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BackgroundMaternal solvent exposure has been suspected to increase offspring cancer risk. The study aimed to evaluate the associations between maternal residential exposure to solvents from industrial pollution during pregnancy and childhood cancer.MethodsThe present study included 15,744 cancer cases (aged 0-19 years at diagnosis) identified from California Cancer Registry and 283,141 controls randomly selected from California Birth Registry (20:1 frequency-matched by birth year: 1998-2016). We examined industrial releases of tetrachloroethylene and 1,1,1-trichloroethane within 3 km of the birth address, while we used a 5 km buffer for carbon disulfide. We calculated the total exposure from all linked Toxic Release Inventory sites during each index pregnancy and assigned "ever/never" and "high/low exposed/unexposed" exposure, using median values. We performed quadratic decay models to estimate cancer risks associated with maternal solvent exposure in pregnancy.Results1,1,1-Trichloroethane was associated with rhabdomyosarcoma (adjusted Odds Ratio (aOR): 1.96; 95% Confidence Interval (CI): 1.16, 3.32) in the "ever exposed" group. Ever exposure to carbon disulfide was associated with increased risks of medulloblastoma (OR = 1.85, 95% CI 1.01, 3.40) and ependymoma (OR = 1.63, 95% CI 0.97, 2.74).ConclusionsOverall, our findings suggested maternal residential exposure to solvents from industrial sources might be associated with elevated childhood cancer risks.

Novel palladium and nickel–sulfur clusters were synthesized using a diamidocarbene-derived carbon disulfide ligand. Structural characterization revealed a tetranuclear metal–sulfur cluster geometry with each metal center exhibiting square-planar coordination. The ligand was redox-active, accommodating oxidation states ranging from 0 to −2. [ABSTRACT FROM AUTHOR]

A green and efficient synthesis of alkyl 2-((5-hydroxy-1H-pyrazole-4-carbonothioyl)thio)acetates is described. The method involves a one-pot, solvent-free reaction of pyrazolone derivatives, carbon disulfide, and alkyl bromoacetates in the presence of triethylamine. The crude products were readily purified by simple water washing followed by recrystallization from diethyl ether. The structures of the synthesized pyrazole-4-carbonothioyl-thio-acetate derivatives were confirmed by IR, 1H NMR, 13C NMR, and mass spectrometry. [ABSTRACT FROM AUTHOR]

Dissolving-grade pulps serve as the primary material for producing regenerated cellulose fibers, and their utilization is steadily increasing. Despite extensive research efforts, it remains necessary to deepen our understanding of the inherent factors that impact pulp reactivity apart from the well-known degree of polymerization. The Fock reactivity test is commonly used to quantify the reactivity of cellulose pulp by measuring the percentage of cellulose that reacts with carbon disulfide. Dissolving pulps typically require a reactivity of over 90%. Hemicellulose content, intrinsic viscosity, cell wall porosity, crystallinity, and accessible area of four different pulps were characterized and distinct treatments were employed to try to separate the effect of different pulp properties and assess their effect on Fock reactivity. Hemicelluloses removal by xylanase and cold caustic treatments (86% removal) increased the Fock reactivity by 30%, from 55.7% to 71.3%. Assuming the hemicelluloses are fully accessible by the CS2, cellulose reactivity increased from 35.6% to 69.5%,but at the expense of an intrinsic viscosity decrease from 990 cm3/g to 689 cm3/g. This unexpected intrinsic viscosity decrease can be due to the cellulose de-shielding effect provoked by hemicellulose removal and some cellulose degradation during cold caustic extraction. Vibrational impact ball-milling applied on a pulp with 5% hemicellulose content notably boosted Fock reactivity by 56%, from 54% to 84.5%, but two pulp properties, intrinsic viscosity, and crystallinity, decreased concurrently due to the high-energy treatment. This phenomenon complicates identifying a direct correlation between heightened reactivity and a single parameter. To address this, endoglucanase treatment was used to separate intrinsic viscosity from crystallinity, clarifying their contributions to changes in Fock reactivity. Unfortunately, the effect of a given physical or bio/chemical pulp treatment affects more than one pulp property, always including the cellulose degree of polymerization, which has made it difficult to isolate the pulp properties that affect Fock reactivity. Several processes have been tested to obtain pulp with dissolving potential. [ABSTRACT FROM AUTHOR]

