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Scientific Reports Sep 2022Soil organic matter (SOM) is of vital importance to soil health, and also plays a crucial role in the quality of the crops such as tobacco. However, the link between...
Soil organic matter (SOM) is of vital importance to soil health, and also plays a crucial role in the quality of the crops such as tobacco. However, the link between tobacco quality and SOM chemical compositions is still not well understood. To fill the information gap, we analyzed the quality of tobacco leaves and the corresponding SOM molecular compositions by electrospray ionization (ESI) coupled with Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), that were collected from six different sites in Bijie, Guizhou Province, China. The tobacco quality variedin six sites based on their chemical compositions. SOM compounds had a remarked impact on the quality of tobacco leaves and a distinct difference in SOM composition between low-quality and high-quality tobacco leaves was observed as well. Specifically, 105 common molecular formulas were detected in three SOM compounds of high-quality tobacco, which were more than those in low-quality samples. Although amino sugar, proteins, lipids, tannins, and carbohydrates had a collective influence on the chemical composition of tobacco leaves, the effect contributed by amino sugar and tannins was more prominent. In summary, fully understanding the association between tobacco chemical composition and SOM compounds can provide new insight into the regulation of tobacco quality and the sustainable development of agriculture.
Topics: Agriculture; Amino Sugars; Organic Chemicals; Soil; Tannins; Nicotiana
PubMed: 36097148
DOI: 10.1038/s41598-022-19428-6 -
Poultry Science Dec 2020Bedding material or litter is an important requirement of meat chicken production which can influence bird welfare, health, and food safety. A substantial increase in... (Review)
Review
Bedding material or litter is an important requirement of meat chicken production which can influence bird welfare, health, and food safety. A substantial increase in demand and cost of chicken bedding has stimulated interest in alternative bedding sources worldwide. However, risks arising from the use of alternative bedding materials for raising meat chickens are currently unknown. Organic chemicals, elemental, and biological contaminants, as well as physical and management hazards need to be managed in litter to protect the health of chickens and consequently that of human consumers. This requires access to information on the transfer of contaminants from litter to food to inform risk profiles and assessments to guide litter risk management. In this review, contaminants and hazards of known and potential concern in alternative bedding are described and compared with existing standards for feed. The contaminants considered in this review include organic chemical contaminants (e.g., pesticides), elemental contaminants (e.g., arsenic, cadmium, and lead), biological contaminants (phytotoxins, mycotoxins, and microorganisms), physical hazards, and management hazards. Reference is made to scientific literature for acceptable levels of the above contaminants in chicken feed that can be used for guidance by those involved in selecting and using bedding materials.
Topics: Animal Husbandry; Animals; Arsenic; Bedding and Linens; Chickens; Food Safety; Organic Chemicals
PubMed: 33248583
DOI: 10.1016/j.psj.2020.09.047 -
Environmental Toxicology and Chemistry Apr 2017The objective of the present study was to review the current knowledge regarding the bioaccumulation potential of ionizable organic compounds (IOCs), with a focus on the... (Review)
Review
The objective of the present study was to review the current knowledge regarding the bioaccumulation potential of ionizable organic compounds (IOCs), with a focus on the availability of empirical data for fish. Aspects of the bioaccumulation potential of IOCs in fish that can be characterized relatively well include the pH dependence of gill uptake and elimination, uptake in the gut, and sorption to phospholipids (membrane-water partitioning). Key challenges include the lack of empirical data for biotransformation and binding in plasma. Fish possess a diverse array of proteins that may transport IOCs across cell membranes. Except in a few cases, however, the significance of this transport for uptake and accumulation of environmental contaminants is unknown. Two case studies are presented. The first describes modeled effects of pH and biotransformation on the bioconcentration of organic acids and bases, while the second employs an updated model to investigate factors responsible for accumulation of perfluorinated alkyl acids. The perfluorinated alkyl acid case study is notable insofar as it illustrates the likely importance of membrane transporters in the kidney and highlights the potential value of read-across approaches. Recognizing the current need to perform bioaccumulation hazard assessments and ecological and exposure risk assessment for IOCs, the authors provide a tiered strategy that progresses (as needed) from conservative assumptions (models and associated data) to more sophisticated models requiring chemical-specific information. Environ Toxicol Chem 2017;36:882-897. © 2016 SETAC.
