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Search results for: free energy
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Combination of “living” nitroxide-mediated and photoiniferter-induced “grafting from” free-radical polymerizations: From branched copolymers to unimolecular micelles and microgels
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Boron-doped carbon nanowalls for fast and direct detection of cytochrome C and ricin by matrix-free laser desorption/ionization mass spectrometry
PublicationDetecting proteins via surface assisted laser desorption/ionization mass spectrometry (SALDI-MS) method is still highly challenging, and only few examples of nanomaterials have been demonstrated to perform such detection so far. In this study, carbon nanowalls (CNWs), vertically aligned graphene sheet-based materials, presenting specific morphology, dimensions, and boron doping levels have shown improved performances for both qualitative...
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Towards sustainable catalyst-free biomass-based polyurethane-wood composites (PU-WC): From valorization and liquefaction to future generation of biocomposites
PublicationA substantial aspect of materials engineering lies in the responsible process of designing polymer-based materials. Due to environmental pollution, excessive consumption of natural resources, and increasing environmental awareness of society, there is a massive need for polyurethane (PU) materials with reduced environmental impact. To date, research on catalyst-free polyurethane-wood composites (PU-WC) has demonstrated a huge potential...
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Diiodo-BODIPY Sensitizing of the [Mo3S13]2– Cluster for Noble-Metal-Free Visible-Light-Driven Hydrogen Evolution within a Polyampholytic Matrix
PublicationWe report on a photocatalytic setup that utilizes the organic photosensitizer (PS) diiodo-BODIPY and the non-precious-metal-based hydrogen evolution reaction (HER) catalyst (NH4)2[Mo3S13] together with a polyampholytic unimolecular matrix poly(dehydroalanine)-graft-poly(ethyleneglycol) (PDha-g-PEG) in aqueous media. The system shows exceptionally high performance with turnover numbers (TON > 7300) and turnover frequencies (TOF...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Surface Plasmon-Coupled Emission of Rhodamine 110 Aggregates in a Silica Nanolayer
PublicationFirst analysis of strong directional surface plasmon-coupled emission(SPCE) of ground-state formed intermolecular aggregates of Rhodamine 110 (R110) insilica nanofilms deposited on silver nanolayers is reported. Until now, the processes ofenergy transport and its trapping due to aggregate formation have not been studied in the presence of SPCE. A new approach to multicomponent systems with weakly and strongly fluorescent centers...
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Effect of adhesive compliance in the assessment of soft adhesives with the wedge test
PublicationWedge tests are usually analysed assuming that the free, unbonded members may be treated as encastré cantilever beams. However, if the adhesive layer is sufficiently flexible (e.g., due to low elastic modulus), then significant strain in the bonded region may occur and lead to modification of the behaviour outside this region. Using in conjunction a sensitive strain gauge method on asymmetric wedge tests and a mathematical analysis...
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
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Cure kinetics of epoxy/MWCNTs nanocomposites: Isothermal calorimetric and rheological analyses
PublicationA combinatorial route has been applied in cure kinetics study of epoxy nanocomposites containing multi-walled carbon nanotubes (MWCNTs) based on differential scanning calorimetry and rheokinetic analyses under isothermal conditions. Pristine and amine-modified MWCNTs bearing primary and secondary amines were used at very low concentrations (0.1 and 0.3 wt.% based on epoxy weight). Model-free and model-fitting methods were applied...
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CONTROL OF THE WAVES IN A TOWING TANK WITH THE USE OF A BLACK-BOX MODEL
PublicationThe paper describes an adaptive control system of the waves, implemented in the Ship Design and Research Centre, CTO S.A. The purpose of generating the waves in the towing tank is the modelling of the environmental conditions during hydrodynamic model tests. The tests are performed on scale models of towed or free running ships, anchored structures like oil rigs or bottommounted structures, e.g. wind turbines. In the towing tank...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Tuning Cu-Content La1−xSrxNi1−yCuyO3−δ with Strontium Doping as Cobalt-Free Cathode Materials for High-Performance Anode-Supported IT-SOFCs
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A critical review on biochar-assisted free radicals mediated redox reactions influencing transformation of potentially toxic metals: Occurrence, formation, and environmental applications
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Assessing the influence of sewage sludge and derived-biochar in immobilization and transformation of heavy metals in polluted soil: Impact on intracellular free radical formation in maize
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The interaction between cuticle free fatty acids (FFAs) of the cockroaches Blattella germanica and Blatta orientalis and hydrolases produced by the entomopathogenic fungus Conidiobolus coronatus
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A label-free graphene-based impedimetric biosensor for real-time tracing of the cytokine storm in blood serum; suitable for screening COVID-19 patients
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<title>Cavity simulator and controller for VUV free electron laser SIMCON 2.1, part III: I/O ports and measurement results</title>
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Author Correction: Decreased integrity of exercise-induced plasma cell free nuclear DNA – negative association with the increased oxidants production by circulating phagocytes
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Broccoli leaf powder as an attractive by‐product ingredient: effect on batter behaviour, technological properties and sensory quality of gluten‐free mini sponge cake
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Rozmieszczenie wybranych metali ciężkich w ekosystemie oczyszczalni hydrofitowej w Bielkowie.Distribution of heavy metals in ecosystem of free water surface system in Bielkowo.
