Azobenzene-containing polymer networks are unique compounds that are able to change their shape in response to light, which makes them prospective materials for photocontrollable nano-templates, sensors, microrobots, artificial muscles, etc. In prese...
A versatile numerical model for hydrogen absorption into metals was developed. Our model addresses the kinetics of surface adsorption, subsurface transport (which plays an important role for metals with active surfaces), and bulk diffusion processes....
Mixed conducting perovskite oxides and related structures serving as electrodes for electrochemical oxygen incorporation and evolution in solid oxide fuel and electrolysis cells, respectively, play a significant role in determining the cell efficienc...
Electromechanical energy conversion systems (EECSs) are widely used in vehicles to combine the double-row planetary gear system (DRPGS) with high transmission efficiency and high-performance motors. The integrated structure of the ring gear and motor...
Tyrosinase is the central enzyme involved in the highly complex process of melanin formation, catalyzing the rate-limiting steps of this biosynthetic pathway. Due to such a preponderant role, it has become a major target in the treatment of undesired...
Grazing incidence small- and wide-angle X-ray scattering (GISAXS, GIWAXS) has been widely applied for the study of functional thin films, be it for the characterization of nanostructured morphologies in block copolymers, nanocomposites, and nanoparti...
In this study, a non-nucleated homopolymer (HP) and random copolymer (RACO), as well as a nucleated HP and heterophasic copolymer (HECO) were investigated regarding their crystallization kinetics. Using pvT-measurements and fast scanning chip calorim...
Most early-stage drug discovery projects focus on equilibrium binding affinity to the target alongside selectivity and other pharmaceutical properties. Since many approved drugs have nonequilibrium binding characteristics, there has been increasing i...
Pharmaceuticals in waters represent a worldwide problem of today. Advanced oxidation processes (AOPs) are being researched for elimination of the ecological hazard. Among the substances, the fluoroquinolone antibiotic lomefloxacin was selected for in...
Liquid–liquid phase transition (LLPT) is a transition from one liquid state to another with the same composition but distinct structural change, which provides an opportunity to explore the relationships between structural transformation and th...
The aim of this work was to advance knowledge on the potential use of black rice different sieving fractions for various functional applications, through proximate analysis, thermal degradation kinetics of phytochemical and characterization of the th...
This paper presents the results of investigations on the kinetic modeling of Brilliant Blue FCF (BB) discoloration reactions in aqueous solutions with different ozone concentrations and pH conditions. Kinetic studies involve knowledge of the structur...
The solar updraft tower (SUT) is a renewable power generation system that uses the natural convection phenomenon of the ground’s air heated by solar radiation. The baffle is a thermo-fluid dynamic structure that improves the heat exchange effic...
The control of crystal form in chiral active pharmaceutical ingredients (APIs) is a critical challenge in pharmaceutical development, as differences in solid-state structure can significantly influence physical properties and manufacturing performanc...
Molybdenum disulfide (MoS2) is a promising earth-abundant electrocatalyst for the hydrogen evolution reaction (HER), attributed to its favorable electronic structure and chemical stability. Nevertheless, its application is limited by poor electrical...
The vanadium redox flow battery (VRFB) has been regarded as one of the best potential stationary electrochemical storage systems for its design flexibility, long cycle life, high efficiency, and high safety; it is usually utilized to resolve the fluc...
Despite recent developments in protein structure prediction, the process of the structure formation, folding, remains poorly understood. Notably, folding of multidomain proteins, which involves multiple steps of segmental folding, is one of the bigge...
Understanding the underlying molecular interaction during a therapy switch from lopinavir (LPV) to darunavir (DRV) is essential to achieve long-term virological suppression. We investigated the kinetic and structural characteristics of multidrug-resi...
The article is devoted to the analysis of sorption kinetics, permeability, and diffusion of water vapor in porous polymeric membranes of different hydrophilicities and through-porosities. The water transport measurement with a constant gradient of pa...
Kinetics data such as ground reaction forces (GRFs) are commonly used as indicators for rehabilitation and sports performance; however, they are difficult to measure with convenient wearable devices. Therefore, researchers have attempted to estimate...
Background/Objectives: Thick-filament-based regulation in muscle is generally conceived as processes that modulate the number of myosin heads capable of force generation. It has been generally assumed that biochemical and structural assays of myosin...
Electrocatalytic water splitting, as a sustainable, pollution-free and convenient method of hydrogen production, has attracted the attention of researchers. However, due to the high reaction barrier and slow four-electron transfer process, it is nece...
The batch sorption process is used to remove various species from wastewater and can be optimised by selecting adequate process parameters and reactor geometry. As sorption is a heterogeneous process, achieving the desired process outcomes in a batch...
Topological optimization uses two main optimization conditions aimed at achieving the maximum stiffness at minimum weight of the loaded object, while not exceeding the allowable stress. This process naturally creates complex structures with varying d...
The first monomeric pyridoxal-5′-phosphate (PLP)-dependent transaminase from a marine, aromatic-compound-degrading, sulfate-reducing bacterium Desulfobacula toluolica Tol2, has been studied using structural, kinetic, and spectral methods. The m...
