Search Results - "Žuvela, Petar"

Non-Linear Quantitative Structure⁻Activity Relationships Modelling, Mechanistic Study and In-Silico Design of Flavonoids as Potent Antioxidants by Žuvela, Petar, David, Jonathan, Yang, Xin, Huang, Dejian, Wong, Ming Wah

“…In this work, we developed quantitative structure-activity relationships (QSAR) models for prediction of oxygen radical absorbance capacity (ORAC) of…”
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Prediction of Chromatographic Elution Order of Analytical Mixtures Based on Quantitative Structure-Retention Relationships and Multi-Objective Optimization by Žuvela, Petar, Liu, J Jay, Wong, Ming Wah, Bączek, Tomasz

“…Prediction of the retention time from the molecular structure using quantitative structure-retention relationships is a powerful tool for the development of…”
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Mechanistic Chromatographic Column Characterization for the Analysis of Flavonoids Using Quantitative Structure-Retention Relationships Based on Density Functional Theory by Buszewski, Bogusław, Žuvela, Petar, Sagandykova, Gulyaim, Walczak-Skierska, Justyna, Pomastowski, Paweł, David, Jonathan, Wong, Ming Wah

“…This work aimed to unravel the retention mechanisms of 30 structurally different flavonoids separated on three chromatographic columns: conventional Kinetex…”
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Affinity of Antifungal Isoxazolo[3,4- b ]pyridine-3(1 H )-Ones to Phospholipids in Immobilized Artificial Membrane (IAM) Chromatography by Ciura, Krzesimir, Fedorowicz, Joanna, Žuvela, Petar, Lovrić, Mario, Kapica, Hanna, Baranowski, Paweł, Sawicki, Wiesław, Wong, Ming Wah, Sączewski, Jarosław

“…Currently, rapid evaluation of the physicochemical parameters of drug candidates, such as lipophilicity, is in high demand owing to it enabling the…”
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Quantitative Structure-Retention Relationships with Non-Linear Programming for Prediction of Chromatographic Elution Order by Liu, J Jay, Alipuly, Alham, Bączek, Tomasz, Wong, Ming Wah, Žuvela, Petar

“…In this work, we employed a non-linear programming (NLP) approach via quantitative structure-retention relationships (QSRRs) modelling for prediction of…”
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Addition: Column Characterization and Selection Systems in Reversed-Phase High-Performance Liquid Chromatography by Žuvela, Petar, Skoczylas, Magdalena, Liu, J. Jay, Bączek, Tomasz, Kaliszan, Roman, Wong, Ming Wah, Buszewski, Bogusław, Héberger, Károly

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Prediction of corrosion inhibition efficiency of pyridines and quinolines on an iron surface using machine learning-powered quantitative structure-property relationships by Ser, Cher Tian, Žuvela, Petar, Wong, Ming Wah

“…[Display omitted] •QSPR models predicting N-heterocycle corrosion inhibition efficiency were developed.•Linear model captures relationship between efficiency…”
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Column Characterization and Selection Systems in Reversed-Phase High-Performance Liquid Chromatography by Žuvela, Petar, Skoczylas, Magdalena, Jay Liu, J, Ba̧czek, Tomasz, Kaliszan, Roman, Wong, Ming Wah, Buszewski, Bogusław

“…Reversed-phase high-performance liquid chromatography (RP-HPLC) is the most popular chromatographic mode, accounting for more than 90% of all separations. HPLC…”
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Fiber-Optic Raman Spectroscopy with Nature-Inspired Genetic Algorithms Enhances Real-Time in Vivo Detection and Diagnosis of Nasopharyngeal Carcinoma by Žuvela, Petar, Lin, Kan, Shu, Chi, Zheng, Wei, Lim, Chwee Ming, Huang, Zhiwei

“…Raman spectroscopy is an optical vibrational spectroscopic technique capable of probing specific biochemical structures and conformation of tissue and cells in…”
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Interpretation of ANN‐based QSAR models for prediction of antioxidant activity of flavonoids by Žuvela, Petar, David, Jonathan, Wong, Ming Wah

“…Quantitative structure–activity relationships (QSARs) built using machine learning methods, such as artificial neural networks (ANNs) are powerful in…”
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Ensemble Learning Approaches to Data Imbalance and Competing Objectives in Design of an Industrial Machine Vision System by Žuvela, Petar, Lovrić, Mario, Yousefian-Jazi, Ali, Liu, J. Jay