PublicationIn the article the results of investigations of biomass crop and heavy metal contents in bottom sediments and in three species of plants (Glyceria maxima, Typha latifolia)inhabiting a wetland system in Bielkowo, Poland are presented. The measurements were carried out three times during the vegetation season (May, July and October). The contents of metals in different fragments of plants (leaves, stalks and roots) was analyzed....
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Lead-free bismuth-based perovskites coupled with g–C3N4: A machine learning based novel approach for visible light induced degradation of pollutants
PublicationThe use of metal halide perovskites in photocatalytic processes has been attempted because of their unique optical properties. In this work, for the first time, Pb-free Bi-based perovskites of the Cs3Bi2X9 type (X = Cl, Br, I, Cl/Br, Cl/I, Br/I) were synthesized and subjected to comprehensive morphological, structural, and surface analyses, and photocatalytic properties in the phenol degradation reaction were examined. Furthermore,...
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Comparison of heat transfer from single- and double-sided heated horizontal plate under free convection in air with constant heat flux condition
PublicationThis paper presents the results of an experimental and numerical study of convective heat transfer from a newly designed double-sided heated horizontal plate in air. To ensure equal heat transfer from both surfaces, the plate was equipped with two independently supplied electric heaters and resistance thermometers on each side. Minimizing the plate's thickness reduced lateral heat loss and improved measurement accuracy. The study...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublicationThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublicationBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidized bed boiler – The performance of pilot-scale installation
PublicationThermal utilization of meat-and-bone meal (MBM) is subject to stringent regulations that are meant to provide elimination of any potential pathogens. Incineration as well as other possible routes for thermal conversion of MBM are still at the research state. The universal technology was developed that allows to combust various types of waste organic materials, including animal waste, municipal solid waste and sludge, mixed at any...
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Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
PublicationChitosan–collagen blends have been widely applied in tissue engineering, joints diseases treatment, and many other biomedical fields. Understanding the affinity between chitosan and collagen type II is particularly relevant in the context of mechanical properties modulation, which is closely associated with designing biomaterials suitable for cartilage and synovial fluid regeneration. However, many structural features influence...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublicationTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Innovative system for energy collection and management integrated within a photovoltaic module
PublicationThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry, leads to the conclusion that these batteries are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability to quickly charge and discharge, a higher durability, maintenance-free operation, much smaller dimensions and lighter weight. The...
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Intestinal Permeability in Children with Celiac Disease after the Administration of Oligofructose-Enriched Inulin into a Gluten-Free Diet—Results of a Randomized, Placebo-Controlled, Pilot Trial
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The Improved Quality of Gluten-Free Bread Due to the Use of Flaxseed Oil Cake: A Comprehensive Study Evaluating Nutritional Value, Technological Properties, and Sensory Quality
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Novel Gluten-Free Bread with an Extract from Flaxseed By-Product: The Relationship between Water Replacement Level and Nutritional Value, Antioxidant Properties, and Sensory Quality
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Permeability of Ibuprofen in the Form of Free Acid and Salts of L-Valine Alkyl Esters from a Hydrogel Formulation through Strat-M™ Membrane and Human Skin
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Synthesis, characterization, and application of 2D/2D TiO2-GO-ZnFe2O4 obtained by the fluorine-free lyophilization method for solar light-driven photocatalytic degradation of ibuprofen
PublicationIn this study, we report the potential of 2D/2D TiO2- GO-ZnFe2O4 photocatalyst obtained using the fluorine-free lyophilization technique for the degradation of ibuprofen belonging to the group of active pharmaceutical ingredients (API). The improved ibuprofen degradation under simulated solar light was achieved in the presence of a composite of 2D TiO2 combined with GO and embedded ZnFe2O4, which additionally provides superparamagnetic...
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Escherichia coli K-12 suppressor-free mutants lacking early glycosyltransferases and late acyltransferases. Minimal lipopolysaccharide structure and induction of envelope stress response.
PublicationTo elucidate the minimal lipopolysaccharide (LPS) structure needed for the viability of Escherichia coli, suppressor-free strains lacking either the 3-deoxy-d-manno-oct-2-ulosonic acid transferase waaA gene or derivatives of the heptosyltransferase I waaC deletion with lack of one or all late acyltransferases (lpxL/M/P) and/or various outer membrane biogenesis factors were constructed. Δ(waaC lpxL lpxM lpxP) and waaA mutants exhibited...
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Versatile method employing basic techniques of genetic engineering to study the ability of low molecular weight compounds to bind covalently with DNA in cell free systems.
