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The development of greener and more sustainable synthesis processes for manufacturing commodity chemicals is of great importance. The majority of current phenol production methods involve harsh reaction conditions with high energy consumption, causing severe environmental pollution. In this study, we present a novel approach for the decarboxylation of hydroxybenzoic acids (HBAs) to phenol using a choline chloride‐urea (ChCl‐urea) deep eutectic solvent (DES). Our study reveals the remarkable dual performance of ChCl‐urea both as a catalyst and solvent for the decarboxylation of HBA, resulting in a high phenol yield (94 mol %) under mild reaction conditions. The proposed reaction pathway, established through a combination of experiments and computational simulations, enhances our understanding of this process. The recyclability of the DES system during decarboxylation was also assessed. Our findings demonstrate that the integration of DES into conventional chemical processes can pave the way for sustainable manufacturing, exemplifying a novel approach for producing phenol from abundant natural resources using designer solvents. [ABSTRACT FROM AUTHOR]

The current study aims to monitor the Senna alata’s phytochemical constituents by GC-MS and FT-IR analysis. The phytochemical constituent of various solvent extracts of Senna alata leaves was identified by the gas chromatography-mass spectroscopy (GC-MS) technique. The major constituents identified through GC-MS analysis were L-(+)-Ascorbic Acid 2,6- Dihexadecanoate, Hexadecanoic Acid, Morpholine, 3-(4,5-Dihydroxy) Phenyl-, 1,2-Benzene dicarboxylic Acid, Diethyl Ester and Neophytadiene. The FTIR analysis confirmed the presence of N-H, O-H, C=C, C-H, C=O and NO2 functional groups. The result of this study will provide a platform for using Senna alata as an herbal alternative for various diseases. [ABSTRACT FROM AUTHOR]

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This study aimed to evaluate the alcohol consumption among professional truck and bus drivers using direct ethanol biomarkers, and to explore its relationship with anxiety, depression, and stress. The assessment of potential harmful drinking was conducted through the measurement of direct biomarkers: phosphatidylethanol (PEth), ethyl glucuronide (EtG), and ethyl sulfate (EtS), using dried blood spots (DBS). Additionally, self-reported data from the Alcohol Use Disorders Identification Test (AUDIT-C) were used. Emotional states, including depression, anxiety, and stress, were evaluated using the Depression, Anxiety, and Stress Scale (DASS-21). A total of 97 drivers participated in the study, with the majority being male (96%) and identified as truck drivers (75.3%). Among them, 43.3% reported working more than 10 h daily. The majority of volunteers exhibited normal levels of stress (81.4%), anxiety (83%), and depression (86.6%). According to the AUDIT-C assessment, 30.9% were categorized as having a moderate risk, while 11.3% were deemed to be at high risk for harmful alcohol consumption behavior. Ethyl glucuronide (EtG) and ethyl sulfate (EtS) levels, indicating recent ethanol consumption, were detected in 14.4% of the drivers. In contrast, the long half-life metabolite PEth (16:0-18:1) was present in 88.7% of the volunteers. A moderate correlation (rs = 0.45, p <.01) was observed between PEth levels and AUDIT-C scores. The Receiver Operating Characteristic (ROC) curve, utilizing a PEth threshold of ≥ 59.0 ng ml−1, displayed 78% sensitivity and 73% specificity in effectively distinguishing high risk for alcohol intake. Notably, no significant associations were found between alcohol consumption and levels of stress, depression, and anxiety. The study findings indicate a noteworthy proportion of drivers engaging in regular alcohol consumption alongside a demanding workload. Notably, PEth measurements highlighted an underreporting within the AUDIT-C self-reports. These results lend robust support for the utilization of biomarkers in assessing alcohol consumption patterns among drivers. [ABSTRACT FROM AUTHOR]

Introduction Methods Results Discussion and Conclusions On 1 January 2020, Vietnam introduced a new law with harsher fines and penalties for driving under the influence of alcohol. Reports of empty beer restaurants following this implementation suggested the new law has the potential to reduce population‐level alcohol consumption. This pilot study aims to quantify short‐term changes in alcohol consumption levels after the implementation of the new law and assess whether it could lead to a reduction in total alcohol consumption in the population.Wastewater samples were collected from two sites along a sewage canal in Hanoi during two periods: Period 1 (15 December 2018 to 14 January 2019) and Period 2 (15 December 2019 to 14 January 2020). Ethyl sulfate, a specific metabolite of alcohol, was quantified to monitor the trend of alcohol consumption. Both interrupted time series and controlled interrupted time series approaches were utilised, with Period 1 and Period 2 serving as the control and intervention periods, respectively.Our analysis indicated that the implementation of the new law did not result in an immediate and significant reduction in alcohol consumption at the population level. Meanwhile, there was no significant difference in alcohol consumption between weekdays and weekends both before and after the implementation of the new law.Long‐term monitoring is needed to assess the impact of stricter DUI policy on alcohol consumption in the urban areas of Vietnam. [ABSTRACT FROM AUTHOR]

A potential new family of adaptable, ecologically acceptable solvent systems are ionic liquids (ILs). This study is the first to offer a new method for using imidazolium-based ILs as affordable, anti-corrosion electrolytes for activated carbon-based electrochemical capacitors (ECs). In this context, the ILs 1-hexyl 3-methylimidazolium bromide ([HMIM]Br) and 1-ethyl 3-methylimidazolium ethyl sulfate ([EMIM]ES) were synthesized. In the region of ambient temperature up to 105 °C, significant features including viscosity, electrical conductivity, and electrochemical tests were investigated. The symmetric ECs in imidazolium-based electrolytes, which display exceptional electrochemical stability at a maximum voltage of up to 3.5 V, deliver high energy. At room temperature, the specific capacitance of the electrolyte containing IL [HMIM]Br drops to 87 F g−1 (with an energy density of 37 Wh kg−1) from 174 F g−1 (with an energy density of 74 Wh kg−1) under 105 °C. In addition, the supercapacitor made using IL [HMIM]Br retained 90.6% of its capacity up to 10,000 cycles at 105 °C. The findings have significant ramifications for extending the use of eco-friendly, non-toxic, and affordable electrolytes for high-performance ECs with broad voltage windows and improved longevity. [ABSTRACT FROM AUTHOR]

The quantitative measurement of urinary biomarkers in wastewater has emerged as a robust tool for estimating alcohol and tobacco consumption in populations. In this study, we applied the wastewater‐based epidemiology (WBE) approach to compare alcohol and tobacco use between university students and urban inhabitants in Ho Chi Minh City, Vietnam. Ethyl sulfate and cotinine serve as markers for alcohol and tobacco use, respectively. Our findings reveal that urban inhabitants aged 15 and above consume 1.56 ± 0.23 mL of pure ethanol and 2.8 ± 0.33 mg of nicotine per day, while university students consume 0.69 ± 0.13 mL of pure alcohol and 1.2 ± 0.2 mg of nicotine per day. This indicates that, on average, students consume less alcohol and tobacco compared with urban adults. A Monte Carlo simulation indicated that, on average, university students in our study smoke 1.5 cigarettes per day, while urban residents aged 15 and above smoke 4.3 cigarettes per day. Considering the smoking prevalence, a student smoker in this study consumes 6.5 cigarettes per day, a level high enough to establish addiction. On the other hand, alcohol use estimation is significantly lower than previous survey‐based reports, likely due to degradation within on‐site septic tanks. Future research should aim to extend the sampling period to capture seasonal variations and improve the understanding of tobacco and alcohol consumption patterns. The results from this study are crucial for decision‐makers in Ho Chi Minh City to develop effective public health strategies and interventions. Practitioner Points: Wastewater‐based approach is applicable to estimate the tobacco consumption in Ho Chi Minh City.Each current smoker in the urban area of Ho Chi Minh City smokes nearly a package a day.The estimated consumption for student smokers in U‐town is 6.5 cigarettes per day, a level high enough to establish addiction.The existence of septic tanks within Vietnam's drainage systems prevents reliable estimation of alcohol consumption for the entire population. [ABSTRACT FROM AUTHOR]

