Chemical Categories Research Articles

Ultra-performance liquid chromatography-tandem mass spectrometry revealed the significantly different metabolic profiles of Auricularia cornea growing on weakly acidic and weakly alkaline substrates.

Auricularia cornea is a widely prized basidiomycetous mushroom with culinary and medicine value, which is cultivated artificially on a large scale in China. However, little attention has been paid to the differences in metabolic profiles under different pH growth conditions. In the present study, weakly acidic and weakly alkaline artificial substrates were developed and used for the cultivation of A. cornea, and the metabolic profiles of its fruiting bodies were determined using ultra performance liquid chromatography-tandem mass spectrometry. The results show that the weakly alkaline substrate environment promoted mycelial growth, increased body surface area, and improved yield and transformation efficiency, but attenuated metabolite accumulation by A. cornea. A total of 412 different metabolites were identified in negative and positive ion mode, of which 99 had significantly different amounts and covered 51 metabolic pathways. Principal component analysis and orthogonal patrial least squares discriminant analysis showed clear separation between two treatments, indicating different metabolic profiles. The different metabolites mainly included seven chemical categories, including amino acids and derivatives, nucleotides and derivatives, phenolic acids, organic acids, lipids, flavonoids and alkaloids. This study revealed the biological significance of these metabolites, which could be useful for further unexplored compounds and possible biological functions of A. cornea.

Key characters of glycodrugs.

Glycodrug is an important chemical medicine category derived from biological carbohydrates and their mimics. However, the fundamental logic and features of glycodrugs are obscure issues. To make it easier to understand, four key characters of glycodrugs are extracted for reference. First, Glc relating drugs are key guards in glycometabolism. Second, Rib, GlcN/GalN, and Sia relating drugs are efficient modulators in life signaling regulations. Third, rare sugar relating drugs are effective weapons against various pathogens. Finally, glycosylation modifications are helpful strategies for druggability enhancement. In light of such key characters, more innovative glycodrugs will emerge in the future.

Screening of major hepatotoxic components of Tripterygium wilfordii based on hepatotoxic injury patterns

BackgroundTripterygium wilfordii Hook. F. (TwHF), a traditional Chinese medicine, is widely used in the treatment of rheumatoid arthritis. Due to multiorgan toxicity, particularly hepatotoxicity, the application of TwHF is restricted. To clarify the hepatotoxic substances, zebrafish, hepatocytes and macrophages were used for screening based on hepatotoxic injury patterns. This study provides a basis for further elucidation of the hepatotoxic mechanism of TwHF.MethodsFirst, 12 compounds were selected according to the chemical categories of TwHF. The fluorescence area and fluorescence intensity of zebrafish livers were observed and calculated. The viability of two hepatocyte lines was detected by CCK8 assay. TNF-α and IL-1β mRNA expression in bone marrow-derived macrophages was used to evaluate macrophage activation, a factor of potential indirect hepatotoxicity. Finally, the hepatotoxic characteristics of 4 representative components were verified in mice in vivo.ResultsParthenolide, triptolide, triptonide, triptobenzene H, celastrol, demethylzeylasteral, wilforlide A, triptotriterpenic acid A and regelidine significantly reduced the fluorescence area and fluorescence intensity of zebrafish livers. The viability of L-02 or AML-12 cells was significantly inhibited by parthenolide, triptolide, triptonide, celastrol, demethylzeylasteral, and triptotriterpenic acid A. Parthenolide, triptolide, triptonide, celastrol, demethylzeylasteral and triptobenzene H significantly increased TNF-α and IL-1β mRNA levels in macrophages, while triptophenolide, hypodiolide and wilforine significantly reduced TNF-α and IL-1β mRNA levels. Triptotriterpenic acid A, celastrol and triptobenzene H at a dose of 10 mg/kg significantly increased the levels of mouse serum alanine aminotransferase and aspartate aminotransferase and aggravated liver inflammation.ConclusionsParthenolide, triptolide, triptonide, celastrol, demethylzeylasteral, triptotriterpenic acid A and triptobenzene H might be the main hepatotoxic components of TwFH. Among them, only triptotriterpenic acid A presents direct hepatotoxicity. Triptobenzene H exerts indirect liver damage by activating macrophages. Parthenolide, triptolide, triptonide, celastrol, and demethylzeylasteral can directly and indirectly cause liver injury.

