127 Results Found

Accumulated evidence suggests that binding kinetic properties—especially dissociation rate constant or drug-target residence time—are crucial factors affecting drug potency. However, quantitative prediction of kinetic properties has alway...

Dissociation processes of gas hydrate-bearing sediment particles in water flow condition were investigated. Experiments were carried out by observing a spherical CO₂ hydrate-bearing sediment (CHBS) particle settling in water. The release process of g...

The rate constants of elementary processes in the atom–diatom system $\mathrm{O}{(}^{3}P)+{\mathrm{H}}_2\left(v\right)$, including the processes of vibrational relaxation and dissociation, were studied using the quasiclassical trajectory method. All calculations were carried out alo...

The binding affinity of ligands for their receptors is determined by their kinetic and thermodynamic binding properties. Kinetic analyses of the rate constants of association and dissociation (k_on and k_off, respectively) of antihistamines have sugges...

Spinocerebellar ataxia type 3 (SCA3) is caused by the expansion of a glutamine repeat in the protein ataxin-3, which is deposited as intracellular aggregates in affected brain regions. Despite the controversial role of ataxin-3 amyloid structures in...

The recent developments in the delivery and design of transcription factors put their therapeutic applications within reach, exemplified by cell replacement, cancer differentiation and T-cell based cancer therapies. The success of such applications d...

Eukaryotic actin filaments play a central role in numerous cellular functions, with each function relying on the interaction of actin filaments with specific actin-binding proteins. Understanding the mechanisms that regulate these interactions is key...

With the advancement of new synthetic techniques, 5-Methyl-2-ethylfuran (5-MEF) has emerged as a promising renewable biofuel. In this study, the potential energy surfaces for the unimolecular dissociation reaction, H-addition reaction, and H-abstract...

Gas hydrate plugs in petroleum fluid pipelines are a major flow assurance problem and thus, it is important for industry to have reliable mathematical models for estimating the time required to dissociate a hydrate pipeline plug. The existing mathema...

The research of the formation mechanism of iron carbides is significant to design the high-performance catalysts for the Fischer–Tropsch synthesis (FTS) process. In this paper, the effect of potassium promoter on the formation of atomic carbon...

Cytochrome c (Cc) underwent accelerated evolution from the stem of the anthropoid primates to humans. Of the 11 amino acid changes that occurred from horse Cc to human Cc, five were at Cc residues near the binding site of the Cc:CcO complex. Single-p...

DNA helicase unwinding activity can be inhibited by small molecules and by covalently bound DNA lesions. Little is known about the relationships between the structural features of DNA lesions and their impact on unwinding rates and processivities. Em...

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...

Surface Plasmon Resonance (SPR) technology is known to be a powerful tool for studying biomolecular interactions because it offers real-time and label-free multiparameter analysis with high sensitivity. This article summarizes the results that have b...

The development of methane hydrate extraction technology remains constrained due to the limited physical understanding of hydrate dissociation dynamics. While recent breakthroughs in pore-scale visualization techniques offer intuitive insights into t...

We report two macrocyclic ligands based on a 1,7-diaza-12-crown-4 platform functionalized with acetate (tO2DO2A²⁻) or piperidineacetamide (tO2DO2AM^Pip) pendant arms and a detailed characterization of the corresponding Mn(II) complexes. The X−ray stru...

Formation and dissociation of pore gas hydrates in permafrost can change its properties, including fluid flow capacity. Permeability is one of the most significant parameters in the study of hydrate-containing rocks, especially in the case of gas bur...

Quantitative biomacromolecular diagnosis is rapidly developing in molecular oncology. In this study, we developed a continuous flow immunoassay device based on a piezoelectric (PZ) quartz crystal biosensor fabricated with whole-electrode occupation f...

The dissociation of an ammonia molecule on a cluster of Si atoms simulating the 100 silicon crystal structure with two Si dimers has been investigated by means of the DFT and an approximate instanton methods. The model corresponds to the low coverage...

Based on the available measurement data and literature on the hydrate deposits of the South China Sea, a numerical simulation with a new dual horizontal well system has been carried out. Warm brine stimulation combined with depressurization is employ...

SARS-CoV-2 vaccines provide strong protection against COVID-19. However, the emergence of SARS-CoV-2 variants has raised concerns about the efficacy of vaccines. In this study, we investigated the interactions of specific polyclonal human antibodies...

In this study, the full reaction mechanism for N₂O hydrogenation on silver doped Au(210) surfaces was investigated in order to clarify the experimental observations. Density functional theory (DFT) calculations were used to state the most favorable r...

Since 1980, one of the most promising solutions for the exploitation of natural gas hydrate reservoirs was found to be the replacement of methane with carbon dioxide in order to improve the efficiency of methane recovery and, at the same time, perman...

The photodissociation dynamics of CF₂BrCF₂I in CCl₄ at 280 ± 2 K were investigated by probing the C−F stretching mode from 300 fs to 10 μs after excitation at 267 nm using time-resolved infrared spectroscopy. The excitation led to the...

(1) Background: The folate receptor (FR) is a target for cancer treatment and detection. Expression of the FR is restricted in normal cells but overexpressed in many types of tumors. Folate was conjugated with peptides for enhancing binding affinity...

To elucidate the relative nucleation rates of different polymorphs, a competitive kinetic model is developed based on classical nucleation theory to describe the time evolution of two different polymorphic cluster size distributions controlled by the...