Background: About 95% of consumed ethanol is metabolized by oxidative pathways. Less than 1% is metabolized via nonoxidative pathways: glucuronidation, sulfation, and the formation of fatty acid esters of ethanol. In neonates, the glucuronidation pathway has been reported to be underdeveloped but matures with age. This work compared the test results of patients' random urine samples submitted to our facility for ethyl glucuronide (EtG) and ethyl sulfate (EtS) measurements across pediatric and adult populations. Methods: Test results (n = 63 498) from urine samples tested for EtG and EtS by quantitative liquid chromatography-tandem mass spectrometry at our facility were utilized for this study. EtG and EtS concentrations were compared across the age partitions 0 to 17 years (pediatric), 18 to 80 years (adult), and 81 to 100 years (geriatric). Eight pediatric patients from a tertiary academic hospital contributed clinical context via abstracted clinical information. Results: Across the individual age partitions, 60% to 65% of patients had both EtG and EtS present in urine. Approximately 5% to 10% of patients had only EtG, and 25% to 35% had neither metabolite present. The lowest percentages (<1.5%) had EtS present in the absence of EtG. Markedly, no pediatric patients had only EtS present; compared to the adult population, this was statistically significant (Fisher exact test, P = 0.025). Conclusions: From the data presented in this work, EtG is more prevalent relative to EtS in urine samples of patients assessed for ethanol exposure. [ABSTRACT FROM AUTHOR]

Condensation of chloromethyl chlorosulfate (1) with alkyl 1,3‐keto esters under phase‐transfer catalysis (PTC) conditions led to methylene bridged bis‐acetoacetates through a sequential chloromethylation‐β‐elimination‐Michael addition process. The latter compounds further evolved towards polyfunctional dihydrofuran and tetrahydropyran derivatives by competitive chloromethylation/chlorination reaction. In aprotic organic solvent, chlorination of the methylene active group is the main process and proceeded by reaction of the enolate of acetoacetate with the chlorine atom bound to the sulfonyl group of 1. The reactivity of some other active methylene compounds under PTC conditions was investigated. Acetylacetone reacted similarly to ethyl acetoacetate providing O‐heterocycles while ethyl cyanoacetate gave diethyl 2,4‐dicyanoglutaric acid diethyl ester together with 2‐diethyl 1,2‐dicyanocyclopropane‐1,2‐dicarboxylate. A plausible reaction mechanism is proposed whose the key feature is the competitive halogenation/chloromethylation of the intermediate methylene bridge dimeric active methylene compounds followed by intramolecular cyclization. [ABSTRACT FROM AUTHOR]

​​​​​​​As a crucial constituent of fine particulate matter (PM2.5), secondary organic aerosols (SOAs) influence public health, regional air quality, and global climate patterns. This paper highlights the use of hydrophilic interaction liquid chromatography (HILIC) which effectively retains strongly polar analytes that might exhibit incomplete or no retention in reverse chromatography, resulting in superior separation efficiency. A HILIC column was used to analyze six standards, environmental standards (1648a and 1649b), and samples collected in urban environments in Guangzhou in the Pearl River Delta region, which serve as valuable reference points for evaluating the organic composition of the atmospheric environment. The results indicate a high degree of accuracy in the analytical method. Sodium octyl- d17 sulfate serves as the internal standard, with a linear correlation coefficient of the six standards, boasting a linear correlation coefficient r ranging from 0.993–0.9991 and a slope, k , of the linear equation from 0.966–1.882. The instrument detection limits (IDLs) are established at 0.03–0.20 µgmL-1 , while the method detection limits (MDLs) fall within the range of 0.30–1.75 ngm-3 , demonstrating the method's exceptional sensitivity. Since isoprene-derived organosulfates (iOSs) are highly polar due to containing a hydrophilic bond to the hydroxyl group and a hydrophobic bond to the sulfate, and as such showed strong retention using this method, this technique employs sodium ethyl sulfate and sodium octyl sulfate standards for semi-quantitative compound analysis of iOSs. The error in sample analysis (EA) ranged from 12.25 %–95.26 %, and the two standards maintained a consistent recovery rate between 116 %–131 % and 86.4 %–127 %. These findings indicate a high level of precision when semi-quantifying compounds with similar structural characteristics, affirming the analysis method's minimal relative error and underscoring its repeatability, process stability, and the reliability of its results for iOSs. To enhance the method's reliability assessment, the study analyzed polar organic components of standard particulate matter samples (1648a and 1649b), providing precise determinations of several iOSs using this method. Methyltetrol sulfate (m/z 215, C5H11SO7-) is the highest concentration in the ambient samples, up to 67.3 ngm-3 in the daytime. These results serve as valuable reference points for assessing the organic composition of the atmospheric environment. [ABSTRACT FROM AUTHOR]

Organisch–anorganische Heterostrukturen spielen eine zentrale Rolle in modernen elektronischen und optoelektronischen Anwendungen. Dazu gehören Photodetektoren und Feldeffekttransistoren sowie die Umwandlung von Solarenergie mithilfe von Photoelektroden für Farbstoffsolarzellen, photoelektrochemischen Zellen und organischen Photovoltaiksystemen. Die Leistung solcher Systeme wird zu großen Teilen durch die Dynamik des Ladungstransfers an und zwischen (inneren) Grenzflächen, z. B. zwischen einem Halbleiter mit großer Bandlücke und molekularen Sensibilisatoren und/oder Katalysatoren, bestimmt. Daher ist ein detailliertes Verständnis der Beziehung zwischen Struktur, Dynamik und Funktion solcher funktionalen Grenzflächen notwendig, um mögliche Limitationen der Leistungsfähigkeit dieser Materialien und Systeme auf molekularer Ebene zu erklären. Die Summenfrequenzspektroskopie (SFS) als grenzflächenempfindliche Technik ermöglicht es, spezifische chemische Informationen über Grenzflächen zu erhalten. Wird diese in ein Anregungs‐Abfrage‐Schema integriert, liefert sie neben solchen chemischen Erkenntnissen eine ultraschnelle Zeitauflösung. Dieser Mini‐Review‐Artikel diskutiert die Vorteile und das Potenzial der SFS für die Untersuchung von Ladungstransferdynamiken an Grenzflächen und von strukturellen Veränderungen an inneren Grenzflächen. Es wird ein wichtiger Beitrag dieser einzigartigen spektroskopischen Einblicke in ansonsten unzugängliche Grenzflächen vorgestellt, der, so hoffen wir, neue Wege für ein besseres Verständnis der funktionsbestimmenden Prozesse in komplexen Materialien aufzeigt. Damit sollen Gemeinschaften, die sich dem Design von Materialien und Bauteilen widmen, mit Spektroskopikern zusammengebracht werden. [ABSTRACT FROM AUTHOR]

