) methods as MCR-ALS, ReactLab, the peak group analysis and SVD-based hard-modeling methods differ in their algorithms and the underlying optimization procedures. These differences include variants in the implementation of the algori...
作者:Bruno Debus , Vitaly Panchuk , Boris Gusev ...
来源:[J].Chemometrics and Intelligent Laboratory Systems(IF 2.291), 2020, Vol.198
摘要:... In an attempt to circumvent this issue, we studied the potential of Multivariate curve resolution (MCR) to unravel mixed multiplets spectra into their individual contributions. The application of MCR to Mӧssbauer studies was found to be quite challenging due to 1) long ac...
作者:O. Devos , H. Schröder , M. Sliwa ...
来源:[J].Analytica Chimica Acta(IF 4.387), 2018
摘要:Abstract(#br)We propose a multivariate curve resolution approach for the investigation of photochromic systems using UV-Visible spectroscopy. The incorporation of photochemical hard-models as constraints in multivariate curve resolution alternating least squares (MCR-ALS) allows ...
作者:Ahmad Mani-Varnosfaderani , Mohammad Javad Masroor , Yadollah Yamini
来源:[J].Chemometrics and Intelligent Laboratory Systems(IF 2.291), 2020
摘要:Abstract(#br)Since mass spectra are sparse in nature, the “sparsity” has been recently proposed as a constraint in multivariate curve resolution-alternating least squares (MCR-ALS) methods for analyzing LC/GC-MS data. There are different ways for implementation of sparsity ...
作者:Mahsa Akbari Lakeh , Hamid Abdollahi , Paul J. Gemperline
来源:[J].Analytica Chimica Acta(IF 4.387), 2020, Vol.1105, pp.64-73
摘要:Abstract(#br)Multivariate curve resolution (MCR) is a powerful tool in chemometrics that has been involved in the solution of many analytical problems. The introduction of partial or incomplete knowledge of reference values as known-value constraints in an MCR model can considera...

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