In this paper, a polarization-insensitive magnetic tunable perfect metamaterial absorber is analyzed which shows its functionality as a refractive index (RI) sensor. The unit cell structure of reported absorber consists of a cross-shaped Indium Arsenide (InAs) array over aluminum ground plane and has dimensions less than λ c / 4 with thickness of 7.5 μ m and periodicity of 9 μ m making it an ultra-thin absorber. The proposed absorber provides an average absorption of 99.99% on the implementation of magnetic field (B) at 0.4 T. The resonance frequency and corresponding absorption rates can be controlled by varying the magnetic field from B = 0. 1 –0.4 T which provides high absorption as well as shift in the frequency spectrum by 0.3 THz/T. Additionally, parametric analysis has also been done to confirm the selection of the optimum value of the designed parameters of the structure. Furthermore, simulation results reveal that the proposed structure is very sensitive to the change of RI values in the surroundings thus, the proposed structure can be employed as a RI sensor high sensitivity of 1.083 THz/RIU over the range of 1–1.6 RI. In addition, the result shows that the sensor can detect different chemical compounds such as ethanol, gasoline, paraffin, sodium chloride, carbon disulfide with an average sensitivity of 0.925 THz/RIU. Thus, the proposed absorber with obtained sensitivity can be utilized as a biochemical sensor, making it one of the best contenders for chemical industry uses in diagnosis of different hazardous chemicals as well as finding its applicability in biomedical uses. [ABSTRACT FROM AUTHOR]

In this paper, triazole derivatives were prepared by a three-step mild reaction using carbon disulfide as starting material. In face of microbial threats, we found that compound 3-cyclopropyl-[1,2,4]triazolo [3,4-b][1,3,4]thiadiazole-6-thiol (C2) has good antibacterial activity, inhibition and clearance ability against biofilms, low hemolytic activity and toxicity, good anti-inflammatory activity. At the same time, we found that B and C series compounds have good metal ion scavenging ability, with removal rates of C series ranging from 47% to 67% and B series ranging from 67% to 87%. [ABSTRACT FROM AUTHOR]

The article discusses the importance of trithiocarbonates in various applications, including organic synthesis, manufacturing, and pharmaceuticals. The focus is on developing cleaner and greener methods for synthesizing asymmetrical trithiocarbonates with minimal use of reagents. The synthesized compounds showed significant anticancer activity against different human cancer cell lines. The study highlights the eco-friendly approach and efficient use of resources in the preparation of these biologically potent molecules. [Extracted from the article]

We report improved protocols for the synthesis of thiazolium precatalysts from primary amines, carbon disulfide, and α-halo ketones. For N -alkyl-substituted derivatives, yields of the corresponding thiazolethiones can be dramatically improved by isolating the intermediate dithiocarbamates. In most cases, meta -chloroperbenzoic acid can advantageously replace H2 O2 in acetic acid for the oxidation of thiazolethiones into thiazoliums. This approach was applied to the synthesis of a thiazolium featuring a 2-adamantyl N -substituent, the corresponding persistent carbene, and its dimer. [ABSTRACT FROM AUTHOR]

An eco‐friendly and efficient method was developed for synthesizing a novel class of aliphatic sulfonyl fluorides in a catalyst‐free one‐pot reaction. The new approach offers a streamlined synthesis for N‐(Substituted)‐2‐(fluorosulfonyl) ethyl carbamodithioates by combining amines, carbon disulfide, with ethenesulfonyl fluoride. The synthesized compounds were obtained in good yields under mild conditions, making this reaction a valuable tool for exploring new chemical transformations. [ABSTRACT FROM AUTHOR]

(3‐(4‐Fluorophenyl)oxyran‐2‐yl)(naphthalene‐2‐yl)methanone 2 was prepared from the reaction of 3‐(4‐fluorophenyl)‐1‐(naphthalen‐2‐yl)prop‐2‐en‐1‐one (1) with hydrogen peroxide and reacted with different nucleophiles such as hydrazine hydrate, phenyl hydrazine, thiosemicarbazide to give 4‐hydroxy‐1H‐pyrazole derivatives 3a,b‐4. Also, compound 2 was treated with hydroxylamine hydrochloride to give the substituted 2,3‐dihydroisoxazole 5. Similarly, compound 2 was treated with carbon disulfide, phenyl isothiocyanate, and phenyl isocyanate to give the corresponding compounds 6–8. Various spectroscopic techniques and elemental analysis were used to determine the molecular structures of the new derivatives. All the new analogs were screened against five human pathogenic microbial strains: Escherichia coli and Pseudomonas aeruginosa as Gram‐negative bacteria, Bacillus subtilis and Staphylococcus aureus as Gram‐positive bacteria and the yeast Candida albicans using agar diffusion method. Compound 4 exhibited moderate antimicrobial activity against all the tested microorganisms compared to positive control ciprofloxacin and fluconazole. On the other hand, the free radical scavenging activity of the new compounds using DPPH assay protocol revealed that most of the compounds have a weak reducing activity. Moreover, compounds 4 and 8 were docked against 1KZN protein (DNA gyrase), 3FYV and 5V5Z showing the ability to interact with key amino acid residues and the potential to act as inhibitors. [ABSTRACT FROM AUTHOR]