Over the past three decades, the synthesis of new ionic liquids (ILs) and the expansion of their use in newer applications have grown exponentially. From the beginning of this vertiginous period, it was known that many of them were hygroscopic, which in some cases limited their use or altered the value of their measured physical properties with all the problems that this entails. In an earlier article, we addressed the hygroscopic grade achieved by the ILs 1-ethyl-3-methylimidazolium chloride, 1-ethyl-3-methylimidazolium bromide, 1-ethyl-3-methylimidazolium methyl sulfate, 1-ethyl-3-methylimidazolium ethyl sulfate, 1-ethyl-3-methylpyridinium ethyl sulfate, 1-ethyl-3-methylimidazolium tosylate, 1-ethyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylimidazolium tetrafluoroborate, 1-dodecyl-3-methylimidazolium tetrafluoroborate, 1-butyl-3-methylpyridinium tetrafluoroborate, 1-butyl-1-methylpiperidinium bis(trifluoromethyl sulfonyl)imide, 1-methyl-1-propylpyrrolidinium bis(trifluoromethyl sulfonyl)imide, 1-butyl-1-methylpyrrolidinium bis(trifluoromethyl sulfonyl)imide, and methyl trioctyl ammonium bis(trifluoromethyl sulfonyl)imide. The objective was to determine the influence of the chemical nature of the compounds, exposed surface area, sample volume, agitation, and temperature. For this purpose, we exposed the samples to abrupt increases in relative humidity from 15 to 100% for days in an atmosphere chamber and then proceeded with the reverse process in a gentle manner. The results show that the sorption of water from the atmosphere depends on the nature of the IL, especially the anion, with the chloride anion being of particular importance (chloride ≫ alkyl sulfates~bromide > tosylate ≫ tetrafluoroborate). It has also been proven for the EMIM-ES and EMIM-BF4 samples that the mechanism of moisture capture is both absorption and adsorption, and that the smaller the exposed surface area, the higher the ratio of the mass of water per unit area. [ABSTRACT FROM AUTHOR]

A series of novel oxadiazole functionalized pyridopyrimidine derivatives prepared starting from 6‐methyl/ethyl‐2‐oxo‐4‐(trifluoromethyl)‐1,2‐dihydropyridine‐3‐carbonitrile 1. This compound 1 on reaction with sulfuric acid obtained compound 2, further compound 2 on reaction with chloroacetamide followed by reaction with ethoxy methylene malonic diethyl ester coupling and further cyclization to obtain compound 5. Compound 5 on reaction with hydrazide hydrate obtained hydrazide derivatives 6. Compound 6 on reaction with diverse substituted aromatic acids to get oxadiazole derivatives 7a–l. All the final compounds 7a–l evaluated for anticancer activity against four human cancer cell lines such as HeLa—cervical cancer (CCL‐2); COLO 205—colon cancer (CCL‐222); HepG2—liver cancer (HB‐8065); and MCF7—breast cancer (HTB‐22) and promising compounds 7d and 7k have been identified and evaluated for molecular docking interactions. [ABSTRACT FROM AUTHOR]

Ethanol exposure during pregnancy is an important problem and is the cause of fetal alcohol syndrome (FAS) and fetal alcohol spectrum disorder (FASD). The etiology of FAS and FASD can be elucidated using animal models. Recently, a novel model, the zebrafish (Danio rerio), has garnered the interest of researchers. This study confirmed the negative influence of ethyl alcohol (0.5 %, 1.5 %, and 2.5 % v/v) on the development of zebrafish embryos. The observed malformations included pericardial and yolk sac edema, increased body curvature, tail edema, and a decreased embryo hatching rate. The differences in body length, body width, and heart rate were statistically significant. Due to the similarities in the quantity and function of ethanol biotransformation enzymes between zebrafish and mammals, this study investigated the nonoxidative metabolites of ethanol – ethyl glucuronide (EtG) and ethyl sulfate (EtS) – in zebrafish following ethanol exposure. This research confirmed that EtG and EtS concentrations can be measured in zebrafish embryos, and the levels of these metabolites appear to be associated with the ethyl alcohol concentration in the medium. • The toxic effect of ethanol on zebrafish embryos has been confirmed. • Non-oxidative metabolites have been observed following the exposure of embryos to ethanol. • EtG and EtS amount in zebrafish embryos seemed to be associated with ethanol concentration. [ABSTRACT FROM AUTHOR]

In this research, a novel Brønsted-acidic ionic liquid 1,3-(4,4′-bipyridinium disulfonic acid)-propane-dihydrogen sulfate (BPDSPDH) was synthesized as a bi-functional catalyst. BPDSPDH was characterized using various analytical techniques such as FTIR, TGA, 13CNMR, 1HNMR, and mass spectrometry. Afterward, the catalytic ability of BPDSPDH was explored in the synthesis of chromeno[4,3-b]chromene and pyrido[2,3-d:6,5-d′]dipyrimidine derivatives. BPDSPDH is an ionic liquid catalyst with advantages such as having a high catalytic activity due to its acidic and basic sites, the use of affordable and easily accessible starting materials for catalyst production, recyclability of the catalyst up to 4 times without significant loss in catalytic activity, short reaction time, high yields and moderate reaction conditions. [ABSTRACT FROM AUTHOR]

This document provides information on the synthesis and characterization of several quinolin-4(1H)-one derivatives. The compounds were synthesized using various reactions and purified using chromatography. The physical properties, such as melting point and solubility, were determined for each compound. Additionally, spectroscopic techniques, including FTIR and NMR, were used to analyze the chemical structure of the compounds. The results of these analyses are provided, including the chemical shifts and peak intensities observed in the NMR spectra. The compounds are intended for further study. [Extracted from the article]

Microbial proteases have been preferred over animal and plant proteases because of their basic properties and ease of production. Bacillus subtilis SFL, an alkaline-thermal protease-producing bacterium was isolated from different sources of wastewater and identified using morphological, biochemical, and molecular methods. The 16S rDNA sequence has been deposited in GenBank with accession number OP714187. Partial purification of alkaline protease was performed by two method (ammonium sulfate preciptation and organic solvent preceptation) precipitation by 60% ammonium sulfate and ethyl acetate by the ratio (1:1) and column chromatography (gel filtration) by using a sephadex G-100. The partially purified alkaline-thermal protease of Bacillus subtilis SFL was at stable 40°C and pH 8.0. Our results show that 40 g/l of meat extract and 12 g/l of xylose serve as the best nitrogen and carbon sources respectively for the production of this enzyme. The effect of tested metal ions indicated that Mg+2, Ca+2, Na+, Fe+2, Cu+2, Co+2 and Cd+2 inhibited the activity of the protease from Bacillus subtilis SFL. The crude and partially purified protease from B. subtilis SFL substantially degraded red blood cells, distained blood color, dehaired cow skin and decomposed cow hair. [ABSTRACT FROM AUTHOR]

As a crucial constituent of fine particulate matter (PM2.5), secondary organic aerosols (SOA) influence public health, regional air quality, and global climate patterns. This paper highlights the use of Hydrophilic interaction liquid chromatography (HILIC) which effectively retains strongly polar analytes that might exhibit incomplete or no retention in reverse chromatography, resulting in superior separation efficiency. A HILIC column was used to analyze 7 standards, environmental standards (1648a and 1649b), and samples collected in urban environments in the Pearl River Delta region of Guangzhou. That serve as valuable reference points for evaluating the organic composition of the atmospheric environment. The results indicate a high degree of accuracy in the analytical method, sodium octyl-d17 sulfate serves as the internal standard, with a linear correlation coefficient of the 7 standards, boasting a linear correlation coefficient R ranging from 0.987-0.999 and a slope, k, of the linear equation from 0.9662-2.2927. The instrument detection limit (IDLs) is established at 0.0026-0.0300 µg mL-1, while the method detection limit (MDLs) falls within the range of 0.0077-0.2300 ng m-3, demonstrating the method's exceptional sensitivity. Since isoprene sulphates are highly polar due to containing a hydrophilic bond to the hydroxyl group and a hydrophobic bond to the sulphate, and as such showed strong retention using this method. This technique employs Sodium ethyl sulfate and Sodium octyl sulfate standards for semi-quantitative compound analysis isoprene-derived OSs, the error in sample analysis (EA) ranged from 12.25-95.26% and the two standards maintaining a consistent recovery rate between 116%-131% and 86%-127%. These findings indicate a high level of precision when semi-quantifying compounds with similar structural characteristics, affirming the analysis method's minimal relative error and underscoring its repeatability, process stability, and the reliability of its results for isoprene OSs. To enhance the method's reliability assessment, the study analyzed polar organic components of standard particulate matter samples (1648a and 1649b), providing precise determinations of several isoprene OSs using this method. Methyltetrol sulfate (m/z 215) is the highest concentration in the ambient samples, up to 67.33 ng m-3 at daytime. These results serve as valuable reference points for assessing the organic composition of the atmospheric environment. [ABSTRACT FROM AUTHOR]