Topics: Animals; Biotransformation; Fishes; Gills; Hydrogen-Ion Concentration; Models, Biological; Organic Chemicals; Research; Risk Assessment; Water Pollutants, Chemical
PubMed: 27992066
DOI: 10.1002/etc.3680 -
Chemical & Pharmaceutical Bulletin 2017
Topics: Chemistry Techniques, Synthetic; Organic Chemicals
PubMed: 28049903
DOI: 10.1248/cpb.c17-ctf6501 -
PloS One 2018Water conservation and economics dictate that fresh produce processors reuse/recirculate the process water. However, the ensuing accumulation of organic matter in water...
Water conservation and economics dictate that fresh produce processors reuse/recirculate the process water. However, the ensuing accumulation of organic matter in water depletes the chlorine sanitizer required for food safety. In this study, we comprehensively investigated chemical compounds that are responsible for water quality in relation to chemical oxygen demand (COD) and chlorine demand (CLD), the two most critical factors associated with water treatment and chlorine replenishment. Simulating commercial fresh-cut wash operations, multiple batches of diced cabbage (0.3 x 0.3 cm2) were washed in the same tank of water. The major components were isolated from the wash water and analyzed by HPLC. Sugars were the predominant compounds (82.7% dry weight) and the major contributor to COD (81.6%), followed by proteins/peptides (7.3% dry weight, 5.3% COD), organic acids (6.2% dry weight, 3.6% COD), and phenolics (0.5% dry weight, 0.5% COD). By repeated time course measures, the effect of these chemicals on CLD are dependent on the chemical structure, concentration in the wash water, and their rate of reaction. Proteins/peptides accounted for about 50% of the total CLD over a 120-min period and phenolics was 21% at 5 min, but diminished with time. The contribution by organic acids and sugars increased continuously, reaching 22% and 16% of total CLD at 120 min of chlorination, respectively. Collectively, these compounds represented 86% of the CLD in cabbage wash water at 5 min and greater than 94% CLD afterwards. This is the first systematic report on the source of COD and CLD during fresh produce washing. It provides essential information for the produce processors to develop safe, effective, and economical wash water treatment/reuse and chlorine replenishment strategies.
Topics: Biological Oxygen Demand Analysis; Brassica; Chlorine; Disinfectants; Food Safety; Hydrocarbons, Chlorinated; Organic Chemicals; Phenols; Water; Water Quality
PubMed: 30540850
DOI: 10.1371/journal.pone.0208945 -
Topics in Current Chemistry (Cham) Jun 2016Proton-coupled electron transfers (PCETs) are unconventional redox processes in which both protons and electrons are exchanged, often in a concerted elementary step.... (Review)
Review
Proton-coupled electron transfers (PCETs) are unconventional redox processes in which both protons and electrons are exchanged, often in a concerted elementary step. While PCET is now recognized to play a central a role in biological redox catalysis and inorganic energy conversion technologies, its applications in organic synthesis are only beginning to be explored. In this chapter, we aim to highlight the origins, development, and evolution of the PCET processes most relevant to applications in organic synthesis. Particular emphasis is given to the ability of PCET to serve as a non-classical mechanism for homolytic bond activation that is complimentary to more traditional hydrogen atom transfer processes, enabling the direct generation of valuable organic radical intermediates directly from their native functional group precursors under comparatively mild catalytic conditions. The synthetically advantageous features of PCET reactivity are described in detail, along with examples from the literature describing the PCET activation of common organic functional groups.
