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Wyniki wyszukiwania dla: aryl/perfluoroaryl interactions
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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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SEI Growth and Depth Profiling on ZFO Electrodes by Soft X-Ray Absorption Spectroscopy
PublikacjaZnFe2O4 (ZFO) Li-ion batteries (LIBs) represent a reliable, affordable, and safe energy storage technology for use in portable application. However, current LIB active materials (graphite, lithium/transition metal spinel or layered oxides, olivine structures) can store only limited energy since they rely on insertion storage based on solid-state host-guest interactions. Moreover, performances and durability of the cells are strongly...
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Distillery Wastes as External Carbon Sources for Denitrification in Municipal Wastewater Treatment Plants
PublikacjaIn order to improve efficiency of N removal within the existing capacities, the denitrification process can be enhanced by adding external carbon sources. The studies on utilization of various by-products or waste materials as alternative carbon sources for denitrification have been carried out for over 20 years (Sage et al. 2006). Among several commercially available organic compounds (such as methanol, ethanol, acetic acid, glucose),...
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A novel in vitro assay for assessing efficacy and toxicity of antifungals using human leukaemic cells infected with Candida albicans
PublikacjaAims: This study describes a novel in vitro assay that simultaneously determines antifungal efficiency and host cell toxicity using suspensions of human leukaemic cells (HL-60) infected with Candida albicans. Methods and Results: The effect of Candida infection on host cell viability was evaluated by the microscopy of trypan blue-stained cells and lactate dehydrogenase (LDH) activity. The in vitro ‘drug potency assay’ utilized...
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Building damage due to structural pounding during earthquakes
PublikacjaEarthquake-induced pounding between adjacent buildings has been identified as one of the reasons for substantial damage or even total collapse of colliding structures. A major reason leading to interactions in buildings results from the differences in their dynamic parameters and also from insufficient distance between the structures. Although the research on structural pounding has been much advanced, the studies have mainly been...
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Impact of the type of heat exchanger on the characteristics of low-temperature thermoacoustic heat engines
PublikacjaThermoacoustic technologies are considered an effective solution for harnessing low-temperature heat, whether from waste or renewable sources. However, in practice, developing and implementing high-performance ther- moacoustic systems is a complex challenge. In real waste heat recovery systems, heat exchange between ther- moacoustic engines (TAEs) and external heat sources is facilitated by auxiliary systems, such as circulation...
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From Data to Decision: Interpretable Machine Learning for Predicting Flood Susceptibility in Gdańsk, Poland
PublikacjaFlood susceptibility prediction is complex due to the multifaceted interactions among hydrological, meteorological, and urbanisation factors, further exacerbated by climate change. This study addresses these complexities by investigating flood susceptibility in rapidly urbanising regions prone to extreme weather events, focusing on Gdańsk, Poland. Three popular ML techniques, Support Vector Machine (SVM), Random Forest (RF), and...
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Selecting cost-effective risk control option for advanced maritime operations; Integration of STPA-BN-Influence diagram
PublikacjaAdvanced maritime operations, such as remote pilotage, are vulnerable to new emergent risks due to increased system complexity and a multitude of interactions. Thus, maritime researchers this decade have combined Systems-Theoretic Process Analysis (STPA) and Bayesian Network (BN) to effectively manage these risks. Although these methods are effective in identifying hazards and analyzing risk levels, none of the STPA-BN studies...
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Chemically reduced graphene oxide based aerogels - Insight on the surface and textural functionalities dependent on handling the synthesis factors
PublikacjaEfficient adjusting of reduced graphene oxide aerogels properties requires information about experimental factor-aerogel property relationship. In this work, the reduced graphene oxide aerogels surface and textural functionalities in relation to precursor concentration, gelation time and hydrogel freezing temperature were studied in detail, with the use of dynamic adsorption method of gaseous organic probes and experimental design....
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The effect of sunscreen 4‐methylbenzylidene camphor in different and reproductive models, its bioaccumulation and molecular effects on ligand‐receptor interaction, and protein expression
Publikacja4-Methylbenzylidene camphor (4-MBC) is a photo-absorbing UV filter prevalently used in cosmetics, which can be absorbed into circulation and cause systemic effects. 4-MBC is continued to be released in the environment despite the growing knowledge about its bioaccumulation and endocrine disrupting effects. Previous reviews have mentioned UV-filter together but this review considers 4-MBC alone, due to its prevalence and concerning...