A number of {[4-(diethoxyphosphoryl)-2-R-1,3-oxazol-5-yl]amino}alkyl methanesulfonates were synthesized and the peculiarities of their reaction with triethylamine were studied. The influence of the structure of the 5-alkanolamine substituent on the efficiency of their transformation into 7-R-1-ethoxy-5-methyl-1,3,4,5-tetrahydro-1λ5-[1,3]oxazolo[4,5-c][1,5,2]oxazaphosphepine-1-ones was clarified. The structure of the [1,3]oxazolo[4,5-c][1,5,2]oxazaphosphepine derivatives has been reliably proven by elemental analysis, IR, 1H, 13C, and 31P NMR spectroscopy (including 1D and 2D experiments), mass spectrometry and single crystal X-ray diffraction. The oxazole cycle in [1,3]oxazolo[4,5-c][1,5,2]oxazaphosphepines is easily cleaved by water in an acidic environment, which leads to the formation of derivatives of the new heterocyclic system – N-(2-ethoxy-5-methyl-2-oxido-4-oxo-1,5,2-oxazaphosphepan-3-yl)arylamides. [ABSTRACT FROM AUTHOR]

Excessive drinking and drunkenness are underlying factors in many fatal accidents, which make the quantitative determination of ethanol in postmortem (PM) specimens an essential part of all unnatural death investigations. The same analytical methods are used to determine ethanol in blood taken from living and deceased persons although the interpretation of the results is more complicated in medical examiner cases owing to various preanalytical factors. The biggest problem is that under anaerobic conditions ethanol can be produced naturally in decomposed bodies by microbial activity and fermentation of blood glucose. Ways are needed to differentiate antemortem ingestion of ethanol from PM synthesis. One approach involves the determination of ethanol in alternative specimens, such as bile, cerebrospinal fluid, vitreous humor and/or urine, and comparison of results with blood alcohol concentration (BAC). Another approach involves the analysis of various alcohol biomarkers, such as ethyl glucuronide, ethyl sulfate and/or phosphatidylethanol or the urinary metabolites of serotonin 5-hydroxytryptophol/5-hydroxyindoleacetic acid (5-HTOL/5-HIAA). If ethanol had been produced in the body by microbial activity, the blood samples should also contain other low-molecular volatiles, such as acetaldehyde, n -propanol and/or n -butanol. The inclusion of 1–2% w/v sodium or potassium fluoride, as an enzyme inhibitor, in all PM specimens is essential to diminish the risk of ethanol being generated after sampling, such as during shipment and storage prior to analysis. Furthermore, much might be gained if the analytical cut-off for reporting positive BAC was raised from 0.01 to 0.02 g% when PM blood is analyzed. During putrefaction low BACs are more often produced after death than high BACs. Therefore, when the cadaver is obviously decomposed, a pragmatic approach would be to subtract 0.05 g% from the mean analytical result. Any remaining BAC is expected to give a more reliable indication of whether alcohol had been consumed before death. [ABSTRACT FROM AUTHOR]

The vanadium(V) oxide xerogels are synthesized by chemical bath deposition using aqueous solutions of NH4VO3 and diethyl sulfate. XRD and IR have been used for the characterization of the composition of the prepared precipitates. The concentration, temperature, and precipitation speed influence were analyzed. A large number of experiments have been made with the powders obtained at different ammonium metavanadate concentrations solutions, with the same volume of diethyl sulfate, at two working temperatures, 80 and 90 °C. The obtained results showed that at higher concentrations of ammonium metavanadate, as well as at higher temperatures, faster precipitation occurs. According to XRD and IR results synthesized precipitates are pure V2O5 xerogels, but at higher concentrations of the solutions, the second phase is obtained. Also, the influence of ethyl alcohol on the composition and time of precipitation of the synthesized precipitates was investigated in the metavanadate system with different concentrations of ammonium metavanadate and diethyl sulfate. It was found that the presence of alcohol in the chemical bath does not affect the composition of the xerogel at higher concentrations, but it influences the speed of the precipitation. The results of precipitates prepared at lower concentrations with ethanol showed the presence of a second phase in the composition, which cannot be seen in the composition of the sample prepared without ethanol at the same concentration of ammonium metavanadate. [ABSTRACT FROM AUTHOR]

Wilt caused by Fusarium oxysporum f. sp. ciceris (Padwick) is an important soil-borne disease and considered as most serious and widespread disease of chickpea throughout the world. Twenty indigenous isolates of Trichoderma spp. were isolated from the rhizosphere of chickpea in different geographic regions of Karnataka. Among twenty isolates, a higher concentration of volatile compounds was produced by TR-14 (72.22%) followed by TR-19 (66.67%) and TR-9 (65.93%). Further, the efficient strain that is TR-14 was identified as Trichoderma asperellum molecularly and was used to extract metabolites by using solvent extraction technique and subjected to GC-MS/MS analysis. The results have shown presence of twenty-nine compounds at different retention times ranging from 4.910 to 21.868 min. and the mass-tocharge (m/z) ratio from 43 to 190. Out of twenty-nine compounds, the concentration of 2-Imidazol-1-ylmethyl-pyridine 1-oxide (C9H9N3O) was highest with the maximum area (14375440) and retention time (19.842). Apart from this compound, 7-Isopropylidene-5-methyl-2, 3-diazabicyclo (2.2.1) hept-5-ene-2,3 dicarboxylic acid, diethyl ester was present at the highest peak with a retention time of 20.021. [ABSTRACT FROM AUTHOR]

The study was to efficiently degrade lignocellulose, ligninase high-producing strains were screened and bred by mutation and genome rearrangement. Phanerochaete chrysosporium was used as an original strain and treated with atmospheric room temperature plasma (ARTP) and diethyl sulphate (DES). Mutant strains with higher enzyme productivity were screened by the combination of aniline blue decolorization circle method and guaiacol color circle method and used as starting strains for genome shuffling. Through two rounds of genome rearrangement and genetic stability test. The results showed that the high-yield lignin enzyme fusion PR2-24 was obtained, and its lignin peroxidase activity, manganese peroxidase activity and laccase activity were 11.34, 88.35 and 10.82 U/mL respectively, which were 181%, 171% and 203% higher than those of the original strain. The results showed that the high-yield lignin enzyme strains screened by the test provided a reference for the research and development of microecological feed additives. [ABSTRACT FROM AUTHOR]

