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Processing and structure–property relationships of natural rubber/wheat bran biocomposites
PublikacjaIn this work, wheat bran was used as cellulosic filler in biocomposites based on natural rubber. The impact of wheat bran content [ranging from 10 to 50 parts per hundred rubber (phr)] on processing, structure, dynamic mechanical properties, thermal properties, physico-mechanical properties and morphology of resulting biocomposites was investigated. For better characterization of interfacial interactions between natural rubber...
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Structure-property relationships disclosed in the family of acridinium esters – chemiluminogenic molecules of great practical importance
PublikacjaAcridinium esters (AE), since their introduction to the analytics 30 years ago, make one of the most important groups of chemiluminogenic (CL) systems, that have been employed in medical diagnostics and environmental analysis today. So far, however, no systematic studies on the structureproperty relationships were carried out in this family of compounds. The latter features likely determine their practical utility and facilitate...
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Structure-property relationships in peroxide-assisted blends of poly(ε-caprolactone) and poly(3-hydroxybutyrate)
PublikacjaPoly(ε-caprolactone) and poly(3-hydroxybutyrate) (PCL/PHB) blends in two weight ratios (75/25 and 50/50) were reactively compatibilized in the presence of di-(2-tert-butyl-peroxyisopropyl)-benzene and dicumyl peroxide as free radical initiators. Rheological, mechanical, thermal properties and morphological features, as well as the chemical structure of PCL/PHB blends were investigated. It was found that regardless of PCL/PHB blend...
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Structure–property relationships and third-order nonlinearities in diketopyrrolopyrrole based D–π–A–π–D molecules
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Structure-Activity Relationships in Two-Electron Reduction of Quinones
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublikacjaIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Comprehensive Investigation of Stoichiometry–Structure–Performance Relationships in Flexible Polyurethane Foams
PublikacjaPolyurethane (PU) foams are versatile materials with a broad application range. Their performance is driven by the stoichiometry of polymerization reaction, which has been investigated in several works. However, the analysis was often limited only to selected properties and compared samples differing in apparent density, significantly influencing their performance. In the bigger picture, there is still a lack of comprehensive studies...
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Quantitative structure–retention relationships in affinity high-performance liquid chromatography
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Exploring the structure–property schemes in anion–π systems of d-block metalates
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Quantitative structure–retention relationships of ionic liquid cations in characterization of stationary phases for HPLC
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Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)
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Structure-Property Relationship and Multiple Processing Studies of Novel Bio-Based Thermoplastic Polyurethane Elastomers
PublikacjaCurrently, the growing demand for polymeric materials has led to an increased need to develop effective recycling methods. This study focuses on the multiple processing of bio-based thermoplastic polyurethane elastomers (bio-TPUs) as a sustainable approach for polymeric waste management through mechanical recycling. The main objective is to investigate the influence of two reprocessing cycles on selected properties of bio-TPUs....
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New lanthanide–CB[6] coordination compounds: relationships between the crystal structure and luminescent properties
PublikacjaThe reaction between cucurbit[6]uril (CB[6]) and lanthanide chlorides (Eu, Sm, Tb and Tm) in acidic aqueous media led to four new structures. The compounds obtained are isostructural with general formula [Ln2(H2O)12(H2O@CB[6])]Cl6(H2O)4 (Ln = Eu3+ (1), Sm3+ (2), Tb3+ (3) and Tm3+ (4)) and crystallize in the P21/c space group. For the complexes with Eu3+, Sm3+ and Tb3+, the luminescent properties in the solid state and aqueous media...
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Quantitative structure activity relationships for the conversion of nitrobenzimidazolones and nitrobenzimidazoles by DT-diaphorase: implications for the kinetic mechanism
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Quantitative structure–activity relationships in enzymatic single-electron reduction of nitroaromatic explosives: implications for their cytotoxicity
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How the “Liquid Drop” Approach Could Be Efficiently Applied for Quantitative Structure–Property Relationship Modeling of Nanofluids
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Structure–activity relationships study on biological activity of peptides as dipeptidyl peptidase IV inhibitors by chemometric modeling
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Structure–Activity Relationships and Therapeutic Applications of Retinoids in View of Potential Benefits from Drug Repurposing Process
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Study of the chromatographic behavior of selected antipsychotic drugs on RP-TLC based on quantitative structure–retention relationships
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Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands
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Inhibition of phthalocyanine-sensitized photohemolysis of human erythrocytes by polyphenolic antioxidants: description of quantitative structure–activity relationships
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Two-electron reduction of quinones by Enterobacter cloacae NAD(P)H:nitroreductase: quantitative structure-activity relationships
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublikacjaThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
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Study of the chromatographic behavior of selected steroid hormones on aluminum oxide plates based on quantitative structure-retention relationships
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Transcriptomics‐Based and AOP‐Informed Structure–Activity Relationships to Predict Pulmonary Pathology Induced by Multiwalled Carbon Nanotubes
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Quantitative Structure–Activity Relationships in Two-Electron Reduction of Nitroaromatic Compounds by Enterobacter cloacae NAD(P)H:Nitroreductase
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Two-electron reduction of quinones by rat liver NAD(P)H:quinone oxidoreductase: quantitative structure–activity relationships
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The effect of hybridization of fire retarded epoxy/flax-cotton fiber laminates by expanded vermiculite: Structure-property relationship study
PublikacjaThe study describes the hybridization of epoxy/flax-cotton (EP/FF) composites containing ammonium polyphosphate (APP) with micrometric expanded vermiculite (VMT) (1–10 wt%). The efficiency of hybridization of flame retarded epoxy/flax-cotton composites was assessed by performing static tensile and flexural strength evaluation, supplemented by impact strength measurements of the composites. Moreover, thermal and thermomechanical...
