Two fluorinases prioritized from protein families of fluorinase, SAM-dependent chlorinase and hydroxide adenosyltransferase.

Fluorinases represent the only known biological catalysts capable of forming carbon-fluorine bonds, but their slow catalytic rate limits their broader application. In this study, two fluorinases, FlA and FlA, were identified from a pool of 12 718 nonredundant proteins using a genome-mining approach, with FlA showing high catalytic activity. Both newly identified fluorinases contain a Phe50 residue in place of the Trp50 typically found in fluorinases.

Elucidating impacts of partitioning and transmembrane permeability on absorption of chemicals in human gastrointestinal tract.

Estimating the fraction absorbed (F) of orally ingested chemicals in the human gastrointestinal tract is pivotal for assessing chemical concentrations in the systemic circulation and informing potential toxicological impacts, especially in the era of "new approach methods" targeting chemical screening and prioritization. Here, we present an input-parsimonious and computationally efficient approach to support the screening-level estimation of F from partitioning (characterized using the octanol-water partition coefficient at pH 7.4, K) and transmembrane permeability (characterized using the Caco-2 apparent permeability, P), based on a mechanistic description of processes involved in chemical absorption: [Formula: see text] Our approach demonstrates satisfactory performance in predicting F for 176 hydrophobic and hydrophilic organic chemicals, with a Pearson correlation coefficient greater than 0.

Shared oscillatory mechanisms of alpha-band activity in prefrontal regions in eyes open and closed state using a portable EEG acquisition device.

Alpha oscillations are associated with various psychiatric disorders, with many studies focusing on the prefrontal cortex, where transcranial alternating current stimulation (TACS) is applied in the alpha frequency band. This approach often involves selecting individualized alpha frequencies to resonate with their endogenous alpha oscillations. While strong alpha oscillations (8-13 Hz) are typically induced when the eyes are closed, they can also occur during the resting state with eyes open.

Hydroxyl radical oxidation of chemical contaminants on indoor surfaces and dust.

Humans are widely exposed to semivolatile organic contaminants in indoor environments. Many contaminants have long lifetimes following partitioning to the large surface reservoirs present indoors, which leads to long exposure times to gas-phase oxidants and multiphase chemistry. Studies have shown selective multiphase oxidation of organics on indoor surfaces, but the presence of hydroxyl radicals with nonselective reactivity and evidence of multiphase OH radical reactivity toward common indoor contaminants indicates that there may be additional unknown transformation chemistry indoors.

Novel metabolites from the Mariana Trench-derived fungus sp. SY2250.

Four previously undescribed compounds talaromyester A () and purpuresters C-E (), together with known purpurester A () and purpuride G (), were isolated from the metabolites produced by the Mariana Trench sediment-derived fungus sp. SY2250. Compounds , two pairs of racemates, were separated on a chiral HPLC column.

Antiproliferative metabolites against glioma cells from the marine-associated actinomycete Streptomyces sp. ZZ735.

Metabolites produced by the genus Streptomyces are the most important resource for discovering bioactive compounds. In this study, chemical investigation on the metabolites produced by the marine-derived Streptomyces sp. ZZ735 in rice solid medium led to the isolation of eighteen compounds (1-18).

Understanding the Impacts of Presystemic Metabolism on the Human Oral Bioavailability of Chemicals.

Animal-free new approach methods promote chemical assessments based on the comparison between bioactivity and human internal concentrations, which necessitates a dependable knowledge of human oral bioavailability, i.e., the fraction of an orally ingested chemical that escapes from presystemic ("first-pass") metabolic processes and eventually enters systemic circulation.

Antimicrobial metabolites from the marine-derived fungus Aspergillus sp. ZZ1861.

Fungi from the genus Aspergillus are important resources for the discovery of bioactive agents. This investigation characterized the isolation, structural elucidation, and antimicrobial evaluation of 46 metabolites produced by the marine-derived fungus Aspergillus sp. ZZ1861 in rice solid and potato dextrose broth liquid media.

Modeling sorption of environmental organic chemicals from water to soils.

Reliable estimation of chemical sorption from water to solid phases is an essential prerequisite for reasonable assessments of chemical hazards and risks. However, current fate and exposure models mostly rely on algorithms that lack the capability to quantify chemical sorption resulting from interactions with multiple soil constituents, including amorphous organic matter, carbonaceous organic matter, and mineral matter. Here, we introduce a novel, generic approach that explicitly combines the gravimetric composition of various solid constituents and poly-parameter linear free energy relationships to calculate the solid-water sorption coefficient () for non-ionizable or predominantly neutral organic chemicals with diverse properties in a neutral environment.

