Determination of flash point and cetane index in diesel using distillation curves and multivariate calibration
Keywords: Diesel; Flammability; Quality of ignition; PLS;
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Predictive insight into the relationship between AhR binding property and toxicity of polybrominated diphenyl ethers by PLS-derived QSAR
Keywords: Polybrominated diphenyl ether; Toxicity; AhR binding affinity; WHIM; DFT; PLS
Molecular interaction fields based descriptors to interpret and compare chromatographic indexes
Keywords: Chromatographic index; Log k; Molecular interaction fields; PLS; VolSurf+
Multivariate calibration in differential pulse stripping voltammetry using a home-made carbon-nanotubes paste electrode
Keywords: DPSV; CNPE; Chemometrics; PLS; Standard addition method
Studies on banana fruit quality and maturity stages using hyperspectral imaging
Keywords: Non-destructive; Hyperspectral; Maturity; PLS; MLR; PCA;
Rheological parameters determination using Near Infrared technology in whole wheat grain
Keywords: AACC; American Association of Cereal Chemists; L; dough extensibility; Log(1/R); absorbance; NIRS; Near Infrared Spectroscopy; P; dough tenacity; PLS; partial least square regression; R; reflectance; R2; coefficient of determination; RPD; ratio performanc
Extension of the consistency of the data obtained with the Ideal Profile Method: Would the ideal products be more liked than the tested products?
Keywords: Consumer; Ideal Profile Method; Liking, Consistency; Permutation test; PLS; PCR
Quantification of blending of olive oils and edible vegetable oils by triacylglycerol fingerprint gas chromatography and chemometric tools
Keywords: Olive oil; Vegetable oil; Blends; Genetic algorithm; PLS; GC–MS
Linking GC-MS and PTR-TOF-MS fingerprints of food samples
Keywords: PLS; LASSO; Proton transfer reaction-mass spectrometry; Time-of-flight; Prediction; Multivariate correlation;
Determination of vegetable oils and fats adulterants in diesel oil by high performance liquid chromatography and multivariate methods
Keywords: Biodiesel; HPLC; Oils and fats; PCA; KNN; PLS
Real-time determination of critical quality attributes using near-infrared spectroscopy: A contribution for Process Analytical Technology (PAT)
Keywords: SOPs; Standard Operating Procedures; PAT; Process Analytical Technology; US-FDA; United States Food and Drug Administration; NIRS; near infrared spectroscopy; HPLC; high-performance liquid chromatography; ISO; International Organization for Standardizatio
Simultaneous quantification of l-α-phosphatidylcoline and cholesterol in liposomes using near infrared spectrometry and chemometry
Keywords: NIR spectroscopy; PLS; l-α-Phosphatidylcoline; Cholesterol; Liposomes
Libraries, classifiers, and quantifiers: A comparison of chemometric methods for the analysis of Raman spectra of contaminated pharmaceutical materials
Keywords: Rapid screening; Raman spectroscopy; Spectral library; SIMCA; PLS
Prediction of Zamorano cheese quality by near-infrared spectroscopy assessing false non-compliance and false compliance at minimum permitted limits stated by designation of origin regulations
Keywords: IR; infrared; NIR; near-infrared; MIR; mid-infrared; NIT; near-infrared transmittance; FFFS; front-face fluorescence spectroscopy; PLS; Partial Least Squares; PDO; Protected Designation of Origin; PGI; Protected Geographical Indication; DO; designation of
A review of variable selection methods in Partial Least Squares Regression
Keywords: Variable selection; PLS;
Calibration of artificial neural network and partial least squares regression models for the prediction of secoisolariciresinol diglucoside contents in microwave-assisted extracts of various flaxseed (Linum usitatissimum L.) samples
Keywords: ANN; PLS; SDG; UV-Vis; Spectrophotometric; Calibration; Nutraceutical; Polyphenol;
A comparative study of feature extraction methods for the diagnosis of Alzheimer's disease using the ADNI database
Keywords: Computer-aided diagnosis system; Alzheimer's disease; PLS; GMM; Support vector machine; ADNI database
A RFID web-based infotracing system for the artisanal Italian cheese quality traceability
