Chemical waves in reaction-diffusion networks of small organic molecules.

Chemical waves represent one of the fundamental behaviors that emerge in nonlinear, out-of-equilibrium chemical systems. They also play a central role in regulating behaviors and development of biological organisms. Nevertheless, understanding their properties and achieving their rational synthesis remains challenging.

Model and Method for Providing Resilience to Resource-Constrained AI-System.

Artificial intelligence technologies are becoming increasingly prevalent in resource-constrained, safety-critical embedded systems. Numerous methods exist to enhance the resilience of AI systems against disruptive influences. However, when resources are limited, ensuring cost-effective resilience becomes crucial.

Altering the structures of 3D supramolecular assemblies from melamine and cyanuric acid derivatives in water.

Herein, we obtained two supramolecular assemblies with layered structures from melamine, -methylmelamine, and hexynyl-cyanuric acid in water. By combination of X-ray diffraction, electron microscopy, and molecular dynamics studies, we found that introducing one methyl group in melamine alters the arrangement of the layers in these structures.

Selenium catalysis enables negative feedback organic oscillators.

The construction of materials regulated by chemical reaction networks requires regulatory motifs that can be stacked together into systems with desired properties. Multiple autocatalytic reactions producing thiols are known. However, negative feedback loop motifs are unavailable for thiol chemistry.

Phonon thermophoresis of crystalline nanoparticles in liquids.

Our nonequilibrium thermodynamic model of thermodiffusion in molecular liquid systems is used to examine the role of thermal phonons in the thermophoresis of liquid suspensions of crystalline nanoparticles, which tend to have high thermal conductivity. The Soret coefficient used to characterize stationary thermodiffusion is related to differences in entropy between a particle and the body of liquid that it displaces. Calculated phonon Soret coefficients for graphite and diamond nanoparticles in three polar solvents are used to establish parameters where the phonon mechanism is expected to dominate particle thermophoresis compared to slip-flow caused by forces induced in the surface layer by the temperature gradient.

Electromagnetic tomographic cerebral angiography.

World Health Organization stated that "Cardiovascular diseases (CVDs) are the leading cause of death globally. Angiography is an important method in diagnostic of CVD. Standard-of-Care methods of angiography, such as X-Ray or CT- or MRI- angiography methods, being accurate and widely adopted in clinical practice, are bulky, expensive and energy in-efficient.

Detection of antibodies to the hepatitis E virus in domestic reindeer () in the Republic of Sakha (Yakutia).

Introduction: Although domestic pigs and wild boars are the main reservoir of zoonotic hepatitis E virus (HEV) genotypes in temperate countries, the presence of antibodies to HEV (anti-HEV) in the indigenous population of circumpolar territories, i.e. outside the habitat of wild and domestic pigs, indicates the presence of an alternative reservoir of the virus.

Epigenetics of the far northern Yakutian population.

Background: Yakuts are one of the indigenous populations of the subarctic and arctic territories of Siberia characterized by a continental subarctic climate with severe winters, with the regular January average temperature in the regional capital city of Yakutsk dipping below - 40 °C. The epigenetic mechanisms of adaptation to such ecologies and environments and, in particular, epigenetic age acceleration in the local population have not been studied before.

Results: This work reports the first epigenetic study of the Yakutian population using whole-blood DNA methylation data, supplemented with the comparison to the residents of Central Russia.

Highly Hydroxylated Buckminsterfullerene Complexes with an Endohedral Iodide Anion.

The properties of the complexes I@C(OH) and I@C(OH) have been determined using the quantum chemical DFT PBE0 method to assess the possibility of synthesis of highly hydroxylated fullerene -iodides for the use in radiotherapy of different organs. The arrangement of the hydroxyl groups corresponds to the location of halogen atoms in ()-CF and ()-CCl. Negative-charged iodine is localized in the center of the fullerene cavity and has no significant influence on the IR spectra of hydroxylated fullerenes.

Kinematic running resistance of an urban rail vehicle undercarriage: a study of the impact of wheel design.

Urban railway vehicles are important means of transport in towns and cities due to their high capacity, power source, and low running resistance, which make them efficient for operation. Although these properties are considered advantages, there is still room for improvement in their operational efficiency. The main objective of this article is to investigate the impact of railway wheel design on the level of kinematic running resistance, which is expressed as the amount of mechanical energy losses during the interaction of wheels with rails.

Targeted MRM Quantification of Urinary Proteins in Chronic Kidney Disease Caused by Glomerulopathies.

Glomerulopathies with nephrotic syndrome that are resistant to therapy often progress to end-stage chronic kidney disease (CKD) and require timely and accurate diagnosis. Targeted quantitative urine proteome analysis by mass spectrometry (MS) with multiple-reaction monitoring (MRM) is a promising tool for early CKD diagnostics that could replace the invasive biopsy procedure. However, there are few studies regarding the development of highly multiplexed MRM assays for urine proteome analysis, and the two MRM assays for urine proteomics described so far demonstrate very low consistency.

