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Chemistry Research

09:21 EST 22nd January 2019 | BioPortfolio

Importance of sludge conditioning in attenuating antibiotic resistance: Removal of antibiotic resistance genes by bioleaching and chemical conditioning with FeIII/CaO.

Conditioning can drastically improve the dewaterability of sewage sludge and thus it is widely practiced in most wastewater treatment plants (WWTPs). In WWTPs, various antibiotic resistance genes (ARGs) present in sewage are concentrated in the sewage sludge, but the effect of sludge conditioning on ARGs in sewage sludge remains unclear. Here, we evaluated and compared the effectiveness of four sl...

Perspective in Medicinal Chemistry.

Current Achievements in the Mechanically Pretreated Conversion of Plant Biomass.

At the present time, "mechanochemistry" is synonymous with "grinding" according with views of significant part of scientists and technologists. Often one has to come across the opinion that "the less the particle size, the better." The cases of considering chemical reactions occurring during pretreatment, as well as considering changes in the ultrastructure of cell walls are extremely rare. Also, ...

Intramolecular hydrogen bonding: An opportunity for improved design in medicinal chemistry.

Recent literature shows that intramolecular hydrogen bond (IMHB) formation can positively impact upon the triad of permeability, solubility, and potency of drugs and candidates. IMHB modulation can be applied to compounds in any chemical space as a means for discovering drug candidates with both acceptable potency and absorption, distribution, metabolism, and excretion-Tox profiles. Integrating IM...

Tuning the Reactivities of the Heteronuclear AlnV3-nO7-n+ (n = 1, 2) Cluster Oxides towards Methane by Varying the Composition of the Metal Centers.

The thermal gas-phase reactions of [Al₂VO₅]+ and [AlV₂O₆]+ with methane have been explored by using FT-ICR mass spectrometry complemented by high-level quantum chemical calculations. Both cluster ions chemisorb methane as the major reaction channels at room temperature. While [Al₂VO₅]+ can break only one C-H bond to liberate CH₃, [AlV₂O₆]+ exhibits higher oxidizing ability such t...

Methylmercury's chemistry: from the environment to the mammalian brain.

Methylmercury is a neurotoxicant that is found in fish and rice. MeHg's toxicity is mediated by blockage of -SH and -SeH groups of proteins. However, the identification of MeHg's targets is elusive. Here we focus on the chemistry of MeHg in the abiotic and biotic environment. The toxicological chemistry of MeHg is complex in metazoans, but at the atomic level it can be explained by exchange reacti...

Editorial for Special Issue: "Pharmacology & Medicinal Chemistry of Nitric Oxide".

Chemical Radiosensitizers: The Journal History.

To review the Journal's coverage of chemical radiosensitizers.

Probing the gas-phase structure of charge-tagged intermediates of a proline catalyzed aldol reaction - vibrational spectroscopy distinguishes oxazolidinone from enamine species.

An l-proline based catalyst with a charged phenyl-pyridium substituent (1) was used to analyze intermediates of an organocatalyzed aldol reaction by infrared multi-photon dissociation (IRMPD) mass spectrometry after transfer into the gas phase via electrospray ionization (ESI). IRMPD spectra were interpreted with the aid of density functional theory (DFT) computations. A structurally restricted en...

A novel hydrogenated boron-carbon monolayer with high stability and promising carrier mobility.

Although immense research on the extension of the two-dimensional (2D) material family has been carried out, 2D materials with a satisfactory band gap, high carrier mobility, and outstanding thermodynamic stability under ambient conditions are still limited. In this work, using first principles calculations, we proposed new 2D ternary materials consisting of C, B, and H atoms, namely hexagonal-BCH...

Water absorption by deep eutectic solvents.

Deep eutectic solvents (DESs) are one type of green solvents. Most of the DESs could absorb water from air. However, even a trace amount of water can affect the chemical structure and physical properties of DESs. To date, no study has been reported on the hygroscopicity of DESs. Consequently, in this study, a comprehensive investigation was performed on the capacity, kinetics, mechanism, and furth...

Self-assembled structure and dynamics of imidazolium-based protic salts in water solution.

Protic ionic liquids containing cations with long alkyl chains can form self-assembled micelles, vesicles, microemulsions, and lyotropic liquid crystal structures in water, acid water or tetrahydrofuran, etc. As a result of this unique property, they are regarded as a novel category of amphiphiles, and are gaining importance in the field of colloid and interface chemistry. The critical micelle con...

Structural organization and phase behaviour of meta-substituted dioctadecylaminobenzoquinones at the air/water interface.

The structural organization and phase behaviour of an amphiphilic zwitterionic quinonemonoimine at the air/water interface are presented. Brewster angle microscopy reveals multiple co-existing phases are observed over the entire isotherm while grazing incidence X-ray diffraction (GIXD) shows that these comprise both tilted, untilted and multilayer structures with crystalline headgroups. Despite th...