Purpose: Ethyl glucuronide (EtG), ethyl sulfate (EtS) and phosphatidylethanol (PEth) are considered specific direct biomarkers for detecting alcohol consumption. However, PEth, which is produced in red blood cells (RBC), varies considerably between patients for unknown reasons. We here studied various confounders of PEth elimination including fibrosis after alcohol withdrawal.Patients and Methods: EtG, EtS and PEth together with routine laboratory and clinical parameters were studied in 100 Caucasian heavy drinkers prior and after alcohol detoxification. In addition, fibrosis stage and degree of steatosis were assessed by transient elastography (Fibroscan, Echosens, Paris).Results: All three biomarkers were highly correlated (0.61– 0.72) with initial serum alcohol levels, but only PEth correlated with daily alcohol consumption. After alcohol withdrawal, PEth significantly decreased within 6.1 days from 1708 to 810 ng/mL (half-life varied from 1.6 to 15.2 days). Both levels of serum alcohol but also EtG and EtS were higher in patients with liver cirrhosis as compared to patients without fibrosis despite comparable alcohol consumption suggesting a decreased alcohol elimination in patients with cirrhosis. PEth was also elevated in cirrhosis but not significantly. In contrast, PEth elimination rate was significantly higher in patients with enhanced RBC turnover and signs of alcohol-mediated hemolytic anemia with elevated ferritin, LDH and increased mean corpuscular volume (MCV).Conclusion: We here demonstrate that alcohol elimination is decreased in patients with liver cirrhosis. In patients with cirrhosis, PEth levels are both affected in opposite directions by enhanced red blood cell turnover and elevated alcohol levels. Our data have important implications for the use and interpretation of PEth in the clinical setting. [ABSTRACT FROM AUTHOR]

[45][46][47] Herein, we report a visible-light-induced C(3) difluoroalkylation of quinoxalin-2(1 I H i )-ones B 1 b with these difluoroiodane(III) reagents under catalyst-free conditions (Scheme 1, equation 7). The readily accessible reagents and the mild reaction conditions make this reaction an alternative and practical strategy for the synthesis of C3-difluoroalkylated quinoxalin-2(1 I H i )-ones. Keywords: difluoroalkylation; quinoxalinones; hypervalent iodine reagents; photocatalysis; catalyst-free reaction EN difluoroalkylation quinoxalinones hypervalent iodine reagents photocatalysis catalyst-free reaction 2037 2041 5 10/09/23 20231024 NES 231024 Graph Quinoxalin-2(1 I H i )-ones have been recognized as a privileged class of structural motifs existing in various bioactive natural products and pharmaceutical compounds. Difluoroalkylation, quinoxalinones, hypervalent iodine reagents, photocatalysis, catalyst-free reaction. [Extracted from the article]

A regioselective fluoromethylation by ring‐opening of cyclic sulfamidates and sulfates with α‐fluorocarbanions and subsequent reductive desulfonylation is developed. Fluorobis(phenylsulfonyl)methane (FBSM) was explored as fluoromethide equivalent and the reaction was extended to the α‐fluorocarbanion of ethyl 2‐fluoroacetoacetate. This approach allows access to γ‐ and δ‐fluoroamines as well as γ‐ and δ‐fluoroalcohols in high yields. [ABSTRACT FROM AUTHOR]

Twelve novel neo-tanshinlactone-chalcone hybrid molecules were constructed through a versatile methodology involving the Horner-Wadsworth-Emmons (HWE) olefination of 4-formyl-2H-benzo [h]chromen-2-ones and phosphonic acid diethyl esters, as the key step, and evaluated for anticancer activity against a series of four breast cancers and their related cell lines, viz. MCF-7 (ER + ve), MDAMB-231 (ER-ve), HeLa (cervical cancer), and Ishikawa (endometrial cancer). The title compounds showed excellent to moderate in vitro anti-cancer activity in a range of 6.8-19.2 μM (IC50). Compounds 30 (IC50 = 6.8 μM and MCF-7; IC50 = 8.5 μM and MDA-MB-231) and 31 (IC50 = 14.4 μM and MCF-7; IC50 = 15.7 μM and MDA-MB-231) exhibited the best activity with compound 30 showing more potent activity than the standard drug tamoxifen. Compound 30 demonstrated a strong binding affinity with tumor necrosis factor α (TNF-α) in molecular docking studies. This is significant because TNFα is linked to MCF-7 cancer cell lines, and it enhances luminal breast cancer cell proliferation by upregulating aromatase. Additionally, virtual ADMET studies confirmed that hybrid compounds 30 and 31 met Lipinski's rule; displayed high bioavailability, excellent oral absorption, favorable albumin interactions, and strong penetration capabilities; and improved blood-brain barrier crossing. Based on the aforementioned results, compound 30 has been identified as a potential anti-breast cancer lead molecule. [ABSTRACT FROM AUTHOR]

The fundamental physical properties including density, viscosity and refractive index have been measured for binary mixtures of four fatty acid ethyl esters mixed with diethyl carbonate (DEC) over the entire composition range at temperatures T = (293.15 to 323.15) K and normal atmospheric pressure. The values of excess molar volume, viscosity deviation and refractive index deviation are calculated and the effects of temperature and composition on the variation of excess properties are discussed. All of the values of excess molar volume and refractive index deviation are observed to be positive and the values of viscosity deviation are negative. The excess or deviation properties have also been evaluated and fitted to the Redlich–Kister equation with satisfied results. [ABSTRACT FROM AUTHOR]

The chemical stability of the electrogenerated radical anion of N‐(aminobenzyl) phthalimide 1 in aprotic organic media at room temperature is reported in this work. The redox couples 1/1⋅− and its imine precursor 2/2⋅− can carry out reductive redox catalysis of benzyl or allyl halides indirectly. This reaction gives easy access to reactive alkyl radicals, which in the presence of diethyl fumarate yields 2‐benzylsuccinate diethyl ester in moderate yields; this reaction is unattainable by direct electrochemical reduction. Spin density calculations at the DFT level of theory showed that the spin density of 1⋅− and 2⋅− is located on the phtalimide ring, and a dimeric association was evidenced (Eint=23.47 kcal/mol and Eint=80.42 kcal/mol respectively), via π−π stacking interactions. The redox mediators presented here showed good functional group selectivity, redox potential tunability and easy preparation from readily available commercial materials with excellent yields. [ABSTRACT FROM AUTHOR]

Uncaria callophylla Blume ex Korth. is a wild plant species belonging to the Rubiaceae family. These plants thrive in the peat swamp forest of Kalimantan, Indonesia. The stems of Uncaria callophylla have been used by the Dayak Ngaju tribe to treat various diseases and to restore stamina while they work in the forest. The present study was conducted to identify the secondary metabolites in the methanolic extract of Uncaria callohylla stems to increase the knowledge about this plant and its potential in medicinal applications and drug discovery. The analysis was conducted using GC-MS and LC-MS/MS. GC-MS analysis was performed with the Agilent Technologies 7890 Gas Chromatography equipped with an Auto Sampler and 5975 Mass Selective Detector. The LC-MS analysis was carried out in the C18 column of the Waters Acquity UPLC system. MS analysis was performed with an electrospray ionization source (ESI) in positive and negative ion modes, and the compounds were identified using a UNIFI data processor with a mass spectrum library of natural active substances from the Waters Traditional Medical Scientific Library database based on UPLC/QTof MSE Data Acquisition. GC-MS analysis revealed the presence of 24 peaks, and nine of them showed quality 90% or higher, namely n-Hexadecanoic acid (16.63%), 1,3,7-Trimethyl-3,7-Dihydro-1H-Purine-2,6-Dione (13.07%), Hexadecanoic Acid, Methyl Ester; 1,2-Benzenedicarboxylic Acid, Diethyl Ester; 9,12-Octadecadienoic Acid, Methyl Ester; Methyl 14-Methylheptadecanoate; (9E,12E)-9,12-Octadecadienoic Acid; Z, E-3,13-Octadecadien-1-o1; and 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexanethyl-, (all-E)-. LC-MS/MS analysis revealed the presence of five compounds, namely Arecatannin A1, Sweroside_2, Uncarine A, Epianhydrobelachinal, and Betulonic acid. All the secondary metabolites identified from GC-MS and LC-MS/MS analysis have biological activity, which indicates their medicinal potencies. From the result, it can be concluded that Uncaria callophylla stem methanolic extract contains various bioactive compounds justifies its traditional use, and therefore it can be developed further for new drug discovery. [ABSTRACT FROM AUTHOR]

