Functionalization of Shirasu-balloons Surface for Removal of Cadmium Ions from Contaminated Soil.

Microspheres of aluminosilicate glass from volcanic sediment, whose surfaces were modified with functional groups, Shirasu-balloons (SB), were investigated as an adsorbent to remove cadmium ions from contaminated soil. The introduction of thiol groups (-SH) on the surface of SB enabled it to adsorb cadmium ions. Meanwhile, the introduction of an alkyl group (-ODS) made the surface of SB hydrophobic, and consequently increased the mechanical strength of SB.

Advanced identification of global bioactivity hotspots via screening of the metabolic fingerprint of entire ecosystems.

Natural products (NP) are a valuable drug resource. However, NP-inspired drug leads are declining, among other reasons due to high re-discovery rates. We developed a conceptual framework using the metabolic fingerprint of entire ecosystems (MeE) to facilitate the discovery of global bioactivity hotspots.

Extremophile Microalgae: the potential for biotechnological application.

Microalgae are photosynthetic microorganisms that use sunlight as an energy source, and convert water, carbon dioxide, and inorganic salts into algal biomass. The isolation and selection of microalgae, which allow one to obtain large amounts of biomass and valuable compounds, is a prerequisite for their successful industrial production. This work provides an overview of extremophile algae, where their ability to grow under harsh conditions and the corresponding accumulation of metabolites are addressed.

Mechanochemical immobilization of heavy metals in contaminated soils: A novel mathematical modeling of experimental outcomes.

Mechanochemical processing to immobilize heavy metals in contaminated soils has been proposed few years ago. The corresponding experimental results have shown that, under specific operating conditions, the mechanical energy provided by suitable ball mills, can greatly reduce heavy metals mobility without the addition of any reactant. Such results, together with the extreme simplicity of the proposed technique, are still very promising in view of its industrial transposition.

"On-off-on" detection of Fe and F, biological imaging, and its logic gate operation based on excitation-independent blue-fluorescent carbon dots.

A fluorescent nanoprobe based on carbon dots (CDs) has been facilely synthesized by a one-step hydrothermal pyrolysis of salicylic acid and utilized for the sequential detection of Fe and F in vitro. The fluorescence of CDs can be extinguished dramatically by Fe based on static quenching and subsequently recovery upon addition of F due to the formation of stabler FeF. The probe exhibits high selectivity and sensitivity toward Fe and F with a good linearity in the range of 10-300 μM and 0.

Ternary 12-electron CBeX (X = H, Li, Na, Cu, Ag) clusters: planar tetracoordinate carbons and superalkali cations.

Molecules with planar tetracoordinate carbons (ptCs) are exotic in chemical bonding, and they are normally designed according to the 18-electron rule. Here we report on the viability of ptC clusters with as few as 12 valence electrons, which represent the lower limit in terms of electron counting. Specifically, we have computationally designed a class of ternary 12-electron ptC clusters, CBe3X3+ (X = H, Li, Na, Cu, Ag), based on a rhombic CBe32- unit.

A novel graphene oxide-carbon nanotubes anchored α-FeOOH hybrid activated persulfate system for enhanced degradation of Orange II.

Persulfate activation has been applied as one of the efficient advanced oxidation processes (AOPs) to remediate polluted environments. In this study, a novel α-FeOOH anchored by graphene oxide (GO)-carbon nanotubes (CNTs) aerogel (α-FeOOH@GCA) nanocomposite activated persulfate system (α-FeOOH@GCA + KSO) was applied for decolorization of Orange II (OII). The decolorization of OII was remarkably enhanced to a level of ~99% in this system compared with that of pristine α-FeOOH (~44%) or GO-CNTs (~18%).

Inhomogeneity of sediment samples in analysis of hexabromocyclododecane.

The repeatability test of the analytical method for hexabromocyclododecane (HBCD) was conducted with sediment sample. The maximum HBCD concentration exceeded the minimum by a factor of 90 even though the identical sediment samples were used. Therefore, we examined which step of the analytical method was the factor causing variability.

Metabolomic modulations of HepG2 cells exposed to bisphenol analogues.

Bisphenol analogues including bisphenol A (BPA), bisphenol AF (BPAF), bisphenol F (BPF), and bisphenol S (BPS) share similar chemical structures and endocrine disrupting effects. Their effects on metabolisms, however, are so far only marginally understood. In this study, NMR-based metabonomic profiles of HepG2 cell culture media and PCR array were used to assess the metabolomics disturbances and gene expression levels of HepG2 in response to four BPs (BPA, BPAF, BPF, and BPS).

Altered microbiomes distinguish Alzheimer's disease from amnestic mild cognitive impairment and health in a Chinese cohort.

Objective: (Background): Alzheimer's disease (AD), clinically characterized by the progressive neurodegenerative condition and cognitive impairment, is one of the main causes of disability in elder people worldwide. Recently, several animal studies indicated that the 'gut-brain' axis might contribute to the amyloid deposition of AD. However, data about gut dysbiosis in human AD remains scarce in the literature, especially including the whole process of AD.

Ecological risk assessment of the increasing use of the neonicotinoid insecticides along the east coast of China.

In the past two decades, neonicotinoid insecticides have been widely used in agricultural activities in China. Many previous studies have investigated the neonicotinoid pollution in aquatic ecosystems, but the status of water safety of neonicotinoid uses in China is very scarce. The present study aims to reveal the spatial and temporal distribution of neonicotinoids in rivers, and then evaluate the ecological risks to aquatic animals.

Methoxy-Group Control of Helical Pitch in Stereoregular Poly(2-ethynylmethoxynaphthalene) Prepared by Rhodium Complex Catalyst.