Origin of the 6/5/6/5 Tetracyclic Cyclopiazonic Acids.

The natural product α-cyclopiazonic acid (α-CPA) is a very potent Ca-ATPase inhibitor. The CPA family of compounds comprise over 80 chemical entities with at least five distinct skeletons. While α-CPA features a canonical 6/5/6/5/5 skeleton, the 6/5/6/5 skeleton is the most prevalent among the CPA family.

Chemical Space Covered by Applicability Domains of Quantitative Structure-Property Relationships and Semiempirical Relationships in Chemical Assessments.

A significant number of chemicals registered in national and regional chemical inventories require assessments of their potential "hazard" concerns posed to humans and ecological receptors. This warrants knowledge of their partitioning and reactivity properties, which are often predicted by quantitative structure-property relationships (QSPRs) and other semiempirical relationships. It is imperative to evaluate the applicability domain (AD) of these tools to ensure their suitability for assessment purpose.

Isolation and Structure Elucidation of New Metabolites from the Mariana-Trench-Associated Fungus sp. SY2601.

Fungi are important resource for the discovery of novel bioactive natural products. This study investigated the metabolites produced by Mariana-Trench-associated fungus sp. SY2601 in EY liquid and rice solid media, resulting in the isolation and structure determination of 28 metabolites, including five new compounds, asperindopiperazines A-C (-), 5-methoxy-8,9-dihydroxy-8,9-deoxyaspyrone (), and 12-aspertetranone D ().

Protective effects of methyl protodioscin against lipid disorders and liver injury in hyperlipidemic gerbils.

Methyl protodioscin (MPD) is the main component of total diosgenin, which was reported to reduce cholesterol and triglyceride levels potentially. This study aimed to investigate the beneficial effects of MPD against lipid disorder in hyperlipidemic gerbils induced by a high-fat diet (HFD). Hyperlipidemia was induced in gerbils by feeding them with HFD for six weeks, and a daily oral dose of MPD solution (25 and 50 mg/kg/day) was administered.

Understanding the importance of atmospheric transformation in assessing the hazards of liquid crystal monomers.

Liquid crystal monomers (LCMs), a group of synthetic chemicals released from liquid crystal devices such as televisions and smartphones, have recently been recognized as emerging contaminants due to their widespread occurrence in the environment and potential negative impacts on human health. Airborne LCMs can undergo atmospheric oxidation reactions to form various transformation products. Despite the certainty of atmospheric transformation chemistry, the knowledge about the hazard properties of transformation products remains largely unknown.

Hazard vs. exposure: Does it make a difference in identifying chemicals with persistence and mobility concerns?

Persistent and mobile (PM) chemicals are considered emerging threats to the environment and drinking water because they can be transported over long distances, penetrate natural and artificial barriers, and resist removal by traditional water treatment procedures. Current chemical regulatory frameworks raise concerns over PM chemicals due to their potential to cause high human exposure through drinking water contamination. However, the criteria used to screen and identify these chemicals often rely on hazard properties related to stability and sorption, such as biodegradation half-lives and organic-carbon-normalized sorption coefficients as respective measures of P and M.

Two-Dimensional Graphitic Carbon Nitride for Improving the Performance of Organic Solar Cells.

Organic solar cells (OSCs) have attracted lots of attention owing to their low cost, lightweight, and flexibility properties. Nowadays, the performance of OSCs is continuously improving with the development of active layer materials. However, the traditional hole transport layer (HTL) material Poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) presents insufficient conductivity and rapid degradation, which decreases the efficiency and stability of OSCs.

High hydrostatic pressure harnesses the biosynthesis of secondary metabolites via the regulation of polyketide synthesis genes of hadal sediment-derived fungi.

Deep-sea fungi have evolved extreme environmental adaptation and possess huge biosynthetic potential of bioactive compounds. However, not much is known about the biosynthesis and regulation of secondary metabolites of deep-sea fungi under extreme environments. Here, we presented the isolation of 15 individual fungal strains from the sediments of the Mariana Trench, which were identified by internal transcribed spacer (ITS) sequence analysis as belonging to 8 different fungal species.

Retrieval, Selection, and Evaluation of Chemical Property Data for Assessments of Chemical Emissions, Fate, Hazard, Exposure, and Risks.

Reliable chemical property data are the key to defensible and unbiased assessments of chemical emissions, fate, hazard, exposure, and risks. However, the retrieval, evaluation, and use of reliable chemical property data can often be a formidable challenge for chemical assessors and model users. This comprehensive review provides practical guidance for use of chemical property data in chemical assessments.