“…Numerous industrial applications of machine learning feature critical issues that need to be addressed. This work proposes a framework to deal with these…”
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Silver-Lactoferrin Nanocomplexes as a Potent Antimicrobial Agent by Pomastowski, Paweł, Sprynskyy, Myroslav, Žuvela, Petar, Rafińska, Katarzyna, Milanowski, Maciej, Liu, J. Jay, Yi, Myunggi, Buszewski, Bogusław

“…The process of silver immobilization onto and/or into bovine lactoferrin (LTF), the physicochemical properties of bovine lactoferrin and obtained…”
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Molecular Descriptor Subset Selection in Theoretical Peptide Quantitative Structure–Retention Relationship Model Development Using Nature-Inspired Optimization Algorithms by Žuvela, Petar, Liu, J. Jay, Macur, Katarzyna, Bączek, Tomasz

“…In this work, performance of five nature-inspired optimization algorithms, genetic algorithm (GA), particle swarm optimization (PSO), artificial bee colony…”
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Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning by Mazraedoost, Sargol, Žuvela, Petar, Ulenberg, Szymon, Bączek, Tomasz, Liu, J. Jay

“…Quantitative structure-retention relationship (QSRR) modeling has emerged as an efficient alternative to predict analyte retention times using molecular…”
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Machine learning in prediction of intrinsic aqueous solubility of drug‐like compounds: Generalization, complexity, or predictive ability? by Lovrić, Mario, Pavlović, Kristina, Žuvela, Petar, Spataru, Adrian, Lučić, Bono, Kern, Roman, Wong, Ming Wah

“…We present a collection of publicly available intrinsic aqueous solubility data of 829 drug‐like compounds. Four different machine learning algorithms (random…”
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Three-Dimensional Quantitative Structure and Activity Relationship of Flavones on Their Hypochlorite Scavenging Capacity by Yang, Xin, Wang, Tian, Žuvela, Petar, Sun, Mingtai, Xu, Chunyuhang, Zheng, Hongling, Wang, Xiang, Jing, Linzhi, Du, Ke, Wang, Suhua, Wong, Ming Wah, Huang, Dejian

“…Flavonoids, a class of polyphenolic substances widely present in the plant realm, are considered as ideal hypochlorite scavengers. However, to our knowledge,…”
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The influence of zinc ions concentration on β-lactoglobulin structure – physicochemical properties of Zn–β-lactoglobulin complexes by Rodzik, Agnieszka, Railean, Viorica, Pomastowski, Paweł, Žuvela, Petar, Wong, Ming Wah, Buszewski, Bogusław

“…•Zinc ion concentration significantly affects the binding process to βLG.•As the zinc ion concentration increases, the surface morphology of βLG changes.•Asp,…”
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Non-target analysis of phospholipid and sphingolipid species in egg yolk using liquid chromatography/triple quadrupole tandem mass spectrometry by Buszewski, Bogusław, Walczak, Justyna, Žuvela, Petar, Liu, J. Jay

“…•Multiple reaction monitoring was applied in qualitative analysis of phospholipids from egg yolk.•11 classes of phospholipids from egg yolk were investigated…”
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Interactions of zinc aqua complexes with ovalbumin at the forefront of the Zn2+/ZnO-OVO hybrid complex formation mechanism by Buszewski, Bogusław, Žuvela, Petar, Król-Górniak, Anna, Railean-Plugaru, Viorica, Rogowska, Agnieszka, Wong, Ming Wah, Yi, Myunggi, Rodzik, Agnieszka, Sprynskyy, Myroslav, Pomastowski, Paweł

“…[Display omitted] •Study of the Zn2+(aq) – OVA binding interactions.•Paper contributing to a better understanding of metal-protein interfaces.•The mechanism…”
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The study of the molecular mechanism of Lactobacillus paracasei clumping via divalent metal ions by electrophoretic separation by Król-Górniak, Anna, Pomastowski, Paweł, Railean-Plugaru, Viorica, Žuvela, Petar, Wong, Ming Wah, Pauter, Katarzyna, Szultka-Młyńska, Małgorzata, Buszewski, Bogusław

“…•The interdisciplinary approach led to the comprehensive evaluation of bacteria clumping mechanism.•Lactobacillus paracasei clumping under divalent metal ions…”
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