Electron-induced chemistry of surface-grown coordination polymers with different linker anions.

Electron beam processing of surface-grown coordination polymers is a versatile approach to the fabrication of nanoscale surface structures. Depending on their molecular components, these materials can be converted into pure metallic particles or they can be activated to become a template for the spatially selective decomposition of suitable gaseous precursor molecules and subsequent autocatalytic ...

Role of Bile in Infectious Disease: the Gall of 7α-Dehydroxylating Gut Bacteria.

Local antibiotics and quorum sensors produced by gut bacteria regulate microbiota community structure and guard against pathogens. In this issue of Cell Chemical Biology, Kang et al. (2019) guide us through a reciprocal host-antimicrobial interplay that redefines our understanding of Clostridioides (Clostridium) difficile pathogenesis.

Probing Substrate Preferences of Depalmitoylases.

Depalmitoylases play a crucial role in regulating dynamic protein palmitoylation. In this issue of Cell Chemical Biology, Amara et al. (2019) present fluorogenic peptide probes to analyze the activity and substrate specificity of depalmitoylases and uncover that the amino acid residues distal to the palmitoylation site could regulate depalmitoylases activities.

Encounter and React: Computer-Guided Design of Covalent Inhibitors.

Covalent inhibitors can obtain optimal selectivity and extended residence time. In this issue of Cell Chemical Biology, Shraga et al. (2019) take a comprehensive computational and experimental approach to modulate the JNK-Jun pathway through design of MKK7 covalent inhibitors. This study highlights a promising and emerging strategy for therapeutic discovery.

Mechanical, chemical and antimicrobial properties of a bisphenol A-free pit-and-fissure sealant.

To evaluate, in vitro, mechanical, chemical and antimicrobial properties of Embrace Wetbond bisphenol A (BPA)-free pit-and-fissure sealant.

Chemoinformatic Consideration of Novel Psychoactive Substances: Compilation and Preliminary Analysis of a Categorised Dataset.

Recent years have seen the emergence into circulation of a growing array of novel psychoactive substances (NPS). Knowledge of the pharmacological profiles and risk liability of these compounds is typically very scarce. Development of chemoinformatic tools enabling prediction of properties within uncharacterised analogues has potential be of particular use. In order to facilitate this, compilation ...

Wedtrilosides A and B, two new diterpenoid glycosides from the leaves of Wedelia trilobata (L.) Hitchc. with α-amylase and α-glucosidase inhibitory activities.

In the ongoing research to find new diabetes constituents from the genus Wedelia, the chemical constituent of Wedelia trilobata leaves, a Vietnamese medicinal plant species used to treat type 2 diabetes mellitus, was selected for detailed investigation. From a methanolic extract, two new ent-kaurane diterpenoids, wedtrilosides A and B (1 and 2), along with five known metabolites (3-7), were isolat...

Isobaric multiplex labeling reagents for carbonyl containing compound (SUGAR): a probe for quantitative glycomic analysis.

Glycans are highly complex entities with multiple building units and different degrees of branched polymerization. Intensive research efforts have been directed to mass spectrometry (MS)-based qualitative and quantitative glycomic analysis due to important functions of glycans. Among various strategies, isobaric labeling has become popular because of its higher multiplexing capacity. Over the past...

Structural, Chemical, Electrical, and Thermal Properties of n-Type NbFeSb.

We report on the structural, chemical, electrical, and thermal properties of n-type polycrystalline NbFeSb synthesized by induction melting of the elements. Although several studies on p-type conduction of this half-Heusler composition have recently been reported, including reports of relatively high thermoelectric properties, very little has been reported on the transport properties of  n-type c...

Thermo-promoted Reactions of Anthranils with Carboxylic Acids, Amines, Phenols and Malononitrile under Catalyst-free Conditions.

A convenient and atom-economical procedure for the thermo-promoted reactions of anthranil with different substrates was developed. The catalyst-free process affords various useful building blocks with good to moderate yields. This chemistry enables several step- and cost-effective approaches for biologically interesting molecules and provides an efficient platform for the investigation of untapped...

Doping of Monolayer Transition Metal Dichalcogenides via Physisorption of Aromatic Solvent Molecules.

Two-dimensional (2D) transition metal dichalcogenides (TMDs) recently emerged as novel materials displaying a wide variety of physico-chemical properties that render them unique scaffolds for high-performance (opto)electronics. The controlled physisorption of molecules on the TMD surface is a viable approach to tune their optical and electronic properties. Solvents, made of small aromatic molecule...

Determination of absorption dose in chemical mutagenesis in plants.

Chemical mutagenesis is a useful tool for inducing mutations in plants. Seeds are often used as the material for chemical mutagenesis. The biological effect of a chemical mutagen on seeds is determined by absorption dose (the product of mutagen concentration and acting time, which starts after the mutagen is absorbed by the seeds). In practice, however, the concept of exposure dose (the product of...

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