Keywords: RFID; Spectrophotometry; Tracing web-based architecture; PLS; Chemical analyses; Buffalo milk cheese;
Simultaneous analysis of bifenthrin and tetramethrin using corona discharge ion mobility spectrometry and Tucker 3 model
Keywords: Ion mobility spectrometry; Tetramethrin; Bifenthrin; Tucker 3; N-PLS; PLS;
High-throughput NIR-chemometric methods for determination of drug content and pharmaceutical properties of indapamide powder blends for tabletting
Keywords: NIR spectroscopy; PLS; Particle size; Powder flow; Indapamide;
The design, synthesis, in silico ADME profiling, antiplasmodial and antimycobacterial evaluation of new arylamino quinoline derivatives
Keywords: Antiplasmodial; Antimycobacterial; Arylamino quinoline tetrazoles; Physico-chemical properties; LGCCUMAZYNMYQJ-UHFFFAOYSA-N; ASBQKDGGVSELGK-UHFFFAOYSA-N; ULKYZCWFSKRIAW-UHFFFAOYSA-N; AWAMGPBRYIMAJY-UHFFFAOYSA-N; SZMJVGJCALVYFM-UHFFFAOYSA-N; NUXYBKNVYZESNU
Impaired adaptability of in vivo mitochondrial energetics to acute oxidative insult in aged skeletal muscle
Keywords: ANT1; adenine nucleotide translocase 1; ATPase; resting rate of ATP hydrolysis; ATPmax; maximum rate of oxidative phosphorylation; Cr; total creatine; ETC; electron transport chain; FDI; first dorsal interosseous; Hb; hemoglobin; HNE; 4-hydroxy-2-nonenal;
Prediction of the optimum harvest time of ‘Scarlet’ apples using DR-UV–Vis and NIR spectroscopy
Keywords: Near-infrared spectroscopy; UV–Vis analysis; Ripening parameters; PLS; Multivariate calibration; Harvest date
Evaluation of fast volatile analysis for detection of Botrytis cinerea infections in strawberry
Keywords: Fragaria x ananassa; HS MCC-IMS; HS SPME fast GC-MS; Chemometrics; Aroma; ELISA; Enzyme-Linked Immunosorbent Assay; HFMS; Headspace Fingerprint Mass spectrometry; HS MCC-IMS; Headspace Multicapillary column-ion mobility spectrometry; HS SPME fast
On the gasification of biomass: Data analysis and regressions
Keywords: Biomass; Gasification; Multivariate analysis; PCA; PLS
Lipid peroxidation modifies the picture of membranes from the “Fluid Mosaic Model” to the “Lipid Whisker Model”
Keywords: Lipid peroxidation; Fluid Mosaic Model; Lipid rafts; Lipid Whisker Model; C16:0; palmitic acid; C18:0; stearic acid; C18:2 n-6; linoleic acid; C18:3 n-3; α-linolenic acid; C20:4 n-6; arachidonic acid; CD36; “pattern recognition” receptor; FAT; fatty
Strategies for multivariate modeling of moisture content in freeze-dried mannitol-containing products by near-infrared spectroscopy
Keywords: API; Active pharmaceutical ingredient; FD; Freeze-dried; FT; Fourier transformed; KF; Karl Fischer; MIPCR; Main and interactions of individual principal component regression; MPE; Mean prediction error; MSC; Multiplicative signal correction; NIR; Near-inf
Evaluation of perennial ryegrass (Lolium perenne L.) for digestibility using thermogravimetry
Keywords: DMD; dry matter digestibility; DTG; derivative thermogravimetry; MT; mathematical transformation; NIRS; near infrared spectroscopy; OMD; organic matter digestibility; PCA; principal component analysis; PLS; partial least squares regression; SECV; standard
Cytochrome c oxidase: Intermediates of the catalytic cycle and their energy-coupled interconversion
Keywords: COX; cytochrome oxidase; PLS; proton loading site; ET; electron transfer; P- and N-phases; positively and negatively charged aqueous phases separated by the coupling membrane; Subscripts: bt, rs and pd; numbering of the residues in COX from bovine heart,
Towards an integrated model of IT acceptance in healthcare
Keywords: Compatibility; Information quality; PLS; System use; TAM; User experience
The chemotypic variation of Sceletium tortuosum alkaloids and commercial product formulations
Keywords: Central nervous system; Chemotype; Mesembrine-type; Phytochemical variation; Sceletium tortuosum; CNS; central nervous system; PCA; principle component analysis; PDE; phosphodiesterase; PLS; partial least squares; QC; quality control;
Development and analytical validation of a multivariate calibration method for determination of amoxicillin in suspension formulations by near infrared spectroscopy
Keywords: Net analyte signal; PLS; NIR; Quality control; Chemometrics;