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Naturally-derived hydrogels for 3D pancreatic tumor models: A short review
PublikacjaStatistics suggest a high proportion of mortality rate by pancreatic cancer, which is a solid tumor characterized by high heterogeneity and the presence of a complex extracellular matrix. The very low effectiveness of pancreatic cancer treatment roots in the high metastatic potential and drug resistance of this tumor. Therefore, the quest for efficient cellular models enabling precise mimicking in vivo conditions, and anticancer...
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Determination of t8/5 cooling times for underwater local dry welding of steel
PublikacjaKnowledge of thermal history is the basic condition for studying the structure - properties of welded joints. The determinant of thermal history is the thermal cycle, whose in-situ measurements are still a big challenge. Water as the welding environment complicates this issue even more. The article presents a method to determine an equation for calculating t8/5 cooling times for underwater gas metal arc welding of unalloyed steels...
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Synthesis of green benzamide-decorated UiO-66-NH2 for biomedical applications
PublikacjaMetal-organic frameworks (MOFs) biocompatible systems can host enzymes/bacteria/viruses. Herein we synthesized a series of fatty acid amide hydrolase (FAAH)-decorated UiO-66-NH2 based on Citrus tangerine leaf extract for drug delivery and biosensor applications. Five chemically manipulated FAAH-like benzamides were localized on the UiO-66-NH2 surface with physical interactions. Comprehensive cellular and molecular analyses were...
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Chemical Pressure Tuning Magnetism from Pyrochlore to Triangular Lattices
PublikacjaGeometrically frustrated lattices combined with magnetism usually host quantum fluctuations that suppress magnetic orders and generate highly entangled ground states. Three-dimensionally (3D) frustrated magnets generally exist in the diamond and pyrochlore lattices, while two-dimensionally (2D) frustrated geometries contain Kagomé, triangular, and honeycomb lattices. In this work, we reported using chemical pressure to tune the magnetism...
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Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublikacjaThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublikacjaF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Compatibility of Crude Oil Blends─Processing Issues Related to Asphaltene Precipitation, Methods of Instability Prediction─A Review
PublikacjaProcessing crude oil of variable composition, especially due to the need to process crude oil blends obtained from various sources, presents a tremendous process challenge. This is mainly due to the destabilization of the colloidal system manifested mostly by the precipitation of the asphaltene fraction. The precipitation of asphaltenes from crude oil is a serious problem during extraction, transport, and processing. In the latter...
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Developing the Urban Blue-Green Infrastructure as a Tool for Urban Air Quality Management
PublikacjaUrban structure is an important factor that shapes the process of urban ventilation and pollution dispersion. With proper planning of the urban spatial layout, city breathability can be effectively regulated, contributing to urban air quality improvement. This paper investigates the development and current management of urban systems of green and open spaces in four Polish cities: Gda ´nsk, Warsaw, Pozna ´n and Wrocław, with a...
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublikacjaThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Modeling nutrient removal and energy consumption in an advanced activated sludge system under uncertainty
PublikacjaActivated sludge models are widely used to simulate, optimize and control performance of wastewater treatment plants (WWTP). For simulation of nutrient removal and energy consumption, kinetic parameters would need to be estimated, which requires an extensive measurement campaign. In this study, a novel methodology is proposed for modeling the performance and energy consumption of a biological nutrient removal activated sludge system...
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Preparation and characterization of natural rubber composites highly filled with brewers' spent grain/ground tire rubber hybrid reinforcement
PublikacjaBrewers' spent grain (BSG) and ground tire rubber (GTR) were applied as low-cost hybrid reinforcement natural rubber (NR). The impact of BSG/GTR ratio (in range: 100/0, 75/25, 50/50, 25/75 and 0/100 phr) on processing and performance properties of highly filled natural rubber composites was evaluated by oscillating disc rheometer, Fourier-transform infrared spectroscopy, thermogravimetric analysis, scanning electron microscopy,...
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Torsional elasticity and energetics of F1-ATPase
PublikacjaFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Fabrication and photoactivity of ionic liquid–TiO2 structures for efficient visible-light-induced photocatalytic decomposition of organic pollutants in aqueous phase
PublikacjaTo investigate the effect of the ionic liquid (IL) chain length on the surface properties and photoactivity of TiO2, a series of TiO2 microspheres have been synthesized via a solvothermal method assisted by 1-methyl-3-octadecylimidazolium chloride ([ODMIM][Cl]) and 1-methyl-3-tetradecylimidazolium chloride ([TDMIM][Cl]). All as-prepared samples were characterized by X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy...
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Reasons for Implementing Movement in Kinetic Architecture
PublikacjaThe paper gives insights into different forms of movement in contemporary architecture and examines them based on the reasons for their implementation. The main objective of the paper is to determine: the degree to which the complexity of kinematic architecture results from functional and spatial needs and what other motivations there are. The method adopted to investigate these questions involves theoretical studies and comparative analyses...