The effect of carbon monoxide (CO) co-adsorption on the dissociation of water on the Ni(111) surface has been studied using density functional theory. The structures of the adsorbed water molecule and of the transition state are changed by the presen...

The potassium affinities of Na,K-ATPase isozymes are important determinants of their physiological roles in skeletal muscle. This study measured the apparent K⁺ and Rb⁺ affinities of the Na,K-ATPase α₁ and α₂ isozymes in intact, dissociat...

Heterotetramerization of Kv1.1 and Kv1.2 α-subunits expands the functional diversity of voltage-gated potassium Kv1 channels in the central nervous system (CNS), thus necessitating the study of the properties of these heterochannels, including...

The thermodynamic, kinetic, and structural properties of Ln³⁺ complexes with the bifunctional DO3A-ACE⁴⁻ ligand and its amide derivative DO3A-BACE⁴⁻ (modelling the case where DO3A-ACE⁴⁻ ligand binds to vector molecules) have been studied in order to...

This paper presents the results of the study on the course of the benzyl chloride (BzCl) ionization process in a drift tube ion mobility spectrometer (DT IMS) in which nitrogen was used as the carrier gas. BzCl ionization follows the dissociative ele...

The Wnt signalling pathway plays an important role in cell proliferation, differentiation, and fate decisions in embryonic development and the maintenance of adult tissues. The twelve armadillo (ARM) repeat-containing protein β-catenin acts as the si...

The recently identified nonsymbiotic hemoglobin gene MtGlb1-2 of the legume Medicago truncatula possesses unique properties as it generates four alternative splice forms encoding proteins with one or two heme domains. Here we investigate the ligand b...

Using dynamic liquid-state NMR spectroscopy a degenerate double proton tautomerism was detected in tetramethyl reductic acid (TMRA) dissolved in toluene-d₈ and in CD₂Cl₂. Similar to vitamin C, TMRA belongs to the class of reductones of biologically i...

The article presents the results of an experimental comparison of methane transport in the pore structure of a membrane catalyst under isothermal and non-isothermal Knudsen diffusion conditions. It is shown that under the conditions of non-isothermal...

Salt migration may be another reason why pore-gas hydrates dissociate in permafrost, besides pressure and temperature changes. Temperature variations in frozen hydrate-saturated sediments interacting with a NaCl solution have been studied experimenta...

Various processes based on atomic layer deposition (ALD) have been reported for growing Ti-based thin films such as TiN and TiO₂. To improve the uniformity and conformity of thin films grown via ALD, fundamental understanding of the precursor–s...

This article presents an analysis of kinetic studies of dry methane reforming (DRM) in a reactor with a membrane catalyst (RMC) in the modes of a contactor with “diffusion” and “forced” mass transfer. Comparison of the specifi...

Transforming growth factor β1 (TGF-β1) is critical to cell differentiation, proliferation, and apoptosis. It is important to understand the binding affinity between TGF-β1 and its receptors. In this study, their binding force was measu...

Telomerases are moderately processive reverse transcriptases that use an integral RNA template to extend the 3′ end of linear chromosomes. Processivity values, defined as the probability of extension rather than dissociation, range from about 0...

κ-Conotoxin-PVIIA (κ-PVIIA) is a potassium-channel blocking peptide from the venom of the fish-hunting snail, Conus purpurascens, which is essential for quick prey’s excitotoxic immobilization. Binding of one κ-PVIIA to Shaker...

Salmonella Typhimurium is one of the leading causes of foodborne diseases worldwide. Biosensors and immunoassays utilizing monoclonal antibodies are widely used for the detection and subtyping of S. Typhimurium. However, due to insufficient informati...

Microfluidic DNA biochips capable of detecting specific DNA sequences are useful in medical diagnostics, drug discovery, food safety monitoring and agriculture. They are used as miniaturized platforms for analysis of nucleic acids-based biomarkers. B...

Engineered nanoparticles (NPs) have the potential to revolutionize disease diagnostics and treatment. However, NP interactions with proteins in biological fluids complicate their in vivo control. These interactions often lead to the formation of prot...

Noonan syndrome (NS) is a genetic disorder caused by the hyperactivation of the RAS-MAPK molecular pathway. About 50% of NS cases are caused by mutations affecting the SHP2 protein, a multi-domain phosphatase with a fundamental role in the regulation...

Lithium phosphorus-oxynitride (LiPON) films were deposited by the method of anodic evaporation of Li₃PO₄ in the nitrogen plasma of a low-pressure arc. A method for adjusting the degree of decomposition of vapors is proposed based on a change in the f...

Dinitrosyl iron complexes (DNICs) are the most abundant nitric oxide (NO) metabolites in NO-producing cells and can be used as a platform for photochemical vehicles for NO donors. However, not much is known about the photochemical dynamics of DNICs....

An analysis was carried out on the thermal dissociation of selected inorganic salts according to Transition-State Theory (TST). For this purpose, two possibilities were compared in the context of rate constants: in the first case using the Arrhenius...

O₂ adsorption is a key process for further understanding the mechanism of selective CO oxidation (SCO) on gold catalysts. Rate constants related to the elementary steps of O₂ adsorption, desorption and surface bonding, as well as the respective activ...

In the present work, we performed calculations of the kinetic isotope effect (KIE) on H/D, ¹⁴N/¹⁵N, ¹⁶O/¹⁸O, and ¹²C/¹³C isotopic substitution in the dissociation of beta-sheet polyglycine dimers of different lengths into two monomer chains. This dis...