Topics: Coordination Complexes; Electron Transport; Electrons; Hydrogen; Indoles; Organic Chemicals; Oxidation-Reduction; Phenols; Protons; Quinones
PubMed: 27573270
DOI: 10.1007/s41061-016-0030-6 -
Accounts of Chemical Research Mar 2015In 1996, a snapshot of the field of synthesis was provided by many of its thought leaders in a Chemical Reviews thematic issue on "Frontiers in Organic Synthesis". This...
In 1996, a snapshot of the field of synthesis was provided by many of its thought leaders in a Chemical Reviews thematic issue on "Frontiers in Organic Synthesis". This Accounts of Chemical Research thematic issue on "Synthesis, Design, and Molecular Function" is intended to provide further perspective now from well into the 21st century. Much has happened in the past few decades. The targets, methods, strategies, reagents, procedures, goals, funding, practices, and practitioners of synthesis have changed, some in dramatic ways as documented in impressive contributions to this issue. However, a constant for most synthesis studies continues to be the goal of achieving function with synthetic economy. Whether in the form of new catalysts, reagents, therapeutic leads, diagnostics, drug delivery systems, imaging agents, sensors, materials, energy generation and storage systems, bioremediation strategies, or molecules that challenge old theories or test new ones, the function of a target has been and continues to be a major and compelling justification for its synthesis. While the targets of synthesis have historically been heavily represented by natural products, increasingly design, often inspired by natural structures, is providing a new source of target structures exhibiting new or natural functions and new or natural synthetic challenges. Complementing isolation and screening approaches to new target identification, design enables one to create targets de novo with an emphasis on sought-after function and synthetic innovation with step-economy. Design provides choice. It allows one to determine how close a synthesis will come to the ideal synthesis and how close a structure will come to the ideal function. In this Account, we address studies in our laboratory on function-oriented synthesis (FOS), a strategy to achieve function by design and with synthetic economy. By starting with function rather than structure, FOS places an initial emphasis on target design, thereby harnessing the power of chemists and computers to create new structures with desired functions that could be prepared in a simple, safe, economical, and green, if not ideal, fashion. Reported herein are examples of FOS associated with (a) molecular recognition, leading to the first designed phorbol-inspired protein kinase C regulatory ligands, the first designed bryostatin analogs, the newest bryologs, and a new family of designed kinase inhibitors, (b) target modification, leading to highly simplified but functionally competent photonucleases-molecules that cleave DNA upon photoactivation, (c) drug delivery, leading to cell penetrating molecular transporters, molecules that ferry other attached or complexed molecules across biological barriers, and (d) new reactivity-regenerating reagents in the form of functional equivalents of butatrienes, reagents that allow for back-to-back three-component cycloaddition reactions, thus achieving structural complexity and value with step-economy. While retrosynthetic analysis seeks to identify the best way to make a target, retrofunction analysis seeks to identify the best targets to make. In essence, form (structure) follows function.
Topics: Animals; Biological Products; Bryostatins; DNA Cleavage; Drug Delivery Systems; Drug Design; Humans; Ligands; Organic Chemicals; Protein Kinase C; Protein Kinase Inhibitors
PubMed: 25742599
DOI: 10.1021/acs.accounts.5b00004 -
Environmental Toxicology and Chemistry Apr 2022With improved analytical techniques, environmental monitoring studies are increasingly able to report the occurrence of tens or hundreds of chemicals per site, making it...
