Synergistic effects between different bases can greatly enhance atmospheric sulfuric acid (SA)-base cluster formation. However, only the synergy between two base components has previously been investigated. Here, we extend this concept to three bases...
The impact of organic species which are present in the Earth’s atmosphere on the burst of new particles is critically important for the understanding of the molecular nature of atmospheric nucleation phenomena. Amines have recently been proposed as p...
The role of an oxidation product of trimethylamine, trimethylamine oxide, in atmospheric particle formation is studied using quantum chemical methods and cluster formation simulations. Molecular-level cluster formation mechanisms are resolved, and th...
Nitrogen oxides and chemi-ions are atmospheric pollutants with considerable aeronomic interest. These toxicants can react with each other, producing various ionic species and highly reactive by-products that play a crucial role in aerosol clustering...
Criegee intermediates (CIs) are important in the sink of many atmospheric substances, including alcohols, organic acids, amines, etc. In this work, the density functional theory (DFT) method was used to calculate the energy barriers for the reactions...
This work presents theoretical studies of the interaction of molecules of several gaseous pollutants with polyacrylonitrile (PAN) surface in the presence of a water and/or oxygen molecule. For this purpose, a PAN cluster model has been proposed by th...
Halide clusters have not been used as catalysts. Hexanuclear molecular halide clusters of niobium, tantalum, molybdenum, and tungsten possessing an octahedral metal framework are chosen as catalyst precursors. The prepared clusters have no metal–meta...
Theoretical chemists have been actively engaged for some time in processes such as ozone photodissociation, overtone photodissociation in nitric acid, pernitric acid, sulphuric acid, clusters and in small organic acids. The last of these have shown v...
The effect of crystal seeds on calcium carbonate (CaCO3) cluster formation in aqueous solution is of interest in the fields of geochemistry, inorganic chemistry, atmospheric science, biomedicine, biomineralization, and tissue engineering. Due to an i...
Nitrogen–fixing bacteria execute biological nitrogen fixation through nitrogenase, converting inert dinitrogen (N2) in the atmosphere into bioavailable nitrogen. Elaborating the molecular mechanisms of orderly and efficient biological nitrogen...
Surface atomic arrangement and physical properties of aluminum ultrathin layers on c-Si(111)-7 × 7 and hydrogen-terminated c-Si(111)-1 × 1 surfaces deposited using molecular beam epitaxy were investigated. X-ray photoelectron spectroscopy...
A strong and fast-moving electrical storm occurred in the Southwest Florida region overnight, from 01:00 UTC on 17 April to 07:00 UTC on 17 April 2023. Video recordings were conducted in the region at Latitude N 26.34° and Longitude W 81.79°...
Our work concerns the study of four candidate drug compounds of the terpenoid family, found as essential oil ingredients in species of the Greek endemic flora, namely carvacrol, p-cymene, γ-terpinene, and thymol, via the simulation method of mo...
Human activities such as land management and global warming have great impact on the environment. Among changes associated with the global warming, rising methane emission is a serious concern. Therefore, we assessed methane oxidation activity and di...
Atmospheric organic aerosol (OA) affects air quality and human health. However, compared with urban areas, the chemical composition and temporal distribution of OA in rural regions are still not well understood. In this study, one-year atmospheric pa...
The interaction of polycyclic aromatic hydrocarbons (PAHs) with water is of paramount importance in atmospheric and astrophysical contexts. We report here a combined theoretical and experimental study of corannulene-water interactions in low temperat...
This study employs Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to investigate interactions between water molecules and Poly(N-isopropylacrylamide) (PNIPAM). DFT reveals preferential water binding sites, with enhanced bindi...
Upland soils of tundra function as a constant sink for atmospheric CH4 but the identity of methane oxidizers in these soils remains poorly understood. Methane uptake rates of −0.4 to −0.6 mg CH4-C m−2 day−1 were determined by...
Tropical wetlands are the major natural source of methane released into the atmosphere, producing about 60% of all natural emissions. The great wetland areas of the Amazon basin are the largest source of methane in this region, contributing an estima...
This review focuses on organotin compounds bearing hemicarbonate and carbonate ligands, and whose molecular structures have been previously resolved by single-crystal X-ray diffraction analysis. Most of them were isolated within the framework of stud...
Upland forest ecosystems are recognized as net sinks for atmospheric methane (CH4), one of the most impactful greenhouse gases. Biological methane uptake in these ecosystems occurs due to the activity of aerobic methanotrophic bacteria. Russia hosts...
Epigallocatechin-3-gallate (EGCG), the major catechin present in green tea, presents diverse appealing biological activities, such as antioxidative, anti-inflammatory, antimicrobial, and antiviral activities, among others. The present work evaluated...
Iron is an essential component for growth and development. Despite relative abundance in the environment, bioavailability of iron is limited due to oxidation by atmospheric oxygen into insoluble ferric iron. Filamentous fungi have developed diverse p...
Biofilms formed by multidrug-resistant bacteria are a major cause of hospital-acquired infections. Cold atmospheric-pressure plasma (CAP) is attractive for sterilization, especially to disrupt biofilms formed by multidrug-resistant bacteria. However,...
In actual atmospheric environments, Ni/Al composites subjected to high-velocity impact will undergo both intermetallic reaction and oxidative combustion simultaneously, and the coupling of mechanical and multiple chemical processes leads to extremely...
Soil degradation has been accelerating globally due to climate change, which threatens food production, biodiversity, and ecosystem balance. Traditional soil restoration strategies are often expensive, slow, or unsustainable in the long term. In this...
Per- and polyfluoroalkyl substances (PFASs) have attracted global attention due to their persistence and biological toxicity, becoming critical emerging contaminants in river and lake environments worldwide. Building upon existing studies, this work...
We examine the impact of changes in ozone (O3), particulate matter (PM2.5), temperature, and humidity on the health of vegetation in dense urban environments, using a very high-resolution, ground-based Visible and Near-Infrared (VNIR, 0.4–1.0 &...