Hematological and Serum Biochemical Values of Free-Ranging Roe Deer (Capreolus capreolus) in Poland.

This study presents the hematological and serum biochemical values of physically captured roe deer (Capreolus capreolus). The study material was blood sampled from roe deer captured with the use of a specialist trap mesh and no anesthesia. Blood samples were collected from 122 roe deer from January to April in 2016, 2017, and 2018 in the Lublin region of Poland. The hematological and biochemical variables were determined with results showing statistically significant differences between the mean values of RBC, HCT, and HB according to sex. Reference intervals should be more specific to the broad physical versus chemical capture categories.

Application of read-across methods as a framework for the estimation of emissions from chemical processes.

The read-across method is a popular data gap filling technique with developed application for multiple purposes, including regulatory. Within the US Environmental Protection Agency's (US EPA) New Chemicals Program under Toxic Substances Control Act (TSCA), read-across has been widely used, as well as within technical guidance published by the Organization for Economic Co-operation and Development, the European Chemicals Agency, and the European Center for Ecotoxicology and Toxicology of Chemicals for filling chemical toxicity data gaps. Under the TSCA New Chemicals Review Program, US EPA is tasked with reviewing proposed new chemical applications prior to commencing commercial manufacturing within or importing into the United States. The primary goal of this review is to identify any unreasonable human health and environmental risks, arising from environmental releases/emissions during manufacturing and the resulting exposure from these environmental releases. The authors propose the application of read-across techniques for the development and use of a framework for estimating the emissions arising during the chemical manufacturing process. This methodology is to utilize available emissions data from a structurally similar analogue chemical or a group of structurally similar chemicals in a chemical family taking into consideration their physicochemical properties under specified chemical process unit operations and conditions. This framework is also designed to apply existing knowledge of read-across principles previously utilized in toxicity estimation for an analogue or category of chemicals and introduced and extended with a concurrent case study.

COMPARATIVE PHYTOCHEMICAL, MINERAL, PROXIMATE AND ORGANIC COMPOUND STUDY OF FOLIAR EXTRACTS OF CAPSICUM SPECIES WITH THEIR ANTIMICROBIAL POTENTIALS

Capsicum variants are significant spices in traditional diets because they provide nutritional and medicinal benefits and contain high levels of vitamins A and C. Determining the near-term, chemical, biochemical, and antibacterial potentials of foliar extracts of Capsicum annuum and C. chinense is the main goal of this work. The primary goal of this study was to examine the biochemical components of the extracts of Capsicum spp. in relation to their antibacterial potentials. Standard techniques were used to study the proximate and phytochemical analyses of these extracts, and Gas Chromatography-Mass Spectrometry (GCMS) was employed to assess the elemental and organic content of the leaves. By using the disc-diffusion method, the bioactive components and antibacterial efficacy of 7 bacterial and 3 fungus isolates were examined. The biochemical analyses showed that the leaves have a high crude protein content and low dry matter content. Studies on phytochemicals revealed that among the other phytochemicals found, C. annuum and C. chinense were rich in cardiac glycoside but low in tannin. In the extracts of the, it was discovered that Mn, Zn, Cu, Na, K, Mg, Ca, Fe, and P were among the different mineral elements present. There were found to be 16 different organic compounds in all, falling into five different chemical categories: esters, alkanoates, alkanoic acids, alkanols, and alkanes. The methanolic extracts of C. annuum and C. chinense exhibit notable effectiveness against all chosen bacterial and fungal isolates when used at a dosage range. These plant species’ methanolic extracts were discovered to be full of chemical and biological components. As a result, these chemicals’ synergistic actions are anticipated to have positive effects on nutrition and health. Therefore, it is advised to consume a lot of food that contains these components.