Whisky, brandy, rum, and Chinese baijiu are popular distilled spirits globally, and the volatile components play an essential role in the aroma of these distilled liquors. Volatile compounds in whisky, brandy, rum, and three main aroma types of Chinese baijiu (strong, light, and sauce) were investigated using comprehensive two‐dimensional gas chromatography‐time‐of‐flight mass spectrometry (GC×GC–TOFMS). Two significant variable detection approaches, the variable importance in the projection (VIP) and nonparametric test (Mann–Whitney U test), were compared to determine the volatile markers among these samples. It was found that the VIP model was more efficient in screening significant variants than the U test. A total of 117 common markers were selected by both the VIP and U test methods with potential aroma contributions. Esters and acids were the main aroma markers for baijiu, diethyl esters were the main aroma markers for brandy, whereras pyrazines, lactones, and furans were the main aroma markers for whisky. Based on the chosen markers, different unknown distilled liquors were successfully classified in the model validation. This study provided a feasible methodology for spirit sample speculation based on volatile composition obtained by GC×GC‐TOFMS. [ABSTRACT FROM AUTHOR]

Traditional technology of cell disruption has become one of the bottlenecks restricting the industrialization of genetic engineering products due to its high cost and low efficiency. In this study, a novel bioprocess of phage lysis coupled with salting‐out extraction (SOE) was evaluated. The lysis effect of T7 phage on genetically engineered Escherichia coli expressing κ‐carrageenase was investigated at different multiplicity of infection (MOI), meanwhile the phage and enzyme released into the lysate were separated by SOE. It was found that T7 phage could lyse 99.9% of host cells at MOI = 1 and release more than 90.0% of enzyme within 90 min. After phage lysis, 87.1% of T7 phage and 71.2% of κ‐carrageenase could be distributed at the middle phase and the bottom phase, respectively, in the SOE system composed of 16% ammonium sulfate and 20% ethyl acetate (w/w). Furthermore, κ‐carrageenase in the bottom phase could be salted out by ammonium sulfate with a yield of 40.1%. Phage lysis exhibits some advantages, such as mild operation conditions and low cost. While SOE can efficiently separate phage and intracellular products. Therefore, phage lysis coupled with SOE is expected to become a viable alternative to the classical cell disruption and intracellular product recovery. [ABSTRACT FROM AUTHOR]

This study presents the results from the measurements and further analysis of densities and viscosities of pure 1-ethyl-3-methylimidazolium ethyl sulfate, EMISE, and its binary mixtures with ethylene glycol, EG, over the entire composition range. Measured at atmospheric pressure from 293.15 to 343.15 K. A first-order polynomial equation was fitted to experimental density values of the EMISE + EG binary mixtures, whereas Vogel-Fulcher-Tammann (VFT) equation was used to fit viscosity data. Volumetric and excess properties have been determined. The excess molar volumes and viscosity deviations were correlated by the Redlich–Kister polynomial equation. Additionally, several selected semi-empirical viscosity models for EMISE + EG binary mixtures were tested, and coefficients were obtained. The thermal expansion coefficients of EMISE + EG binary mixtures were calculated. The intermolecular interactions between components were discussed. The results showed that in addition to the intermolecular interactions between components, packing effects due to the molecular size caused changes in properties. [ABSTRACT FROM AUTHOR]

The modification of the methyl group of 4′-(p-tolyl)-2,2′:6′,2″-terpyridine produced the novel unnatural amino acid 3-(4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)-2-aminopropanoic acid (phet). Mononuclear heteroleptic ruthenium complexes of the general formulae [Ru(L1)(L2)](PF6)2 (L1 = 2-acetylamino-2-(4-[2,2′:6′,2″]terpyridine-4′-yl-benzyl)-malonic acid diethyl ester, (phem), 3-(4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)-2-aminopropanoic acid, (phet), and L2 = 2,2′:6′,2″-terpyridine (tpy), 4′-phenyl-2,2′:6′,2″-terpyridine (ptpy), 4′-(p-tolyl)-2,2′:6′,2″-terpyridine (mptpy)), as well as the homoleptic [Ru(phem)2](PF6)2 and [Ru(phet)2](PF6)2, were synthesized and characterized by means of NMR spectroscopic techniques, elemental analysis, and high-resolution mass spectrometry. The photophysical properties of the synthesized complexes were also studied. [ABSTRACT FROM AUTHOR]

With aging, human lenses lose the ability to focus on nearby objects due to decreases in accommodative ability, a condition known as presbyopia. An increase in stiffness or decrease in lens elasticity due to protein aggregation and insolubilization are the primary reasons for presbyopia. In this study, we tested aggrelyte-1 (S,N-diacetyl glutathione diethyl ester) for its ability to promote protein solubility and decrease the stiffness of lenses through its dual property of lysine acetylation and disulfide reduction. Treatment of water-insoluble proteins from aged human lenses (58–75 years) with aggrelyte-1 significantly increased the solubility of those proteins. A control compound that did not contain the S-acetyl group (aggrelyte-1C) was substantially less efficient in solubilizing water-insoluble proteins. Aggrelyte-1-treated solubilized protein had significant amounts of acetyllysine, as measured by Western blotting and LC-MS/MS. Aggrelytes increased the protein-free thiol content in the solubilized protein. Aged mouse (7 months) and human (44–66 years) lenses treated with aggrelyte-1 showed reduced stiffness accompanied by higher free thiol and acetyllysine levels compared with those treated with aggrelyte-1C or untreated controls. Our results suggested that aggrelyte-1 reduced lens stiffness through acetylation followed by disulfide reduction. This proof-of-concept study paves the way for developing aggrelyte-1 and related compounds to reverse presbyopia. [ABSTRACT FROM AUTHOR]

The lack of data on chemical contamination in recycled polyethylene terephthalate (rPET) in food contact applications, impedes the legalization of rPET in food contact applications in China. This study offers a comprehensive analysis of contaminants in hot-washed rPET flakes, identifying 1011 compounds. While most substances were detected infrequently, some i.e., bis(2-ethylhexyl) phthalate and mineral oil aromatic hydrocarbons stood out for their relatively high average concentrations. Limonene emerged as the most frequently detected flavorants. Rare genotoxic compounds like safrole and diethyl sulfate were detected at low levels, emphasizing the importance of adopting a conservative evaluation approach. Molecular descriptor analysis guided the proposal of four new surrogates, i.e., dimethyl pentanedioate, 2-tridecanone, bis(2-ethylhexyl) terephthalate, and 2,2-dimethoxy-1,2-diphenylethanone, for challenge tests, aiming to better capture the chemical diversity of rPET contaminants. This research unveils the contamination profile of Chinese rPET and suggests adjustments to evaluation protocols, potentially facilitating its high-value applications and minimizing potential harms. [Display omitted] [ABSTRACT FROM AUTHOR]