The position of the methoxy group in a poly(-methoxy-2-ethynylnaphthalene) (PnMeO2EN) was found to control the helical pitch of the π-conjugated polymer in the solid state. These PnMeO2ENs were stereoregularly synthesized using an Rh-complex catalyst in ethanol or toluene as the solvent. The helical structure in the solid phase was confirmed by conventional analytical methods, namely diffuse reflective ultraviolet⁻visible light (UV⁻Vis) and Raman spectroscopies, X-ray diffraction, and C cross-polarization magic angle spinning NMR spectroscopy, together with molecular mechanics calculations, because the as obtained polymers were insoluble in common solvents.

Proposed Mechanism for the High-Yield Polymerization of Oxyethyl Propiolates with Rh Complex Catalyst Using the Density Functional Theory Method.

In this study, poly(oxyethyl propiolate)s (POP)s featuring various oxyethylene derivatives are synthesized using a [Rh(norbornadiene)Cl]₂ catalyst. In particular, POPs featuring the normal oxyethylene chain in the side-chain exhibit excellent yields and high molecular weights in methanol and ,-dimethylformamide at 40 °C, compared with poly(-alkyl propiolate)s (PAP)s. The high reactivity of the oxyethyl propiolate (OP) monomers is clarified by considering the time dependences of the polymerization yields of OPs and alkyl propiolates (Aps).

Consumption of drinking water N-Nitrosamines mixture alters gut microbiome and increases the obesity risk in young male rats.

N-nitrosamines (NAs) are an emerging group of disinfection by-products that occur as a mixture in drinking water. Although the potency of the individual NA components in drinking water is negligible, their combined effect is rarely reported. We tested whether multicomponent NAs mixtures at environmentally relevant levels would produce significant effects when each component was combined at extremely low concentrations i.

Resolution of the Ongoing Challenge of Estimating Nonpoint Source Neonicotinoid Pollution in the Yangtze River Basin Using a Modified Mass Balance Approach.

Neonicotinoid insecticides have been widely consumed worldwide, particularly in China. There is a growing interest in the environmental research community about the occurrence, fates, sources, and risks of neonicotinoids. Nine neonicotinoids in river/lake water were measured at 12 sites along the Yangtze River Basin during the dry and wet seasons in 2016, and nonpoint sources were also identified based on a modified mass balance method.

Carbon and hydrogen isotopic fractionation during abiotic hydrolysis and aerobic biodegradation of phthalate esters.

We systematically investigated the changes of carbon and hydrogen isotope signatures of three phthalate esters (PAEs) during (i) abiotic hydrolysis over the pH range of 2, 7 and 10, and (ii) aerobic biodegradation initiated by hydrolysis by Rhodococcus opacus strain DSM 43250. Significant carbon isotopic fractionation was exhibited under all investigated conditions. Hydrogen isotopic fractionation was observed in some experiments and is hypothesized to be a secondary isotope effect due to the absence of a hydrogen bond cleavage during hydrolysis.

Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein.

Protein-ligand interactions are a necessary prerequisite for signal transduction, immunoreaction, and gene regulation. Protein-ligand interaction studies are important for understanding the mechanisms of biological regulation, and they provide a theoretical basis for the design and discovery of new drug targets. In this study, we analyzed the molecular interactions of protein-ligand which was docked by AutoDock 4.

Highly luminescent N-doped carbon dots from black soya beans for free radical scavenging, Fe sensing and cellular imaging.

The novel N doped carbon dots (N-CDs) were readily fabricated through one-step pyrolysis method from black soya beans. The obtained N-CDs possessed excellent photoluminescence properties with quantum yield of 38.7 ± 0.

Association between indoor nitrous acid, outdoor nitrogen dioxide, and asthma attacks: results of a pilot study.

The association between nitrogen dioxide (NO) and asthma has been investigated. However, conventional NO assays measure nitrous acid (HONO) as NO. In this pilot epidemiological observational study, we assessed exposure to indoor HONO and some air pollutants in pediatric asthma patients and examined possible association between exposure and asthma symptoms.

Behavior of the extremophile green alga Coccomyxa melkonianii SCCA 048 in terms of lipids production and morphology at different pH values.

The extremophile green alga Coccomyxa melkonianii SCCA 048 was investigated to evaluate its ability to grow in culture media with different pH. Specifically, Coccomyxa melkonianii was sampled in the Rio Irvi river (Sardinia, Italy) which is severely polluted by heavy metals as a result of abandoned mining activities. In this study, the strain was cultivated in growth media where the pH was kept fixed at the values of 4.

Planar Pentacoordinate versus Tetracoordinate Carbons in Ternary CBeLi and CBeLi Clusters.

Planar hypercoordinate carbon molecules are exotic species, for which the 18-electron counting has been considered a rule. We report herein computational evidence of perfectly planar C CBeLi (1) and D CBeLi (3) clusters. These ternary species contain 16 and 18 electrons, respectively.

Random drift particle swarm optimisation algorithm for highly flexible protein-ligand docking.

Molecular docking has emerged as an important tool in drug design and development. Currently, there is a relatively large and ever-increasing number of molecular docking programs. However, despite the great advances in the docking technique over the last decade, most methods cannot be used to dock highly flexible ligands successfully.

Ambient air pollution of particles and gas pollutants, and the predicted health risks from long-term exposure to PM in Zhejiang province, China.

In recent years, ambient air has been severely contaminated by particulate matters (PMs) and some gas pollutants (nitrogen dioxide (NO) and sulfur dioxide (SO)) in China, and many studies have demonstrated that exposure to these pollutants can induce great adverse impacts on human health. The concentrations of the pollutants were much higher in winter than those in summer, and the average concentrations in this studied area were lower than those in northern China. In the comparison between high-resolution emission inventory and spatial distribution of PM, significant positive linear correlation was found.