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Structural motifs in the Cu(II), Mn(II) and Zn(II) complexes based on N,N,N-donor dipodal or N,N,N,N-donor tripodal ligands obtained in situ: Synthesis, crystal structures and xanthine oxidase inhibition properties
PublikacjaA series of four novel transition metal complexes, [Cu(NCS)2L1] (1), [Mn(NCS)2L1] (2) where L1 = bis(1-(3,5-dimethylpyrazolyl)methyl)amine, [Mn(NCS)2L2] (3) and [Zn(NCS)L2]2[Zn(NCS)4] (4) where L2 = tris(1-(3,5-dimethylpyrazolyl)methyl)amine, has been obtained in situ by a one-step, one-pot synthetic path starting from 1-hydroxymethyl-3,5-dimethylpyrazole (L). The isolated complexes were fully characterised by elemental analysis,...
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Catalytic Activity of Nickel and Ruthenium–Nickel Catalysts Supported on SiO2, ZrO2, Al2O3, and MgAl2O4 in a Dry Reforming Process
PublikacjaDry reforming of methane (DRM) is an eco-friendly method of syngas production due to the utilization of two main greenhouse gases—methane and carbon dioxide. An industrial application of methane dry reforming requires the use of a catalyst with high activity, stability over a long time, and the ability to catalyze a reaction, leading to the needed a hydrogen/carbon monoxide ratio. Thus, the aim of the study was to investigate the...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublikacjaThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Dependence between Ionic Liquid Structure and Mechanism of Visible-Light-Induced Activity of TiO2 Obtained by Ionic-Liquid-Assisted Solvothermal Synthesis
PublikacjaBecause of the tremendous structural diversityof ionic liquids (ILs), simple transfer of observations performed for one IL used for IL-TiO2 preparation on different samples is not possible. Therefore, four ionic liquids, all containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, ammonium, imidazolium), were used for the first time for the preparation of IL-TiO2 composites. The role of the individual IL...
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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublikacjaReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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THE UNSUSTAINABILITY OF PUBLIC-SECTOR ORGANIZATIONAL NETWORKS: A CASE STUDY OF VOLUNTARY COURT NETWORKS
PublikacjaPurpose: The purpose of this study is to identify the problem of sustainability of public-sector 12 organizational networks on the example of common courts and what it implies for further 13 research. Methodology: The study used qualitative research tools in the form of structured 14 interviews. Interviews were conducted with 36 presidents and directors of common courts. 15 After conducting and transcribing each interview, their...
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Narracje o świeżej traumie. Upamiętnianie ataków terrorystycznych w krajobrazie codziennym miast
PublikacjaRecent trauma Narratives: commemorating terrorist attacks in Everyday cityscape Contemporary city incidentally becomes a non-accidental target of acts violating the primary sense of security and safety. The fundamental assumptions about so- cial and interpersonal interactions that guarantee social life are severely disturbed. These events, primarily the ones related to terrorist attacks, leave in social memo- ry traces associated...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublikacjaHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Iridium 5d -electron driven superconductivity in ThIr3
PublikacjaA polycrystalline sample of superconducting ThI r 3 was obtained by arc-melting Th and Ir metals. Powder x-ray diffraction revealed that the compound crystalizes in a rhombohedral crystal structure (R-3m, s.g. #166) with the lattice parameters: a = 5.3394 ( 1 ) Å and c = 26.4228 ( 8 ) Å . Normal and superconducting states were studied by magnetic susceptibility, electrical resistivity, and heat capacity measurements. The results...
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Comparative X-ray diffraction and Mössbauer spectroscopy studies of BiFeO3 ceramics prepared by conventional solid-state reaction and mechanical activation
PublikacjaThe aim of this work was to prepare BiFeO3 by modified solid-state sintering and mechanical activation processes and to investigate the structure and hyperfine interactions of the material. X-ray diffraction and Mössbauer spectroscopy were applied as complementary methods. In the case of sintering, BiFeO3 phase was obtained from the mixture of precursors with 3 and 5 % excess of Bi2O3 during heating at 1023 K. Small amounts of...
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A natural deep eutectic solvent - protonated L-proline-xylitol - based stationary phase for gas chromatography
PublikacjaThe paper presents a new kind of stationary phase for gas chromatography based on deep eutectic solvents (DES) in the form of a mixture of L-proline (protonated with hydrochloric acid) as a hydrogen bond acceptor (HBA) and xylitol as a hydrogen bond donor (HBD) in a molar ratio of HBA:HBD 5:1. DES immobilized on a silanized chromatographic support was tested by gas chromatography (GC) in order to determine its resolving power for...