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Investigating the Impact of Curing System on Structure-Property Relationship of Natural Rubber Modified with Brewery By-Product and Ground Tire Rubber
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Exploring ion-ion preferences through structure-property correlations: amino acid-derived, bis(guanidinium) disiloxane salts
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Predicting enthalpy of vaporization for Persistent Organic Pollutants with Quantitative Structure–Property Relationship (QSPR) incorporating the influence of temperature on volatility
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Investigating the Impact of Curing System on Structure-Property Relationship of Natural Rubber Modified with Brewery By-Product and Ground Tire Rubber
PublikacjaThe application of wastes as a filler/reinforcement phase in polymers is a new strategy to modify the performance properties and reduce the price of biocomposites. The use of these fillers, coming from agricultural waste (cellulose/lignocellulose-based fillers) and waste rubbers, constitutes a method for the management of post-consumer waste. In this paper, highly-filled biocomposites based on natural rubber (NR) and ground tire...
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Fingerprinting, structure, and genetic relationships among selected accessions of blue honeysuckle (Lonicera caerulea L.) from European collections
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Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems
PublikacjaThis work focuses on determining the influence of both ionic liquid (IL) type and redox couple concentration on Seebeck coefficient values of such a system. The quantitative structure property relationship (QSPR) and read-across techniques are proposed as methods to identify structural features of ILs (mixed with LiI/I2 redox couple), which have the most influence on the Seebeck coefficient (Se) values of the system. ILs consisting...
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Novel NK1R-Targeted 68Ga-/177Lu-Radioconjugates with Potential Application against Glioblastoma Multiforme: Preliminary Exploration of Structure–Activity Relationships
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Activity Evaluation and Selection of Some Classes of Antibiotics with the use of Semi-Empirical Quantum Mechanics and Quantitative Structure- Activity Relationships Approach
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Reversed-phase and normal-phase thin-layer chromatography and their application to the lipophilicity prediction of synthetic pyrethroids based on quantitative structure–retention relationships
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Quantitative structure activity relationships for the electron transfer reactions ofAnabaenaPCC 7119 ferredoxin-NADP+oxidoreductase with nitrobenzene and nitrobenzimidazolone derivatives: mechanistic implications
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Molecular mechanism of retention in reversed-phase high-performance liquid chromatography and classification of modern stationary phases by using quantitative structure–retention relationships
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Quantitative structure—retention relationships of some steroid and phenanthrene derivatives on cyano-, reversed-phase, and normal-phase thin-layer chromatography stationary phases
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Mass spectrometry based identification of geometric isomers during metabolic stability study of a new cytotoxic sulfonamide derivatives supported by quantitative structure-retention relationships
PublikacjaA set of 15 new sulphonamide derivatives, presenting antitumor activity have been subjected to a metabolic stability study. The results showed that besides products of biotransformation, some additional peaks occurred in chromatograms. Tandem mass spectrometry revealed the same mass and fragmentation pathway, suggesting that geometric isomerization occurred. Thus, to support this hypothesis, quantitative structure-retention relationships...
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A Comparative Quantitative Structure-Retention Relationships Study for Lipophilicity Determination of Compounds with a Phenanthrene Skeleton on Cyano-, Reversed Phase-, and Normal Phase-Thin Layer Chromatography Stationary Phases
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Application of multivariate mathematical-statistical methods to compare reversed-phase thin-layer and liquid chromatographic behaviour of tetrazolium salts in Quantitative Structure-Retention Relationships (QSRR) studies
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Molecular Modelling of the Neurophysin II/Vasopressin Complex
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Commercially produced and modified starches
PublikacjaThis book presents some fascinating phenomena associated with the remarkable features of high performance polymers and also provides an update on applications of modern polymers. It offers new research on structure–property relationships, synthesis and purification, and potential applications of high performance polymers. The collection of topics in this book reflects the diversity of recent advances in modern polymers with a broad...
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Recent advances in compatibilization strategies of wood-polymer composites by isocyanates
PublikacjaWood-polymer composites technologies are gaining more and more attention in the scientific community, positively affecting the increase in their industrial applications, for example, automotive, building, 3D printing, etc. Many research works are focused on the improvement in matrix–lignocellulosic filler interactions to produce highly filled composites with satisfying performance properties. In this field of research, using isocyanates...
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Chemometrics for Selection, Prediction, and Classification of Sustainable Solutions for Green Chemistry—A Review
PublikacjaIn this review, we present the applications of chemometric techniques for green and sustainable chemistry. The techniques, such as cluster analysis, principal component analysis, artificial neural networks, and multivariate ranking techniques, are applied for dealing with missing data, grouping or classification purposes, selection of green material, or processes. The areas of application are mainly finding sustainable solutions...
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Piezoresponse force microscopy and dielectric spectroscopy study of Ba0.6Sr0.4TiO3 thin films
PublikacjaResearch on synthesis, characterization and determination of processing – structure – property relationships of commercially important ferroelectric thin films has been performed. The sol-gel-type solution deposition technique was applied to produce good quality thin films of Ba0.6Sr0.4TiO3 (BST60/40) chemical composition on the stainless steel substrates. The thin films were characterized in terms of their microstructure, crystal...
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Microwave treatment in waste rubber recycling – recent advances and limitations
PublikacjaEnvironmentally-friendly microwave heating is increasingly used in polymer chemistry and technology. The selectivity and highly efficiency in the heat transfer present a huge advantage in systems based on recycling, improving their productivity and economic competitiveness. In case of the industrial recycling of waste rubbers, especially end-of-life tires, microwave-induced devulcanization and pyrolysis are nowadays considered...