On the properties of a single OPLS-UA model curcumin molecule in water, methanol and dimethyl sulfoxide. Molecular dynamics computer simulation results [PDF]
Condensed Matter Physics, 2017 The properties of model solutions consisting of a solute — single curcumin molecule in water, methanol and dimethyl sulfoxide solvents have been studied using molecular dynamics (MD) computer simulations in the isobaric-isothermal ensemble.
T. Patsahan, J.M. Ilnytskyi, O. Pizio
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K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space [PDF]
BMC Bioinformatics, 2008 Background Kernel-based classification and regression methods have been successfully applied to modelling a wide variety of biological data. The Kernel-based Orthogonal Projections to Latent Structures (K-OPLS) method offers unique properties ...
Holmes Elaine +4 more
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Journal of Pharmacy and Bioallied SciencesIntroduction: Oral premalignant lesions (OPLs) are precursors to oral cancer and are commonly associated with lifestyle risk factors, particularly tobacco and alcohol use.
Neha Khaire +6 more
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Purification of ovine placental lactogen (oPL) using high‐performance liquid chromatography [PDF]
FEBS Letters, 1986 After initial purification of ovine placental lactogen (oPL) using the procedures described previously [(1976) Endocrinology 98, 65‐75], the oPL preparation was further purified by high‐performance liquid chromatography (HPLC) using an anionic exchange column (Bio‐Sil TSK DEAE‐2‐SW).
Nabil G. Seidah +3 more
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Impact of oral precancerous lesions on oral cancer development in patients with oral lichen planus: a retrospective cohort study of 318 oral lichen planus patients [PDF]
Frontiers in Oral HealthBackgroundOral lichen planus (OLP) has been implicated as a potential risk factor for oral cancer. This study aimed to investigate the long-term determinants of oral cancer development following a diagnosis of OLP.Materials and methodsA retrospective ...
Yu-Cheng Chu +7 more
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Quality evaluation of Polygonatum sibiricum slices from different regions based on appearance traits and multi-index metabolites combined with TOPSIS and gray relation analysis [PDF]
Frontiers in PharmacologyIntroductionTraditional Chinese medicine quality control faces challenges, lacking multidimensionality and reliable quantitative evidence. Comprehensive evaluation models based on external characteristics and multiple indicator metabolites are the future
Cheng Wang +9 more
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GC-MS-based metabolomics for the detection of adulteration in oregano samples [PDF]
Journal of the Serbian Chemical Society, 2021 Oregano is one of the most used culinary herb and it is often adulterated with cheaper plants. In this study, GC–MS was used for identification and quantification of metabolites from 104 samples of oregano (Origanum vulgare and O.
Ivanović Stefan +6 more
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The Effect of Monte Carlo, Molecular Dynamic and Langevin Dynamic [PDF]
Journal of Cell and Molecular Research, 2010 Insulin-like growth factor (IGF-1) is an anti-apoptosis factor in multiple cell types associated with various cancers. Computational methods allow investigating the systems between 50–100 atoms in the frame of quantum mechanics and up to 50,000 atoms ...
Reihaneh Sabbaghzadeh +3 more
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Genetic Changes Driving Immunosuppressive Microenvironments in Oral Premalignancy
Frontiers in Immunology, 2022 Oral premalignant lesions (OPLs) are the precursors to oral cavity cancers, and have variable rates of progression to invasive disease. As an intermediate state, OPLs have acquired a subset of the genomic alterations while arising in an oral inflammatory
Roberto Rangel +3 more
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OPLS-Based Multiclass Classification and Data-Driven Interclass Relationship Discovery. [PDF]
J Chem Inf ModelForsgren E +3 more
europepmc +2 more sources