Two-Way Data Analysis: Evolving Factor Analysis

Maeder, Marcel; Juan, Anna de

doi:10.1016/b978-044452701-1.00047-8

Cited by 17 publications

(8 citation statements)

References 9 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…one needs to provide it with the initial guess of contributions of different components underlying the investigated system. EFA method can be readily used to accomplish the latter, the results of which serve as a starting point of MCR-ALS analysis [34]. In the following short preliminary preparation of the obtained data/spectra will be presented, and basis of EFA and MCR-ALS analysis will be explained.…”

Section: Ft-ir Spectra Analysismentioning

confidence: 99%

“…Upon finding the initial number of components via SVD analysis, the constructed data matrix can be analyzed employing EFA [34,37]. This method can be thought of as a "propagating" singular value decomposition of a matrix Di (with i=1, 2, ..., 5), applied to submatrices of Di built up by adding the rows of Di successively.…”

Section: Ft-ir Spectra Analysismentioning

confidence: 99%

“…Contrary to the discussed results, which were usually oriented on the analysis of particular vibrational signature at a single point, methods based on a simultaneous analysis of a dataset that encompasses spectral range(s) with the purpose of determining phase transition temperature can be applied as well. For instance, multivariate curve resolution with alternating least squares (MCR-ALS) and evolving factor analysis (EFA) [32][33][34] was already applied in the determination of Tm and Tp of DPPC liposomes [35]. This study revealed that the main transition is associated with the changes in vibrational signatures of methylene groups, whereas structural rearrangement of polar groups was found to be intimately related with the pretransition.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Application of MCR-ALS with EFA on FT-IR spectra of lipid bilayers in the assessment of phase transition temperatures: Potential for discernment of coupled events

Maleš

Brkljača

Crnolatac

et al. 2021

Colloids and Surfaces B: Biointerfaces

View full text Add to dashboard Cite

Section: Ft-ir Spectra Analysismentioning

confidence: 99%

Section: Ft-ir Spectra Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Application of MCR-ALS with EFA on FT-IR spectra of lipid bilayers in the assessment of phase transition temperatures: Potential for discernment of coupled events

Maleš

Brkljača

Crnolatac

et al. 2021

Colloids and Surfaces B: Biointerfaces

View full text Add to dashboard Cite

“…al using multiple PCA models for local model building at each observation point [23] and using moving window [24]. In this work, chemometric tools typically used to perform local exploratory analysis of the evolution of processes, such as evolving factor analysis (EFA) or fixed size moving window -EFA (FSMW-EFA) [25,26], have been adopted to propose new on-line batch MSPC strategies. The performance of these on-line MSPC approaches has been studied in terms of sensitivity to fault detection and number of false alarms.…”

Section: Introductionmentioning

confidence: 99%

Process modeling and control applied to real-time monitoring of distillation processes by near-infrared spectroscopy

Oliveira

Pedroza

Sousa

et al. 2017

Analytica Chimica Acta

View full text Add to dashboard Cite

A distillation device that acquires continuous and synchronized measurements of temperature, percentage of distilled fraction and NIR spectra has been designed for real-time monitoring of distillation processes. As a process model, synthetic commercial gasoline batches produced in Brazil, which contain mixtures of pure gasoline blended with ethanol have been analyzed. The information provided by this device, i.e., distillation curves and NIR spectra, has served as initial information for the proposal of new strategies of process modeling and multivariate statistical process control (MSPC). Process modeling based on PCA batch analysis provided global distillation trajectories, whereas multiset MCR-ALS analysis is proposed to obtain a component-wise characterization of the distillation evolution and distilled fractions. Distillation curves, NIR spectra or compressed NIR information under the form of PCA scores and MCR-ALS concentration profiles were tested as the seed information to build MSPC models. New on-line PCA-based MSPC approaches, some inspired on local rank exploratory methods for process analysis, are proposed and work as follows: a) MSPC based on individual process observation models, where multiple local PCA models are built considering the sole information in each observation point; b) Fixed Size Moving Window - MSPC, in which local PCA models are built considering a moving window of the current and few past observation points; and c) Evolving MSPC, where local PCA models are built with an increasing window of observations covering all points since the beginning of the process until the current observation. Performance of different approaches has been assessed in terms of sensitivity to fault detection and number of false alarms. The outcome of this work will be of general use to define strategies for on-line process monitoring and control and, in a more specific way, to improve quality control of petroleum derived fuels and other substances submitted to automatic distillation processes monitored by NIRS.

show abstract

“…Since in this case the total variance in the spectral set ( D ) can be described by one component, solving the equation D = CS T + E where ( C ) is the concentration, and ( S ) is the spectral profile of the (first) principal component, and ( E ) is the residual matrix, is possible. More details on this multivariate approach can be found in, for instance, [ 44 , 45 , 46 , 47 , 48 ].…”

Section: Methodsmentioning

confidence: 99%

Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study

2023

View full text Add to dashboard Cite

Although single-lipid bilayers are usually considered models of eukaryotic plasma membranes, their research drops drastically when it comes to exclusively anionic lipid membranes. Being a major anionic phospholipid in the inner leaflet of eukaryote membranes, phosphatidylserine-constituted lipid membranes were occasionally explored in the form of multilamellar liposomes (MLV), but their inherent instability caused a serious lack of efforts undertaken on large unilamellar liposomes (LUVs) as more realistic model membrane systems. In order to compensate the existing shortcomings, we performed a comprehensive calorimetric, spectroscopic and MD simulation study of time-varying structural features of LUV made from 1,2-dipalmitoyl-sn-glycero-3-phospho-L-serine (DPPS), whereas the corresponding MLV were examined as a reference. A substantial uncertainty of UV/Vis data of LUV from which only Tm was unambiguously determined (53.9 ± 0.8 °C), along with rather high uncertainty on the high-temperature range of DPPS melting profile obtained from DSC (≈50–59 °C), presumably reflect distinguished surface structural features in LUV. The FTIR signatures of glycerol moiety and those originated from carboxyl group serve as a strong support that in LUV, unlike in MLV, highly curved surfaces occur continuously, whereas the details on the attenuation of surface features in MLV were unraveled by molecular dynamics.

show abstract

Two-Way Data Analysis: Evolving Factor Analysis

Cited by 17 publications

References 9 publications

Application of MCR-ALS with EFA on FT-IR spectra of lipid bilayers in the assessment of phase transition temperatures: Potential for discernment of coupled events

Application of MCR-ALS with EFA on FT-IR spectra of lipid bilayers in the assessment of phase transition temperatures: Potential for discernment of coupled events

Process modeling and control applied to real-time monitoring of distillation processes by near-infrared spectroscopy

Lamellarity-Driven Differences in Surface Structural Features of DPPS Lipids: Spectroscopic, Calorimetric and Computational Study

Contact Info

Product

Resources

About