With improved analytical techniques, environmental monitoring studies are increasingly able to report the occurrence of tens or hundreds of chemicals per site, making it difficult to identify the most relevant chemicals from a biological standpoint. For the present study, organic chemical occurrence was examined, individually and as mixtures, in the context of potential biological effects. Sediment was collected at 71 Great Lakes (USA/Canada) tributary sites and analyzed for 87 chemicals. Multiple risk-based lines of evidence were used to prioritize chemicals and locations, including comparing sediment concentrations and estimated porewater concentrations with established whole-organism benchmarks (i.e., sediment and water quality criteria and screening values) and with high-throughput toxicity screening data from the US Environmental Protection Agency's ToxCast database, estimating additive effects of chemical mixtures on common ToxCast endpoints, and estimating toxic equivalencies for mixtures of alkylphenols and polycyclic aromatic hydrocarbons (PAHs). This multiple-lines-of-evidence approach enabled the screening of more chemicals, mitigated the uncertainties of individual approaches, and strengthened common conclusions. Collectively, at least one benchmark/screening value was exceeded for 54 of the 87 chemicals, with exceedances observed at all 71 of the monitoring sites. Chemicals with the greatest potential for biological effects, both individually and as mixture components, were bisphenol A, 4-nonylphenol, indole, carbazole, and several PAHs. Potential adverse outcomes based on ToxCast gene targets and putative adverse outcome pathways relevant to individual chemicals and chemical mixtures included tumors, skewed sex ratios, reproductive dysfunction, hepatic steatosis, and early mortality, among others. The results provide a screening-level prioritization of chemicals with the greatest potential for adverse biological effects and an indication of sites where they are most likely to occur. Environ Toxicol Chem 2022;41:1016-1041. Published 2022. This article is a U.S. Government work and is in the public domain in the USA. Environmental Toxicology and Chemistry published by Wiley Periodicals LLC on behalf of SETAC.
Topics: Environmental Monitoring; Lakes; Polycyclic Aromatic Hydrocarbons; Water Pollutants, Chemical; Water Quality
PubMed: 35170813
DOI: 10.1002/etc.5286 -
Angewandte Chemie (International Ed. in... Jan 2013Charged intermediates and reagents are ubiquitous in organic transformations. The interaction of these ionic species with chiral neutral, anionic, or cationic small... (Review)
Review
Charged intermediates and reagents are ubiquitous in organic transformations. The interaction of these ionic species with chiral neutral, anionic, or cationic small molecules has emerged as a powerful strategy for catalytic, enantioselective synthesis. This review describes developments in the burgeoning field of asymmetric ion-pairing catalysis with an emphasis on the insights that have been gleaned into the structural and mechanistic features that contribute to high asymmetric induction.
Topics: Catalysis; Chemistry, Organic; Ions; Models, Molecular; Molecular Structure; Organic Chemicals; Organic Chemistry Phenomena; Stereoisomerism
PubMed: 23192886
DOI: 10.1002/anie.201205449 -
Molecules (Basel, Switzerland) Feb 2022This focused review presents various approaches or formats in which liquid crystals (LCs) have been used as stimuli-responsive sensors. In these sensors, the LC... (Review)
Review
This focused review presents various approaches or formats in which liquid crystals (LCs) have been used as stimuli-responsive sensors. In these sensors, the LC molecules adopt some well-defined arrangement based on the sensor composition and the chemistry of the system. The sensor usually consists of a molecule or functionality in the system that engages in some form of specific interaction with the analyte of interest. The presence of analyte brings about the specific interaction, which then triggers an orientational transition of the LC molecules, which is optically discernible via a polarized optical image that shows up as dark or bright, depending on the orientation of the LC molecules in the system (usually a homeotropic or planar arrangement). The various applications of LCs as biosensors for glucose, protein and peptide detection, biomarkers, drug molecules and metabolites are extensively reviewed. The review also presents applications of LC-based sensors in the detection of heavy metals, anionic species, gases, volatile organic compounds (VOCs), toxic substances and in pH monitoring. Additionally discussed are the various ways in which LCs have been used in the field of material science. Specific attention has been given to the sensing mechanism of each sensor and it is important to note that in all cases, LC-based sensing involves some form of orientational transition of the LC molecules in the presence of a given analyte. Finally, the review concludes by giving future perspectives on LC-based sensors.
Topics: Algorithms; Biomarkers; Biosensing Techniques; Gases; Humans; Hydrogen-Ion Concentration; Liquid Crystals; Metals, Heavy; Models, Chemical; Molecular Diagnostic Techniques; Molecular Structure; Organic Chemicals; Toxins, Biological; Volatile Organic Compounds
PubMed: 35209239
DOI: 10.3390/molecules27041453