Minor bioactive lipids.

Bioactive lipids-major and minor-comprise an array of compounds belonging to different chemical categories. Among the minor bioactive lipids carotenoids, sterols and tocochromanols attract continuously the interest of food scientists, nutritionists and medical doctors for their importance in food processing, preservation and for their health properties. Provitamin A and non-provitamin A carotenoids are found in various food sources of plant and animal origin and are added to foods as colorants. Their interactions with other food ingredients are critical because of their role against reactive oxygen species. The role of cholesterol through the diet after decades of disputes is better justified whereas at the same time emphasis is given to the technological and health aspects of phytosterols, which became very efficiently part of the daily diet for many population groups. Last but not least the importance of vitamin E is in a continuous debate for over 100years whereas studies on tocotrienols are intensified as a result of a transient to palm oil product consumption globally. Chemistry, natural occurrence, absorption and metabolism, dietary intake and dietary recommendations, major health impacts and key technological issues are updated and discussed with the support of recent findings.

Research on the Chemical Hazard Risk of Toys Exported to EU from China Based on the Analysis of the EU “Safety Gate” Alerts Cases

Based on the analysis of the 2544 alert cases from “Safety Gate” (the EU rapid alert system for dangerous non-food products) of toys exported to the EU market from China in the past five years (2017-2021), this study focuses on the chemical hazards as the key research object, investigates and identifies categories of toy products and related chemicals with high notification rate. The research results have shown that the most seriously and frequently alerted toy products due to chemical hazards from China exported to the EU are plastic dolls, slimes, rubber toy balloons, toy guns and squeezable toys, while the high failure rate of chemicals in sequence are phthalates, boron element, N-Nitrosamines and N-Nitrosatable substances, and bis(2-(dimethylamino)ethyl) ether. This study aims to improve the efficiency of inspection and test of export toys, and provide decision-making references for Chinese toy export enterprises to respond to EU technical trade measures.

A comprehensive database analysis of post-translational modifications with chemical and functional categories. A throughout PTM study of 2022 databases

A comprehensive database analysis of post-translational modifications with chemical and functional categories. A throughout PTM study of 2022 databases

An overview of synthesis and applications of silver nano-particles

Nanoparticles have different characteristics than their larger counterparts. The mechanical, magnetic, as well as optical properties, add uniqueness to the silver nanoparticles, as the changes in mechanical attributes of substances at the nanoscale are about four times those of macro-sized materials, whereas the magnetic nature of these nanoparticles varies with temperature. These nanoparticles are helpful in several industries, such as medicine, electronics, and environmental restoration, as silver nanoparticles surpass other metal nanoparticles in some qualities and applications. A major advantageous property is microbe resistance, which serves the medicinal field, but these nano-sized particles have their limitations because of nanotoxicity. There are a lot of methods for synthesizing nano silver, and these are listed under chemical, physical, and biological categories. Since the synthesis listed requires physical and chemical methods, which are expensive, the majority of synthesis now takes place through biological pathways involving plant extracts and microorganisms. The technique of production in a biological manner is called the biogenic process of production. The review aims at analyzing the proper synthesis techniques, properties, and application fields of nano-sized silver particles.

Identifying chemicals based on receptor binding/bioactivation/mechanistic explanation associated with potential to elicit hepatotoxicity and to support structure activity relationship-based read-across

The liver is the most common target organ in toxicology studies. The development of chemical structural alerts for identifying hepatotoxicity will play an important role in in silico model prediction and help strengthen the identification of analogs used in structure activity relationship (SAR)- based read-across. The aim of the current study is development of an SAR-based expert-system decision tree for screening of hepatotoxicants across a wide range of chemistry space and proposed modes of action for clustering of chemicals using defined core chemical categories based on receptor-binding or bioactivation. The decision tree is based on ∼ 1180 different chemicals that were reviewed for hepatotoxicity information. Knowledge of chemical receptor binding, metabolism and mechanistic information were used to group these chemicals into 16 different categories and 102 subcategories: four categories describe binders to 9 different receptors, 11 categories are associated with possible reactive metabolites (RMs) and there is one miscellaneous category. Each chemical subcategory has been associated with possible modes of action (MOAs) or similar key structural features. This decision tree can help to screen potential liver toxicants associated with core structural alerts of receptor binding and/or RMs and be used as a component of weight of evidence decisions based on SAR read-across, and to fill data gaps.