PublicationMechanizm działania większości leków przeciwnowotworowych oraz związków rakotwórczych polega na ich kowalencyjnym wiązaniu z DNA. Poziom tego wiązania jest zazwyczaj bardzo niski, co powoduje, że potrzebne są niezwykle czułe metody aby kowalencyjna modyfikacja mogła być w ogóle wykryta. My podjęliśmy próbę zastosowania w tym celu prostych, szybkich i sprawdzonych technik inżynierii genetycznej: metody PCR do uzyskania fragmentu...
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Titanium lanthanum three oxides decorated magnetic graphene oxide for adsorption of lead ions from aqueous media
PublicationThe current study presents a viable and straightforward method for synthesizing titanium lanthanum three oxide nanoparticles (TiLa) and their decoration onto the ferrous graphene oxide sheets to produce FeGO-TiLa as efficient magnetic adsorbent. Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and vibration sample magnetometer (VSM) were used to evaluate...
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Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublicationIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
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Impact performance of novel multi-layered prepacked aggregate fibrous composites under compression and bending
PublicationMulti-layered Prepacked aggregate fibrous composite (MLPAFC) is a new type of concrete, which is prepared in two subsequent stages of aggregate-fibre skeleton prepacking and cementitious grouting. In this study, ten MLPAFC mixtures were prepared in three subsequent layers incorporating different contents of four different types of steel fibres. Long and short hooked-end and crimped steel fibers were adopted with 3.0 and 1.5% dosages...
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Innovative Gathering and Energy Management System Integrated within PV Module
PublicationThe dynamic development of battery technology and design based on the flow of lithium ions, mainly driven by the needs of the automotive industry leads to the Conclusion That they are becoming a more viable alternative to traditional lead-acid batteries. Their use is driven by the ability it quickly charge and discharge times higher durability, maintenance-free operation and much smaller dimensions as well as weight. The emergence...
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Antibody reactivity in patients with IgE-mediated wheat allergy to various subunits and fractions of gluten and non-gluten proteins from ω-gliadin-free wheat genotypes
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Treatment of landfill leachate in a constructed free water surface wetland system over a decade – Identification of disturbance in process behaviour and removal of eutrophying substances and organic material
PublicationAn 8 ha free water surface wetland system in Örebro, Sweden, which has sediment traps followed by 10 ponds for treatment of landfill leachate in the methanogenic stage, was studied from 2003 to 2012. The wetland was irregularly loaded and the leachate characteristics showed high temporal and spatial variability, so Multivariate Statistical Process Control was chosen as the diagnostic tool for detecting anomalies prior to assessing...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublicationChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Role of cholesterol in substrate recognition by -secretase
Publication-Secretase is an enzyme known to cleave multiple substrates within their transmembrane domains, with the amyloid precursor protein of Alzheimer’s Disease among the most prominent examples. The activity of -secretase strictly depends on the membrane cholesterol content, yet the mechanistic role of cholesterol in the substrate binding and cleavage remains unclear. In this work, we used all-atom molecular dynamics simulations to examine...
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Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR–Cas9
PublicationAt the core of the CRISPR–Cas9 genome-editing technology, the endonuclease Cas9 introduces site-specific breaks in DNA. However, precise mechanistic information to ameliorate Cas9 function is still missing. Here, multimicrosecond molecular dynamics, free energy and multiscale simulations are combined with solution NMR and DNA cleavage experiments to resolve the catalytic mechanism of target DNA cleavage. We show that the conformation...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Fabrication of La-Doped Bi4Ti3O12 Ceramics
PublicationLa-modified Bi4Ti3O12 is a typical ferroelectric, piezoelectric and electro-optic material, having relatively low coercive field, low dielectric constant, high Curie temperature and high breakdown strength. Goal of the present research was to apply mixed oxide method for fabrication of BiTLax ceramics, study its chemical composition, crystalline structure and microstructure. The compound BiTLax for x=0, 0.25, 0.5, 0.75 ceramic...
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Controlled engineering of Bi4O5Br2 and BiOBr via interactions imidazolium ionic liquids and medium during synthesis as a simple method for enhancement of photocatalytic activity
PublicationIonic liquid-mediated synthesis of Bi4O5Br2 and BiOBr was carried out in non-polar solvents (glycerol, ethylene glycol) and a polar solvent (0.1 M mannitol). The effect of elongation of alkyl side chains (C4mim+, C8mim+, and C16mim+) of imidazolium ionic liquids, which act as a source of bromide and template, on the morphological, optical, and photocatalytic properties of materials was investigated. The crystallite size, morphology,...
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Statistical evaluation of the changes in cellulose properties caused by the stepwise solvent exchange and esterification
PublicationThe objective of the research was to empirically confirm the changes in cellulose reactivity caused by the pre-treatment with solvents of different polarity. Therefore, 5 solvents varying in their polar component of surface tension from 0 to 4.6 mN/m were chosen. Their impact on the biopolymer properties was carefully analysed concerning chemical structure, crystallinity and surface characteristics. It was revealed that the length...
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Efficacy of rice husk biochar and compost amendments on the translocation, bioavailability, and heavy metals speciation in contaminated soil: Role of free radical production in maize (Zea mays L.)
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