Bentonite fining is one of the generally applied wine-making technological elements that may seriously affect wine components. The aim of this study was (i) to investigate the effect of 21 bentonite products on eight oenological parameters, 19 elements, 21 volatile organic compounds (VOCs) and 10 organoleptic properties of white wine; and (ii) to quantify intercorrelations among the parameters separately for each of the four quality attributes. Among oenological parameters, sugar, acidity, malic-, lactic-, citric acid and total phenol contents were significant among several bentonite products. The amounts of elements were the lowest in the control wine treatments (with exceptions of, e.g., Ni and Cu); and these values were significantly different from several bentonite products. The relative presence of the VOCs was above 100% for most VOCs, but it was below 100% for 1-propanol, 4-amino-1,5-pentandioic acid and butane-dioic acid, and diethyl ester in all treatments. For organoleptic parameters, the values of clearness, colour, flavour intensity and taste persistency was the lowest in the control wine treatment, while the values of flavour character, flavour quality, taste intensity, taste character, and overall harmony were the highest for the bentonite products of AP, EBE, M-SA, EBE, EBE, respectively. Results of correlation and factor analyses showed strong intercorrelative effects of bentonite fining on the four quality attributes. In conclusion, this study can help in the proper choice of a specific bentonite product in relation to complexity effects of bentonite fining. [ABSTRACT FROM AUTHOR]

An experimental study was carried out on the ignition characteristics of the HAN/(Emim)(EtSO4) (hydroxylammonium nitrate and 1-ethyl-3-methyl-imidazolium ethyl sulfate) dual-mode ionic liquid monopropellant in chemical propulsion mode in model thrusters. Firstly, a model thruster with a detachable convergent nozzle was designed and fabricated. Secondly, catalytic ignition experiments at different flow rates were carried out in atmosphere and in high chamber pressure environment, respectively, using a model thruster, with and without the convergent nozzle. During the catalytic ignition process, measurement methods such as thermocouple, pressure sensor, and flue gas analyzer were employed to obtain the temperature at different depths of the catalytic bed, the pressure of the combustion chamber, and the concentration variations of gaseous products CO, CO2, CH4, SO2, NO, and NO2. Then the three characteristic stages of water evaporation, HAN decomposition, and (Emim)(EtSO4) combustion were analyzed at the initiation time, and the reaction characteristics in the process of the catalytic ignition were analyzed. In addition, the composition and concentration of the combustion products at equilibrium were theoretically calculated. The effects of temperature and pressure on the concentrations of five main gaseous products were studied. Finally, the exhaust gas of the three groups of catalytic ignition experiments under different pressure environments was separately collected and measured with gas chromatography (GC) when the experiments approached equilibrium, the result of which roughly agrees with the theoretical calculations. These results are of great significance for exploring the chemical propulsion of the dual-mode ionic liquid propellant and understanding its physical catalytic combustion mechanisms. [ABSTRACT FROM AUTHOR]

Caffeinium‐based surface‐active ionic liquids (SAILs), (1‐(2‐alkanoyl oxy) ethylcaffeinium bromide), [CnEcaf]Br with variable chain length (n=12, 14, 16) were synthesized and their molecular structures were explored by multiple spectral techniques. The critical micelle concentration (CMC) of pure SAILs and their mixtures with sodium dodecyl sulfate (SAIL‐DS) in aqueous solution was determined by employing various techniques at 298 K. The tensiometry and dynamic light scattering (DLS) techniques have been employed to gain insight about the interfacial behavior and aggregate size of cat‐anionic mixtures in aqueous solution. Interestingly, the interaction parameters (X1m,βm ${{{\rm X}}_{1}^{{\rm m}},{\rm \ }{{\rm \beta }}^{{\rm m}}}$) showed strong synergism between these two oppositely charged molecules. Further, it was found that SAIL‐DS cat‐anionic mixtures exhibit excellent adsorption efficacy and are more effective in lowering the surface tension of water as compared to pure SAILs. The DLS results showed the formation of mixed‐size aggregates in SAIL‐DS systems. The contact angle and wetting properties of pure SAILs over the parafilm surface were also determined using a static sessile drop method. Further, MTT assay was used to determine the biocompatibility of SAILs on Human embryonic kidney (HEK‐293) cell line and in‐vitro anti‐cancer activity on Lung cancer cells (A549). These SAILs displayed substantial cytotoxicity against cancerous cells, indicating that they could be useful in a variety of biological applications. [ABSTRACT FROM AUTHOR]

The determination of ethyl glucuronide (EtG) and ethyl sulfate (EtS) in blood has been proposed in clinical and forensic applications to identify recent alcohol consumption. Also, there is a growing interest on the use of dried blood spots (DBS) in toxicological analysis, allowing increased stability of the analytes and simplifying sample transportation and storage. This study presents the development and validation of a method for quantifying EtG and EtS in DBS using ultra-performance liquid chromatography–tandem mass spectrometry (UHPLC–MS-MS). The DBS samples were extracted with a mixture of methanol and acetonitrile (80:20 v/v) and analyzed using UHPLC–MS-MS with electrospray source in negative mode, after separation with a fluoro-phenyl stationary phase. Validation was performed according to the Scientific Working Group for Forensic Toxicology (SWGTOX) guidelines, with calibrations ranging from 0.10 to 18 µg/mL for EtG and 0.02 to 6 µg/mL for EtS. The analytes were stable in DBS stored from −20 to 45°C for 21 days. The method was successfully applied to capillary and venous DBS samples from 20 volunteers after ethanol ingestion and to DBS samples from 99 fatal victims of road traffic injuries. Capillary DBS was comparable to venous DBS and fresh whole blood in Passing–Bablok and Bland–Altman analysis, with correlation coefficients >0.91 (P  < 0.001) for all comparisons. In postmortem application, the DBS EtG and EtS analysis indicated positive exposure to ethanol in 72.7% of the cases (EtG: 0.10–24.0 µg/mL and EtS: 0.03–4.11 µg/mL). The identification of ethanol consumption from blood alcohol concentrations (BACs) and EtG/EtS in DBS was in agreement in 98.6% of positive and 96.3% of negative cases (kappa 0.877, P  < 0.001), indicating a high level of concordance with BAC in assessing alcohol use in postmortem samples. [ABSTRACT FROM AUTHOR]

Three new azomethines based on triphenylamine with two or three substituents were obtained. Chemical structure and purity were confirmed by 1H NMR, FTIR elemental analysis and mass spectroscopy. The investigations were focused on the relationship between chemical structure and properties important for optoelectronic materials. Thus, the studies of thermal, optical and electrochemical properties were carried out based on differential scanning calorimetry, thermogravimetric analysis, electronic absorption, photoluminescence and cyclic voltammetry measurements. The ongoing consideration of experimental results was complemented by theoretical calculations using the density functional theory method. The donor activity of obtained compounds was tested in bulk-heterojuntion photovoltaic cells with structure ITO/PEDOT:PSS/imine:PCBM/Al and ITO/PEDOT:PSS/imine:P3HT:PCBM/Al). The effect of the presence of the amino-thiophene-3,4-dicarboxylic acid diethyl ester groups and various number of hexyloxyphenyl units on imines properties was demonstrated. [ABSTRACT FROM AUTHOR]