Novel perspective on the spoilage metabolism of refrigerated sturgeon fillets: Nonspecific spoilage dominant organisms play an important role

Aeromonas sobria, a specific spoilage organism (SSO) in refrigerated (4 °C) sturgeon fillets, is considered as the main contributor for sturgeon spoilage. However, the spoilage metabolism of A. sobria is influenced by bacterial interactions, and the effect of nonspecific spoilage dominant organisms on the spoilage metabolism of A. sobria during storage is still unknown. In this study, the spoilage characteristics and metabolite changes of different inoculation groups under chilled storage were investigated through a co-cultivation model. The results of spoilage indicators indicated that the microbial interactions changed the spoilage characteristic of the fish model, although A. sobria played the most important role. Based on metabolome results, 549 differential metabolites were identified in two ion modes, which involved 9 chemical categories and 4 main metabolic pathways. The nonspecific spoilage dominant bacteria M. caseolyticus in the early stage of refrigeration affects the amino acid metabolism pathways of fish model by secreting extracellular proteases and peptidases. However, the nonspecific spoilage dominant bacteria A. albensis in the later period of refrigeration accelerate the lipid metabolism, and amino acid metabolism via secreting extracellular peptidases, lipase and esterase. This work may provide insights on controlling the spoilage of aquatic products by intervening degradation pathways.

Honeydew contaminated cotton: a sticky problem needs a solution

Purpose Bales of cotton run through the gins and textile mill instruments, stick to them and make it cumbersome for the ginning mill workers. This is so because more time and money have to be invested in cleaning these instruments. The stickiness of cotton causes health hazards to the workers, decreases the yarn quality and economic loss to the textile industry. The effect of cotton stickiness on textile ginning, various methods for cotton stickiness detection and the steps for reduction are discussed. Design/methodology/approach The different methods that are available for detecting and measuring cotton stickiness are described. The sugars that cause stickiness are either of plant origin (physiological sugars) or from the feeding insects (entomological origin). The methods for stickiness detection and reduction are discussed under physical, chemical and biological categories. Findings This review suggests possible ways to mitigate cotton stickiness. Originality/value One of the major issues of the textile industry is honeydew-contaminated cotton stickiness. However, there are few papers on detection methods for analyzing honeydew cotton stickiness along with the approaches to reduce stickiness. This paper summarizes different methods along with a study for detection as well as reduction of cotton stickiness.

Pesticide contamination in agro-ecosystems: toxicity, impacts, and bio-based management strategies.

Continuous rise in application of pesticides in the agro-ecosystems in order to ensure food supply to the ever-growing population is of greater concern to the human health and the environment. Once entered into the agro-ecosystem, the fate and transport of pesticides is determined largely by the nature of pesticides and the soil attributes, in addition to the soil-inhabiting microbes, fauna, and flora. Changes in the soil microbiological actions, soil properties, and enzymatic activities resulting from pesticide applications are the important factors substantially affecting the soil productivity. Disturbances in the microbial community composition may lead to the considerable perturbations in cycling of major nutrients, metals, and subsequent uptake by plants. Indiscriminate applications are linked with the accumulation of pesticides in plant-based foods, feeds, and animal products. Furthermore, rapid increase in the application of pesticides having long half-life has also been reported to contaminate the nearby aquatic environments and accumulation in the plants, animals, and microbes surviving there. To circumvent the negative consequences of pesticide application, multitude of techniques falling in physical, chemical, and biological categories are presented by different investigators. In the present study, important findings pertaining to the pesticide contamination in cultivated agricultural soils; toxicity on soil microbes, plants, invertebrates, and vertebrates; effects on soil characteristics; and alleviation of toxicity by bio-based management approaches have been thoroughly reviewed. With the help of bibliometric analysis, thematic evolution and research trends on the bioremediation of pesticides in the agro-ecosystems have also been highlighted.