Ketonization is a promising way for upgrading bio-derived carboxylic acids from pyrolysis bio-oils, waste oils, and fats to produce high value-added chemicals and biofuels. Therefore, an understanding of its mechanism can help to carry out the cataly...
The differential effects of cellular and ultrastructural characteristics on the optical properties of adaxial and abaxial leaf surfaces in the genus Tradescantia highlight the intricate relationships between cellular arrangement and pigment distribut...
This study introduces a kinetic model that significantly improves the interpretation of the oxygen radical absorbance capacity (ORAC) assay. Our model accurately simulates and fits the bleaching kinetics of fluorescein in the presence of various anti...
Upregulated CXCR2 signalling is found in numerous inflammatory, autoimmune and neurodegenerative diseases, as well as in cancer. Consequently, CXCR2 antagonism is a promising therapeutic strategy for treatment of these disorders. We previously identi...
In order to explore the influence of the side duct position and venting position on the premixed combustion and explosion characteristics of methane/air, a premixed combustion and explosion experiment of methane/air and a simulation of an explosion o...
We present a macroscale constitutive model that couples magnetism with thermal, elastic, plastic, and damage effects in an Internal State Variable (ISV) theory. Previous constitutive models did not include an interdependence between the internal magn...
Causal states are minimal sufficient statistics of prediction of a stochastic process, their coding cost is called statistical complexity, and the implied causal structure yields a sense of the process’ “intrinsic computation”. We d...
Composite concrete structures, commonly found in urban infrastructures, such as highways and runways, are pivotal research object in the protection field. To study the dynamic response of composite concrete structures subjected to reactive jet penetr...
A basic summary of thermoelectric principles is presented in a historical context, following the evolution of the field from initial discovery to modern day high-zT materials. A specific focus is placed on nanocomposite materials as a means to solve...
A linear electrical generator can be used on wave energy converter for converting the kinetic energy of a floating structure to the electricity. A wave farm consists of multiple wave energy converters which equipped in a sea area. In the present pape...
Pharmaceuticals are found in waterbodies worldwide. Conventional sewage treatment plants are often not able to eliminate these micropollutants. Hence, Advanced Oxidation Processes (AOPs) have been heavily investigated. Here, metoprolol is exposed to...
The seal is designed to reduce leakage and improve the efficiency of gas turbine machines, and is an important technology that needs to be studied in gas turbine design. A series of seals were proposed to try to achieve this goal. However, due to the...
In this paper, the quartz crystal microbalance with dissipation monitoring (QCM-D) was used to investigate hydrophobicity and binding strength (KD) for 10 different drugs interacting with human serum albumin (HSA). Quantitative structure activity rel...
Mesoporous carbons based on silica hard templates were used to investigate physical processes in confined pores. Nitrogen adsorption, scanning electron microscopy, and scattered X-ray analyses revealed two classes of materials: carbons with moderate...
The widespread use of clay minerals and clays in environmental engineering, industry, medicine, and cosmetics largely stems from their adsorption properties and surface charge, as well as their ability to react with water. The dissolution and growth...
The basic theorem of isokinetic relationships is formulated as “if there exists a linear correlation “structure∼properties” at two temperatures, the point of their intersection will be a common point for the same correlation at other temperatures, un...
Interfacial atomic configuration plays a vital role in the structural stability and functionality of nanocomposites composed of metal nanoparticles (NPs) and two−dimensional semiconductors. In situ transmission electron microscope (TEM) provide...
Protein sequence, structure, and function are inherently linked through evolution and population genetics. Our knowledge of protein structure comes from solved structures in the Protein Data Bank (PDB), our knowledge of sequence through sequences fou...
An innovative and informed methodology for the rational design and testing of anti-knock additives is reported. Interaction of the additives with OH● and HO2● is identified as the key reaction pathway by which non-metallic anti-knock additives are pr...
The behavior of electrons in general many-electronic systems throughout the density functionals of energy is reviewed. The basic physico-chemical concepts of density functional theory are employed to highlight the energy role in chemical structure wh...
Cyclodextrin-based nanosponges (CDNSs) are complex macromolecular structures composed of individual cyclodextrins (CDs) and nanochannels created between cross-linked CD units and cross-linkers. Due to their unique structural and physicochemical prope...
The accurate calculation of natural frequencies is important for vibration and earthquake analyses of structural frames. For this purpose, it is necessary to discretize each beam or column of the frame into one or more smaller elements. The required...
On the basis of binary perfectly inelastic collision theory, the time evolutions of kinetic energy and surface area for a particle agglomerate system, due to Brownian motion, are investigated by using the Taylor series expansion technology. The asymp...
Accompanied by the formation of pearlite, Widmanstätten ferrite (WF), grain boundary ferrite and cementite are often found to nucleate at the prior austenite grain boundary during isothermal heat treatment. A hypereutectoid pearlitic steel trans...
Nowadays, the problem of the model’s applicability domain (AD) definition is an active research topic in chemoinformatics. Although many various AD definitions for the models predicting properties of molecules (Quantitative Structure-Activity/Propert...
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