Near-infrared spectroscopy to assist authentication and labeling of Asiago d'allevo cheese
Keywords: Authentication; Near-infrared spectroscopy; Asiago d'allevo cheese; PLS-DA; PLS; VIP index;
Quantitative characterization of lignocellulosic biomass using surrogate mixtures and multivariate techniques
Keywords: Lignocellulose; Composition; Multivariate analysis; FT-IR; PLS;
A new quantitative structure–property relationship model to predict bioconcentration factors of polychlorinated biphenyls (PCBs) in fishes using E-state index and topological descriptors
Keywords: QSPR; Polychlorinated biphenyls; Bioconcentration factor; PLS; OPS; OECD principles
A micromachined thermoelectric sensor for natural gas analysis: Multivariate calibration results
Keywords: Gas sensor; Natural gas; MEMS; Superior heating value; Density; PLS
OnPLS path modelling
Keywords: OnPLS; OPLS; Orthogonal variation; PLS; PLS path model;
Redundancy analysis for characterizing the correlation between groups of variables - Applied to molecular descriptors
Keywords: Variable blocks; Correlation; RA; CCA; PLS
Coupled electron and proton transfer reactions during the O â E transition in bovine cytochrome c oxidase
Keywords: CcO; cytochrome c oxidase; DFT; density functional theory; QM; quantum-mechanical; PBE; Poisson-Boltzmann Equation; SCRF; self-consistent reaction field; Em; midpoint potential; ATP; adenosine-5â²-triphosphate; BNC; binuclear center; PLS; proton-loadin
Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis
Keywords: CYP; cytochrome P450; CYP2C9; cytochrome P450 subtype 2C9; CYP2D6; cytochrome P450 subtype 2D6; CYP1A2; cytochrome P450 subtype 1A2; CYP2C19; cytochrome P450 subtype 2C19; CYP3A4; cytochrome P450 subtype 3A4; PLR; partial logistic regression; PLS; partial
Predicting uptake of technology innovations in online family dispute resolution services: An application and extension of the UTAUT
Keywords: ODR; UTAUT; Technology acceptance; PLS; Mediation; Divorce
The influence of types of training on service system performance in mass service and service shop operations
Keywords: Service process matrix; Quality management training; Job specific training; PLS;
Harvest maturity detection for ‘Nam Dokmai #4’ mango fruit (Mangifera indica L.) in consideration of long supply chains
Keywords: Fresh produce; Fruit quality; Maturation; PCA; PLS; Postharvest ripening
Multistate analytics for continuous processes
Keywords: Multistate analytics; Process monitoring; Continuous process; State variables; Fault detection; Statistical process control; PLS; PCA
Value innovation, deliberate learning mechanisms and information from supply chain partners
Keywords: Strategic innovation; Deliberate learning; Supply chain cooperation; Absorptive capacity; PLS
A review of multivariate methods for multimodal fusion of brain imaging data
Keywords: Multivariate methods; Multimodal fusion; ICA; CCA; PLS; MRI
A perspective on PSE in pharmaceutical process development and innovation
Keywords: ANN; artificial neural network; API; active pharmaceutical ingredient; CAMD; computer-aided molecular design; CFD; computational fluid dynamics; CP; continuous processing; CPM; continuous pharmaceutical manufacturing; CPP; critical process parameter; CQA;
Mapping pilicide anti-virulence effect in Escherichia coli, a comprehensive structure-activity study
Keywords: SAR; structure activity relationship; QSAR; quantitative structure activity relationship; PLS; partial least squares; OPLS-DA; orthogonal projections to latent structures discriminant analysis; UTI; urinary tract infection; SMD; statistical molecular desi
Robust pose invariant face recognition using coupled latent space discriminant analysis
Keywords: Pose-invariant-face recognition; Coupled latent space; PLS; CCA; Discriminant coupled subspaces
Metabolic signatures of cancer unveiled by NMR spectroscopy of human biofluids
Keywords: AL; acute leukaemia; Apo-IV and ApoA-I; apolipoproteins; AUC; area under curve; BE; Barret's esophagus; BMRB; Biological Magnetic Resonance Data Bank; BPH; benign prostatic hyperplasia; CA 19-9, CEA, CA 27.29; cancer antigens; CC; cholangiocarcinoma; CC