singlet state filtered nuclear magnetic resonance: towards monitoring toxic responses inside living organisms.

In line with recent paradigm shifts in toxicity testing, nuclear magnetic resonance (NMR) is a powerful tool for studying the biological impacts and perturbations caused by toxicants in living organisms. However, despite the excellent molecular insights that can be obtained through this technique, NMR applications are hampered by considerable experimental challenges such as poor line shape and spectral overlap. Here, we demonstrate the application of singlet-filtered NMR to target specific metabolites and facilitate the study of metabolite fluxes in living , an aquatic keystone species and model organism.

Systematic laboratory approach to produce Mg-rich carbonates at low temperature.

Dolomite is a common Mg-rich carbonate in the geological record, but the mechanism of its formation remains unclear. At low temperature, the incorporation of magnesium ions into the carbonate minerals necessary to form dolomite is kinetically inhibited. Over the decades, several factors that possibly allow for overcoming this kinetic barrier have been proposed, and their effectiveness debated.

Immobilization strategies for porphyrin-based molecular catalysts for the electroreduction of CO.

The ever-growing level of carbon dioxide (CO) in our atmosphere, is at once a threat and an opportunity. The development of sustainable and cost-effective pathways to convert CO to value-added chemicals is central to reducing its atmospheric presence. Electrochemical CO reduction reactions (CORRs) driven by renewable electricity are among the most promising techniques to utilize this abundant resource; however, in order to reach a system viable for industrial implementation, continued improvements to the design of electrocatalysts is essential to improve the economic prospects of the technology.

Synergistic influence of mesoporous spinel nickel ferrite on the electrocatalytic activity of nano-structured palladium.

Structure and surface area are critical factors for catalysts in fuel cells. Hence, a spinel nickel ferrite mesoporous (SNFM) is prepared the solution combustion technique, an efficient and one-step synthesis. Dynamic X-ray analysis has clarified the structural properties of SNFM.

In vitro anticancer and antibacterial activates of the yttrium(III) complex and its nano-carriers toward DNA cleavage and biological interactions with DNA and BSA; An experimental and computational studie.

Objectives: In this research, the biological properties of the yttrium (III) (Y) complex, with 2,9-dimethyl- 1,10-phenanthroline (MePhen) ligand, were examined for in vitro fish DNA (FS-DNA)/ bovine serum albumin (BSA) interactions, DNA-cleavage, anticancer and antibacterial activities.

Methods: Multi-spectrophotometric techniques and computational calculations were used for the interaction studies of the BSA and FS-DNA with the Y-complex. Absorption and fluorescence spectroscopy methods were used to define thermodynamic parameters, the binding constants (K), and the probable binding mechanism.

Homogeneous and heterogeneous molecular catalysts for electrochemical reduction of carbon dioxide.

Carbon dioxide (CO) is a greenhouse gas whose presence in the atmosphere significantly contributes to climate change. Developing sustainable, cost-effective pathways to convert CO into higher value chemicals is essential to curb its atmospheric presence. Electrochemical CO reduction to value-added chemicals using molecular catalysis currently attracts a lot of attention, since it provides an efficient and promising way to increase CO utilization.

Parent and nano-encapsulated ytterbium(iii) complex toward binding with biological macromolecules, cytotoxicity, cleavage and antimicrobial activity studies.

To determine the chemotherapeutic and pharmacokinetic aspects of an ytterbium complex containing 2,9-dimethyl-1,10-phenanthroline (MePhen), binding studies were carried out with FS-DNA/BSA by employing multiple biophysical methods and a molecular modeling study. There are different techniques including absorption spectroscopy, fluorescence spectroscopy, circular dichroism studies, viscosity experiments (only in the case of DNA), and competitive experiments used to determine the interaction mode between DNA/BSA and the ytterbium-complex. The results showed that the Yb-complex exhibited a high propensity for the interaction of BSA and DNA hydrophobic interactions and van der Waals forces.

Evaluation of parent and nano-encapsulated terbium(III) complex toward its photoluminescence properties, FS-DNA, BSA binding affinity, and biological applications.

Background: There is a crucial need for finding and developing new compounds as the anticancer and antimicrobial agents with better activity, specific target, and less toxic side effects.

Objectives: Base on the potential anticancer properties of lanthanide complexes, in the paper, the biological applications of terbium (Tb) complex, containing 2,9-dimethyl- 1,10-phenanthroline (MePhen) such as anticancer, antimicrobial, DNA cleavage ability, the interaction with FS-DNA (Fish-Salmon DNA) and BSA (Bovine Serum Albumin) was examined.

Methods: The interaction of Tb-complex with BSA and DNA was studied by emission spectroscopy, absorption titration, viscosity measurement, CD spectroscopy, competitive experiments, and docking calculation.

Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways.

Prioritizing the potential risk posed to human health by chemicals requires tools that can estimate exposure from limited information. In this study, chemical structure and physicochemical properties were used to predict the probability that a chemical might be associated with any of four exposure pathways leading from sources-consumer (near-field), dietary, far-field industrial, and far-field pesticide-to the general population. The balanced accuracies of these source-based exposure pathway models range from 73 to 81%, with the error rate for identifying positive chemicals ranging from 17 to 36%.

Carbon ceramic microelectrodes modified with buckyballs for simultaneous determination of redox-active biomolecules.

In this report, simultaneous electrochemical determination of ascorbic acid (AA), dopamine (DA), uric acid (UA) and tryptophan (Trp) was achieved using buckyball-modified carbon ceramic microelectrodes (CCMEs). A concentration-dependent increase in anodic peak current signals was observed in comparison with those obtained at bare CCMEs. The optimal pH for simultaneous determination of a quaternary mixture of AA-DA-UA-Trp was determined to be pH 4.

Vervet monkeys use paths consistent with context-specific spatial movement heuristics.

Animal foraging routes are analogous to the computationally demanding "traveling salesman problem" (TSP), where individuals must find the shortest path among several locations before returning to the start. Humans approximate solutions to TSPs using simple heuristics or "rules of thumb," but our knowledge of how other animals solve multidestination routing problems is incomplete. Most nonhuman primate species have shown limited ability to route plan.

An in situ approach to detect tree root ecology: linking ground-penetrating radar imaging to isotope-derived water acquisition zones.

Tree root distribution and activity are determinants of belowground competition. However, studying root response to environmental and management conditions remains logistically challenging. Methodologically, nondestructive in situ tree root ecology analysis has lagged.