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Background: Morinda umbellata L., commonly called as 'Manjanatti Kodi' in Tamilnadu, India, is a rare traditional medicinal plant. The study was aimed to investigate the antioxidant potentiality, phytochemical profiling and elemental mineral analysis of M. umbellata leaves. Materials and Methods: Antioxidant activity was estimated for hexane, chloroform, ethyl acetate, ethanol, methanol and aqueous leaf extracts by DPPH method; identification of phytocompounds by Gas chromatography-mass spectrometry (GC-MS) analysis and elemental mineral estimation by Atomic absorption spectroscopy (AAS) analysis. Results: Antioxidant activity was determined in all the extracts studied, where the maximum 50% inhibitory concentration was registered in ethanolic (17.92±0.04 µg/ml) and methanolic (19.35±0.60 µg/ml) extracts which was four times higher than standard ascorbic acid. About 19 phytocompounds were found in antioxidant rich ethanolic leaf extract by GC-MS analysis. Among the identified phytocompounds, 1,2-Benzenedicarboxylic acid, diethyl ester with a percent area of 94.98%, Guanosine (0.79%), Hexadecanic acid (0.72%), phytol (0.47%) were found to be predominant. The elemental mineral analysis is the first-hand report, that revealed essential elements such as Fe (5.65±0.58 ppm), Zn (0.74±0.05 ppm), Mn (0.46±0.04 ppm), and trace amounts of following non-essential elements (heavy metals) Cu (0.87±0.05 ppm), As (0.002±0.00 ppm), Cd (0.08±0.01 ppm), Pb (0.03±0.00 ppm), Hg (BDL). Conclusion: M. umbellata leaves were proved to possess strong antioxidant property due to an inclusive source of important bioactive components. It was also found to be non-toxic and the plant is a right choice for drug development. Hence, the present outcome provided a reliable scientific frame work, for the exploration of bioactive potentiality with pharmaceutical importance in future studies. [ABSTRACT FROM AUTHOR]

Although kombucha is a popular fermented beverage, the presence of alcohol markers has not been well studied despite being potential indicators of unintentional impairment. Ethyl glucuronide (EtG) and ethyl sulfate (EtS) were measured in oral fluid and urine collected after consumption of regular or hard kombucha. Participants drank within 20 min and provided all urine voids for 12 h, the first urine voids on days 2 and 3 and oral fluid specimens at fixed time points for 48 h. Screening employed liquid chromatography–tandem mass spectrometry (LC–MS-MS; EtS, 25 ng/mL cutoff [oral]; 100 ng/mL cutoff [urine]; EtG, 500 ng/mL cutoff [urine] and immunoassay (IA; EtG, 500 ng/mL cutoff [urine]). After consuming regular kombucha (n  = 12 participants), EtS was not detected in oral fluid but both markers were detected by LC–MS-MS in urine specimens within the first five voids from 83% of participants with median (range) concentrations of 240 (100–3,700) ng/mL for EtS and 830 (530–2,200) ng/mL for EtG. Neither marker was positive by IA nor LC–MS-MS after day 1. After consuming hard kombucha (n  = 7 participants), 2 (2.8%) of the 70 collected oral fluid specimens tested positive for EtS 3 h after consumption; however, 21 (30%) had EtS levels above the limit of detection (LOD, 10 ng/mL) after 0.5–8 h. Both markers were detected in urine specimens from all participants with median (range) concentrations of 3,381 (559–70,250) ng/mL for EtS and 763 (104–12,864) ng/mL For EtG. Urine specimens were negative for EtG and EtS by the end of the 48-hour study. [ABSTRACT FROM AUTHOR]

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A novel and efficient approach is presented herein to develop self-cleaning and ultraviolet resistant cotton fabrics loaded with a self-dispersed and reactive TiO2/BiOBr photocatalyst. TiO2/BiOBr was synthesized by a facile hydrothermal method and characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), ultraviolet-visible diffuse reflectance spectroscopy (UV-vis DRS) and photocatalytic activity. Amino-functionalized TiO2/BiOBr was prepared through the reaction of 3-aminopropyltriethoxysilane with TiO2/BiOBr and then reacted with sodium 2-(4-(4,6-dichloro-1,3,5-triazine-2-ylamino)phenylsulfonyl)ethyl sulfate (SDTES) to obtain self-dispersed and reactive TiO2/BiOBr. The chemical structure and dispersity of TiO2/BiOBr, amino-functionalized TiO2/BiOBr and self-dispersed and reactive TiO2/BiOBr were revealed utilizing Fourier transform infrared spectroscopy (FTIR) and a zeta potential test. Cotton fabric was loaded with self-dispersed and reactive TiO2/BiOBr by the dip dyeing method. XRD and SEM were employed to characterize the crystalline structure and surface morphology of cotton fabrics, respectively. In addition, the anti-ultraviolet, self-cleaning and wash fastness properties of cotton fabrics were studied. The photocatalytic test demonstrated that TiO2/BiOBr has superior photocatalytic activity than TiO2 or BiOBr under simulated sunlight irradiation. In addition, the experimental results showed that self-dispersed and reactive TiO2/BiOBr had commendable dispersity and storage stability. The cotton fabric loaded with self-dispersed and reactive TiO2/BiOBr had exceptional anti-ultraviolet, self-cleaning and washing properties. The photocatalytic mechanism of self-dispersed and reactive TiO2/BiOBr and its binding reactions with cotton fabric were proposed, which may provide a reference for broad application potential in functional textiles. [ABSTRACT FROM AUTHOR]

Introducing ionic liquids (ILs) into ultra-high molecular polyethylene (UHMWPE) is a promising approach to improving the processibility of UHMWPE. To have a comprehensive understanding of the role of ILs in affecting the properties and molecular structures of UHWMPE, we conducted a systematic study on the viscoelastic behaviours of UHMWPE/IL composites with various ILs content at room temperature. Stress relaxation tests were performed under constant tensile strain ( ε 0 = 0.47%). Constant strain-rate tests were also performed at five strain rates over the range of 2 × 10–3 s−1 to 1.7 × 10–1 s−1. To have deeper insights into the phenomena and the structure–property relationship, theoretical modelling based on the generalized Maxwell model was employed to study the time-dependent relaxation modulus. The modelling results suggest decreased elasticity and viscosity by the addition of ILs, indicating weakened bonding and enhanced motions of chain segments. Moreover, experimental yield stresses from the constant strain-rate tests were modelled by the cooperative model, which is based on the Eyring's activation theory and takes the cooperative motion of chain segments into accounts. Analysis of the modelling results also shows that ILs increased the effective volume and decreased the energy barrier required to activate chain motions, confirming the enhanced mobilities of chain segments of UHMWPE by the addition of ILs. [ABSTRACT FROM AUTHOR]

A new series of thiophene-based azomethines differing in the core structure was synthesized. The effect of the central core structure in azomethines on the thermal, optical and electrochemical properties was investigated. The obtained compounds exhibited the ability to form a stable amorphous phase with a high glass transition temperature above 100 °C. They were electrochemically active and undergo oxidation and reduction processes. The highest occupied (HOMO) and the lowest unoccupied molecular (LUMO) orbitals were in the range of −3.86–−3.60 eV and −5.46–−5.17 eV, respectively, resulting in a very low energy band gap below 1.7 eV. Optical investigations were performed in the solvents with various polarity and in the solid state as a thin film deposited on a glass substrate. The synthesized imines absorbed radiation from 350 to 600 nm, depending on its structure and showed weak emission with a photoluminescence quantum yield below 2.5%. The photophysical investigations were supported by theoretical calculations using the density functional theory. The synthesized imines doped with lithium bis-(trifluoromethanesulfonyl)imide were examined as hole transporting materials (HTM) in hybrid inorganic-organic perovskite solar cells. It was found that both a volume of lithium salt and core imine structure significantly impact device performance. The best power conversion efficiency (PCE), being about 35–63% higher compared to other devices, exhibited cells based on the imine containing a core tiphenylamine unit. [ABSTRACT FROM AUTHOR]