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Deep eutectic solvents – A new platform in membrane fabrication and membrane-assisted technologies
PublikacjaDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the primary drawbacks of typical solvents and ionic liquids (ILs). Since DESs fall into the guidelines of “Twelve Principles of Green Chemistry”, their implementation in several types of applications has exponentially increased over the last years. The usage of DESs has been directed to the designing, manufacture and purification of new materials...
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Up-to-date strategies and future trends towards the extraction and purification of Capsaicin: A comprehensive review
PublikacjaBackground According to the current need of manufacturing healthier products, food companies are seeking specific biomolecules that may offer additional added value (i.e., biological activities) to the new food formulations. Capsaicin, as the pungent ingredient of chili peppers, has become so far one of the target biomolecules explored since the 1950s. There is evidence demonstrating that capsaicin exhibits important biological...
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Lead In drinking water: Adsorption method and role of zeolitic imidazolate frameworks for its remediation: A review
PublikacjaDue to various characteristics properties lead(II) metal is utilized in many applications like lead ion batteries, water pipes, ammunition and paints. For this reason, concentration of lead(II) ions in water is increasing days by days which is alarming for water pollution. Water pollution is a major problem worldwide which affects biosphere badly, and causes continuous reduction of accessible sources of fresh water and ground water, available...
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Expedited Variable-Resolution Surrogate Modeling of Miniaturized Microwave Passives in Confined Domains
PublikacjaDesign of miniaturized microwave components is largely based on computational models, primarily, full-wave electromagnetic (EM) simulations. EM analysis is capable of giving an accurate account for cross-coupling effects, substrate and radiation losses, or interactions with environmental components (e.g., connectors). Unfortunately, direct execution of EM-based design tasks such as parametric optimization or uncertainty quantification,...
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Investigation method of large-volume tire with mobile test rig
PublikacjaThe goal of this research is to develop the tire test method and mobile tire test rig. The test rig enables measurement of tire properties as stiffness and viscous damping in vertical direction, and tire–ground characteristics on the asphalt rigid surface. The tire-ground characteristics are measured by force and a torque measurement hub. The design, calibration and the algorithm for calculating the forces in the wheel center are...
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Optimization of carbamazepine photodegradation on defective TiO2-based magnetic photocatalyst
PublikacjaIn this work, carbamazepine (CBZ) degradation over defective Fe3O4@SiO2/d-TiO2/Pt photocatalyst was studied. Within the titania structure, Ti vacancies and Pt nanoparticles were introduced to enhance the photocatalyst’s light absorption and influence charge carriers’ mobility. For the carbamazepine degradation, process parameters, e.g., temperature, flux intensity, photocatalyst loading, aeration, pH, and addition of H2O2, were optimized...
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Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublikacjaThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
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AMO model for neuro-inclusive remote workplace
PublikacjaPurpose The aim of this article is to extend current debates on organizational equality, diversity and inclusion to a consideration of neurodivergence in the remote workplace context. Design/methodology/approach Drawing on the ability, motivation, and opportunity (AMO) model and an emerging strength-based approach to neurodiversity, this conceptual paper integrates research on neurodiversity at work and remote working to provide...
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Hydration of aprotic donor solvents studied by means of FTIR spectroscopy
PublikacjaThe paper attempts to explain the mutual influence of nonpolar and electron-donor groups on solute hydration,the problem of big importance for biological aqueous systems. Aprotic organic solvents have been used asmodel solutes, differing in electron-donating power. Hydration of acetonitrile, acetone, 2-butanone, andtriethylamine has been studied by HDO and (partially) H2O spectra. The quantitative version of...
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublikacjaTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublikacjaHydroxymethylfurfural (HMF), furfural (FF), hydroquinone (HQ), and vanillin (VAN) are among the main inhibitors generated during most of biomass pre-treatments prior to fermentation processes. They are recognized as toxic to several fermentative microorganisms and therefore cause a decrease in biohydrogen or biofuel production (after hydrolysis). Moreover, if they are released into aqueous solutions (after fermentation), they can...
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Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices
PublikacjaIn new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which...
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Starch-clay nanocomposite films
PublikacjaStarch is a natural polymer which, due to its renewability, biodegrability, availability and a relatively low cost, has a high potential for applications in biodegradable materials. However, because of its hydrophilic nature, the number of commercially available starch-based products is still limited. Recently, starch-based nanocomposites with the addition of clay minerals as nanofillers have given rise to large-scale improvements...
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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...