Recent Advances in DNA Nanostructure‐enabled Drug Delivery

AbstractThe unique physicochemical properties of DNA molecules allow them to be used as self‐assembling motifs for the construction of DNA nanostructures with the merits of shape designability, precise addressability, structural dynamic stimuli‐responsiveness, and superb biocompatibility. After loading therapeutical payloads, current DNA nanostructures were able to deliver them to diseased tissues and cells in a targeted manner, and release them responsively, as well as increase the cellular uptake of the payloads. In this review, we investigate the utility of typical DNA nanostructures in the development of the state‐of‐the‐art drug delivery systems, highlighting the key technological aspects in the transportation of payloads of different chemical categories, i. e., small molecules, oligonucleotides and peptides/proteins. Meanwhile, their implementation in various therapeutic modalities was surveyed, including chemotherapy, immunotherapy, gene therapy, protein therapy, photothermal and photodynamic therapy. And finally, possible challenges and future perspective are discussed for further developments.

Setting limits for N-nitrosamines in drugs: A defined approach based on read-across and structure-activity relationship for N-nitrosopiperazine impurities

This paper describes DARAN (Defined Approach for Risk Assessment of New Nitrosamines), an new defined approach that uses lines of reasoning based on structure-activity relationship (SAR) patterns and Read-Across (RAx) to set transparent and acceptable limits for new N-nitrosamines for which no toxicological data exist. We selected the compound 1-methyl-4-nitrosopiperazine (MeNP) as a target to calculate a new acceptable limit on the basis of a more transparent and scientifically reasoned RAx. We used publicly available databases and datasets to retrieve experimental in vitro mutagenicity and in vivo carcinogenicity data for N-nitrosopiperazine compounds and to form the chemical category for an RAx. We carried out SAR analyses to try to understand patterns and to obtain interpretable inferences of variation in carcinogenic potency among the N-nitrosopiperazines compounds and their differences with the potent nitrosamines NDMA (N-nitrosodimethylamine) and NDEA (N-nitrosodiethylamine). To estimate an acceptable limit for the target MeNP, we used the scientifically based hypotheses and the evidence lines of about the influence of structural attributes for a robust RAx. On the basis of the criteria proposed in the Assessment Report EMA/369136/20202 and by using the SAR hypotheses obtained by the analysis, we obtained a robust RAx, scientifically supported assumptions, which resulted in TD50 values predicted from the closest structurally related compounds and a worst-case approach.

Research Progress of Microplastic Pollution in the Vadose Zone

Microplastics (MPs) are widely distributed in the environment. MP pollution has been found in the environment globally, which directly threatens human health. It is of great importance to study the influencing factors and mechanism of MP migration in the vadose zone to evaluate its distribution and environmental risk accurately. Through a literature review, the source, migration, and transformation of MPs in the vadose zone were summarized, and the influencing factors of MP migration in the vadose zone were systematically expounded. The mechanism of MP migration was analyzed, and future research was suggested. The factors affecting the migration of MPs can be divided into chemical, physical, and biological categories. At present, research on the migration of MPs in the vadose zone is in its infancy. In a further study, the migration of MPs at the field scale, the synergistic migration and transformation of MPs with other pollutants and the mutual feedback mechanism, and the use of the properties and biological functions of the vadose zone to study the role and mechanism of MPs in global carbon neutralization are worthy of attention.