Nonequilibrium thermodynamic model of thermoelectricity and thermodiffusion in semiconductors.

We present a self-consistent model rooted in nonequilibrium thermodynamics for defining concentration gradients in the electron/hole pairs and electric-field gradients in an intrinsic semiconductor created upon exposure to a temperature gradient. The model relies on the equation for entropy production expressed through phenomenological equations for the electron/hole flux, with the imposed condition that the resulting concentration profiles of the electrons and holes are identical. The chemical potentials of electrons, holes, and parent atoms of the lattice, which are contained in the flux equations, are calculated on the basis of the temperature-dependent equilibrium dissociation reaction: lattice atom ↔ electron + hole.

Stirring-Free Scalable Electrosynthesis Enabled by Alternating Current.

Alternating current (AC) electrolysis is receiving increased interest as a versatile tool for mild and selective electrochemical transformations. This work demonstrates that AC can enable the concept of a stirring-free electrochemical reactor where the periodic switch of electrode polarity, inherent to AC, provides uniform electrolysis across the whole volume of the reactor. Such design implies a straightforward approach for scaling up electrosynthesis.

Synthesis of Co-Ni Alloy Particles with the Structure of a Solid Substitution Solution by Precipitation in a Supercritical Carbon Dioxide.

Mixed Co-Ni bimetallic systems with the structure of a solid substitution solution have been synthesized using the supercritical antisolvent precipitation (SAS) method, which uses supercritical CO as an antisolvent. The systems obtained have been characterized in detail using X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), Fourier-transform infrared (FTIR) spectroscopy, and magnetostatic measurements. It has been found that Co-enriched systems have a defective hexagonal close-packed (hcp) structure, which was described by a model which embedded cubic fragments of packaging into a hexagonal close-packed (hcp) structure.

Hepatoprotective Activity of Lignin-Derived Polyphenols Dereplicated Using High-Resolution Mass Spectrometry, In Vivo Experiments, and Deep Learning.

Chronic liver diseases affect more than 1 billion people worldwide and represent one of the main public health issues. Nonalcoholic fatty liver disease (NAFLD) accounts for the majority of mortal cases, while there is no currently approved therapeutics for its treatment. One of the prospective approaches to NAFLD therapy is to use a mixture of natural compounds.

Nonequilibrium thermodynamic material transport equations for thermodiffusion of isotopes and isomers in multicomponent systems.

We extend our nonequilibrium thermodynamic model of thermodiffusion in binary systems to multi-component mixtures. The fundamental parameter is the difference in molecular entropy of the components, which can be obtained in one of three ways; (i) derived as temperature derivatives of the respective equilibrium chemical potentials at constant pressure using equilibrium statistical mechanics; (ii) obtained in the literature from computer simulations; or (iii) obtained as empirical values in the literature. The model is used to relate thermodiffusion in multicomponent mixtures of related isomers or isotopes to isomer/isotope effects in binary mixtures that are commonly enumerated in one of two ways: (i) as a difference in the Soret coefficients measured on two binary mixtures, each containing one of two related isomers/isotope in a common solvent; or (ii) as this difference from two binary mixtures, each consisting of a common solute dissolved in one of the two related isomers/isotopes as the solvent.

Prognosis of Alzheimer's Disease Using Quantitative Mass Spectrometry of Human Blood Plasma Proteins and Machine Learning.

Early recognition of the risk of Alzheimer's disease (AD) onset is a global challenge that requires the development of reliable and affordable screening methods for wide-scale application. Proteomic studies of blood plasma are of particular relevance; however, the currently proposed differentiating markers are poorly consistent. The targeted quantitative multiple reaction monitoring (MRM) assay of the reported candidate biomarkers (CBs) can contribute to the creation of a consistent marker panel.

Statistical Mechanic and Phenomenological Approaches to Isomeric Effects in Thermodiffusion.

We present a model that explains variance in the thermodiffusion of hydrocarbon isomers in binary liquid mixtures. The model relies on material transport equations for binary nonisothermal liquid systems that were derived through a nonequilibrium thermodynamic approach in a previous work, coupled with one of two methods: (i) use of equilibrium chemical potentials for each component under conditions of constant pressure, derived using statistical mechanics or (ii) use of the temperature derivative of chemical potential expressed phenomenologically as molecular entropy. The model is evaluated using Soret coefficients () measured in binary solutions of heptane isomers in benzene.

Comparing Colon Capsule Endoscopy to colonoscopy; a symptomatic patient's perspective.

Background: Colon Capsule Endoscopy (CCE) has proven efficacy in a variety of gastrointestinal diseases. Few studies have assessed patient-reported outcomes and preference between colonoscopy and CCE.

Methods: Patients from our centre who had both a CCE and colonoscopy within a 12-month period were identified.

Spatiotemporal Regulation of Hydrogel Actuators by Autocatalytic Reaction Networks.

Regulating hydrogel actuators with chemical reaction networks is instrumental for constructing life-inspired smart materials. Herein, hydrogel actuators are engineered that are regulated by the autocatalytic front of thiols. The actuators consist of two layers.