Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 33 for “"OPLS"”.
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Die Arbeitssituation theologischer OPLs : eine empirische Untersuchung
In der Untersuchung wird einleitend ein Überblick über bereits erfolgte OPL-Befragungen gegeben sowie das Untersuchungsziel umrissen. Es werden die Leitsätze bzw. die Leitlinien der Evangelischen und Katholischen Kirche dazu einbezogen. Die Befragungsmethode, der Fragebogen und die Durchführung der …
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Practical application of machine learning for analyses of biological matrices and environmental phenomena.
… squares (PLS), orthogonal partial least squares (OPLS), and transposed orthogonal partial least squared (T-OPLS). Several different statistical designs of experiments (DoE) were also implemented, including face-centred composite design (CCF), simplex mixture design, and definitive screening (DS) …
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Assessment of methods to screen for carotenoids in yellow-fleshed potato germplasm
… partial least square (PLS) and orthogonal-PLS (OPLS) were created to determine any sample differentiation among the yellow germplasm. FC rating data (0 – 3) were integrated to MVA models as a covariate. Rep 3 samples were excluded in all MVA analyses due to high presence of noise in the raw …
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Metabolomic modelling and applications in inflammatory bowel diseases
… using both unsupervised (PCA-X) and supervised (OPLS-DA) models in SIMCA in order to determine discriminating metabolite biomarkers responsible for the observed clustering patterns.;Results: Compared to the various imputation methods used in this study, NIPALS algorithm along with suitable …
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Die Bibliotheken der außeruniversitären Forschungseinrichtungen in Magdeburg
… sind auf den zweiten Blick keine klassischen OPLs, sondern eng eingebunden in das jeweilige Bibliotheks-Netz.
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Roles for motifs of cell cycle regulating kinases beyond substrate selection of individual kinases
… Scanning Oriented Peptide Library Screening (PS-OPLS), which gives complete, unbiased motifs. The PS-OPLS motif of Plkl revealed a previously unreported specificity of Plkl leading to the identification of new candidate substrates, including p31/Comet, which is involved in the silencing of the …
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Metabolomic comparison of selected Helichrysum species to predict their antiviral properties
… to Latent Structure – Discriminate Analysis (OPLS-DA) on the basis of their activity and NMR spectra data. From the OPLS scoring plots analysis, contribution plots were created which indicated regions responsible for the difference between the species, with these regions being investigated to …
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Effects of time and temperature during melanging on the volatile profile of dark chocolate
… (PCA) and orthogonal partial least squares (OPLS). These analyses found that time, rather than temperature, accounted for most of the variation among samples. Some trends among chemical classes were identified, and certain indicator compounds were highlighted for their particular relevance to …
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A study of monomer liquid mixtures and polymer network formation at a solid surface using molecular dynamics
… four variations of this force field with OPLS and presents the structural and dynamical properties of the liquids. The OPLS force field is deemed appropriate to study such systems and presents several advantages over DREIDING force field variations, such as a ease of use. Results show that …
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Exploring recent innovations in ambient mass spectrometry to deliver a paradigm shift in food safety, security and authenticity
… partial least squares-discriminant analysis (OPLS-DA) chemometric models were built which demonstrated clear differences between some of the different production systems, most notably allowing those using different breeds of bird to be identified. <br/>The correct classification rates for …
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Metabolic profiling of cyanobacterial extracts using multivariate data analysis for their anti-obesity properties
… partial least squeares discriminant analysis (OPLS-DA) were applied to explore if there was any difference between strains which were „active“ versus „non-active“. Several biomarkers, with the highest variability were then selected from different fractions of cyanobacteria. Results and …
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The use of metabolomics tools to assess the therapeutic natural products of honey and propolis from Malaysia and New Zealand
… partial least squares discriminant analysis (OPLS-DA) in SIMCA-P 14.0 to predict and pinpoint the plausible bioactive components against respective cancer cell lines. The chemical profiling of honey from Malaysia and New Zealand were also obtained using the same metabolomics approach.;However, …
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Structure, dynamics, and interactions of Angiotensin family of peptides with functional implications.
… generated for AngI and AngII, at 300 K using the OPLS-AA potential and SPC water. The structures sampled in the simulations mostly agree with the experimental results, showing the prevalence of disordered structures, turns and polyproline helices. The main difference is the lack of significant …
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Molecular insights on the solvent effect of methanol additive in glycine polymorph selection
… the Optimized Potential for Liquid Simulations (OPLS) force field and parameters with modified Lennard-Jones parameters for hydrogens attached to a-carbon in glycine zwitterion. Solution and interface simulations in water and 50% v/v water-methanol solutions reveal the mechanism through which …
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Molecular Study of Capsaicin in Aqueous and Hydrophobic Environments
… The results of these simulations validate the OPLS united-atom force field as a reasonable molecular representation of capsaicin, as it describes the behavior of capsaicin both quantitatively and qualitatively in 1-octanol/water mixtures. In the second part, simulations are performed for …
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The use of hair detect (and monitor) chronic hyperglycaemia
… to Latent Structures Discriminant Analysis (OPLS-DA) models between spectra obtained from hair of diabetic participants and spectraobtained from control hair show good separation and predictive ability. When ATR-FTIR spectra were analysed in four groups: children with natural hair, adults …
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A metabolomics approach for targeted isolation and production of bioactive secondary metabolites in microbial isolates from extreme environments
… partial least squares discriminant analysis (OPLS-DA) in SIMCA was used to predict and pinpoint the biologically active secondary metabolites. Up-scaling was optimised to increase the production yield of the target metabolites. Additionally, specific bioassay screening determined the activity, …
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The Use of Hair Cortisol as a Biomarker of Chronic Stress in Patients with a recent Acute Myocardial Infarction
… to Latent Structures Discriminant Analysis (OPLS-DA) and Partial Least Squares (PLS) models were used to compare groups. Results Of the intended sample size of 75, 64 participants (48 acute MI cases and 16 healthy controls) were recruited. The total hair cortisol concentration was …
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Quantum Mechanically Derived Biomolecular Force Fields
… which is below that of the popular force field OPLS (7.4%). Torsional parameters were also calculated for our protein force field and the conformational preferences of peptides and proteins were subsequently tested. Comparable accuracy to standard transferable force fields was achieved for …
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La Metabolomica: una nuova era in Cardiologia. Le nostre esperienze originali nei campi dell' insufficienza cardiaca, della cardiopatia ischemica e dell' ipertensione polmonare
… on Latent Structures Discriminant Analysis (OPLS-DA) was applied to evaluate whether it is possible to realize a descriptive model of the two different expressions of CAD. CA showed an OCA in 6 patients and a MD in the other 5. OPLS-DA identified two clusters related to the CA groups, …
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