Towards reproducible structure-based chemical categories for PFAS to inform and evaluate toxicity and toxicokinetic testing

Per- and Polyfluoroalkyl substances (PFAS) are a class of synthetic chemicals that are in widespread use and present concerns for persistence, bioaccumulation and toxicity. Whilst a handful of PFAS have been characterised for their hazard profiles, the vast majority of PFAS have not been studied. The US Environmental Protection Agency (EPA) undertook a research project to screen ∼150 PFAS through an array of different in vitro high throughput toxicity and toxicokinetic tests in order to inform chemical category and read-across approaches. A previous publication described the rationale behind the selection of an initial set of 75 PFAS, whereas herein, we describe how various category approaches were applied and extended to inform the selection of a second set of 75 PFAS from our library of approximately 430 commercially procured PFAS. In particular, we focus on the challenges in grouping PFAS for prospective analysis and how we have sought to develop and apply objective structure-based categories to profile the testing library and other PFAS inventories. We additionally illustrate how these categories can be enriched with other information to facilitate read-across inferences once experimental data become available. The availability of flexible, objective, reproducible and chemically intuitive categories to explore PFAS constitutes an important step forward in prioritising PFAS for further testing and assessment.

Adoption of Integrated Pest Management for Red Palm Weevil Control among Farmers in Saudi Arabia

The red palm weevil (RPW), Rhynchophorus ferrugineus, is widely considered to be highly invasive and the most damaging insect pest affecting palms in the world. Nonetheless, the prevention or significant slowing of the spread of RPW mainly relies on the application of integrated pest management (IPM) programs. This study aimed to evaluate farmers’ adoption of RPW IPM practices and examine the differences in adoption according to the farmers’ socio-economic attributes and their farm characteristics. The data were collected from 156 farmers through structured questionnaires by the Al-Kharaj governorate, Saudi Arabia. The findings showed that the farmers moderately adopted the categories of legislative control (54.77%) and cultural practices (50.44%), whereas they were showed a low-level adoption regarding the prevention, mechanical control, and chemical control categories. The cluster analysis revealed two variable farmer segments, “low adopters” and “moderate adopters”, based on the average level of adoption of the 23 IPM practices examined. The cluster of “moderate adopters” accounted for 57.1% of the samples and had a higher average adoption in terms of all the practices investigated. Significant differences (p < 0.01) were found between the two groups of farmers, corresponding to their age, education level, farm size, farming experience, number of date palm trees on the farm, off-farm income, farming activities, source of irrigation, type of irrigation, growing of the ‘Khodri’ cultivar, growing of the ‘Barhi’ cultivar, and tree spacing. The results suggest that implementing campaigns to increase public awareness of the consequences resulting from the non-adoption of IPM, enhancing the participation of date palm farmers in the area-wide IPM strategy, and improving recognition behavior by detecting RPW with digital devices are useful actions.

Formation and evaluation of mechanism-based chemical categories for regulatory read-across assessment of repeated-dose toxicity: A case of hemolytic anemia

The aim of this study is to define chemical categories that can be applied to regulatory read-across assessments for repeated-dose toxicity, by classifying toxic substances based on their structures and mechanism of actions (MoAs). Hemolytic anemia, which often appears primarily, was examined as an example. An integrated database was constructed by collecting publicly available datasets on repeated-dose toxicity, in which 423 out of a total of 1518 chemicals were identified as capable of inducing hemolytic anemia. Subsequently, by grouping these chemicals based on their chemical structures and plausible MoAs on hemolytic substances, we identified the following categories: (i) anilines, (ii) nitrobenzenes, (iii) nitroanilines, (iv) dinitroanilines, (v) ethylene glycol alkyl ethers, (vi) hydroquinones, (vii) oximes, and (viii) hydrazines. In these categories, the toxicant and the measurable key events leading to hematotoxicity were identified, thereby allowing us to justify the categories and to discriminate the category substances. Moreover, toxicokinetics seems to critically affect the hemolytic levels of the category substances. Overall, the categories were validated through a comprehensive analysis of the collected information, while the utility was demonstrated by conducting a case study on the selected category. Further endeavors with this approach would attain categories for other organ toxicity endpoints.