N,N‐didodecylammonium N,N‐didodecyldithiocarbamate (AmDTC‐C12C12) underwent self‐assembly to form a CatAnionic vesicular nanoreactor in water. AmDTC‐C12C12 can be readily prepared by condensation between N,N‐didodecylamine and carbon disulfide. Previously, the cascade Michael addition/hemiketalization/retro‐Claisen fragmentation was reported, but it required petroleum‐based organic solvents as reaction media. Herein, the application of AmDTC‐C12C12 in aqueous cascade synthesis is investigated. Initially, we explored the catalytic activity of AmDTC‐C12C12 (10 mol %) in the synthesis of 4H‐chromene through a double‐cascade Michael addition/hemiketalization. The reaction occurred in water at room temperature using 2‐hydroxy‐trans‐β‐nitrostyrene as Michael acceptor and acetylacetone as Michael donor, yielding 2‐chromanol intermediates. Subsequent acidic dehydration of 2‐chromanols produced 4H‐chromenes with moderate yields (34–60 %) and phenyl acetates of γ‐nitro ketone as co‐products (13–31 %), deriving from retro‐Claisen fragmentation. Surprisingly, using Michael donors with aromatic moieties on the 1,3‐dicarbonyls resulted in spontaneous triple‐cascade Michael addition/hemiketalization/retro‐Claisen fragmentation in water without the need for acidic dehydration. The γ‐nitro ketones were obtained as sole products, with no detection of 4H‐chromenes, in moderate to high yields (24–84 %) for symmetrical 1,3‐dicarbonyl containing two aromatic groups. Unsymmetrical 1,3‐dicarbonyl bearing aromatic/aliphatic or aromatic/aromatic groups afforded γ‐nitro ketones in favorable yields (73–97 %). [ABSTRACT FROM AUTHOR]

A novel and convenient method for the synthesis of 1,2,4‐oxadiazole‐5‐thiones with carbon disulfide as effective C=S source has been developed in a super basic condition. The presented method has a broad substrate scope, and various corresponding 1,2,4‐oxadiazole‐5‐thiones have been obtained in good to excellent yields. This method allows to the gram‐scale synthesis of products. Under similar conditions, synthesis of diazole thione benzothioamide derivative from p‐cyanobenzamidoxime with CS2 has been successfully achieved. [ABSTRACT FROM AUTHOR]

In this study, cheese chips were made using full-fat, half-fat, and non-fat Dil cheeses. Full-fat chips were brighter and yellower. Additionally, full-fat chips were also harder, more fragile (p<0.05), and had better sensory properties. 3-Methylbutanal, pyruvaldehyde, and 2-heptanone were more dominant in full-fat and half-fat chips, while 3-methylbutanal, acetic acid, and carbon disulfide were more dominant in non-fat chips. Cheese’s texture, colour, and general acceptability were negatively affected by lowering of chips fat content. When the fat content needs to be reduced, it can be suggested to manufacture half-fat chips with better levels of acceptability. [ABSTRACT FROM AUTHOR]

Thioamides are widely used structures in pharmaceuticals and agrochemicals, as well as important synthons for the construction of sulfur‐containing heterocycles. This report presents a series of visible‐light‐driven multicomponent reactions of amines, carbon disulfide, and olefins for the mild and versatile synthesis of linear thioamides and cyclic thiolactams. The use of inexpensive and readily available carbon disulfide as the thiocarbonyl source in a radical pathway enables the facile assembly of structurally diverse amine moieties with non‐nucleophilic carbon‐based reaction partners. Radical thiocarbamoylative cyclization provides a practical protocol that complements traditional approaches to thiolactams relying on deoxythionation. Mechanistic studies reveal that direct photoexcitation of in situ formed dithiocarbamate anions as well as versatile photoinduced electron transfer with diverse electron acceptors are key to the reactions. [ABSTRACT FROM AUTHOR]

When water vapor comes into contact with a cold surface, it condenses into water droplets. This natural phenomenon is called breath figures (BFs). Interestingly, ordered BFs can be formed on a volatile liquid surface. Different volatile liquids can induce different BFs, but the growth process of ordered BFs is not fully understood. Although it is believed that BFs can form on the surface of a volatile liquid, such as dichloromethane, there is little experimental evidence to support this claim. Herein, the growth of BFs on a surface of pure dichloromethane without any polymer was observed in situ by an optical microscope (OM) in a static humid environment. The OM images were analyzed to obtain details, and the ordered breath figure arrays (BFAs) were observed on the volatile liquid surface. It is found that there are three distinct power-law growth exponents, and the growth of BFs followed a single droplet growth before coalescing. Moreover, it was observed that water droplets were rapidly moving throughout the water droplet growth. The growth dynamics of BFs on the volatile surface of pure dichloromethane have unique characteristics, which are different from the reported results on nonvolatile surfaces, volatile solutions with polymer, and pure carbon disulfide. These results provide direct evidence for ordered BFs from pure dichloromethane and help explain the mechanism of ordered BFs on volatile liquid surfaces. [ABSTRACT FROM AUTHOR]

Bis(1-butyl-1-methypyrrolidinium) perthiodicarbonate was obtained by the reaction of carbon disulfide with 1-butyl-1-methypyrrolidinium acetate ([BmPyrro][Ac]) in the liquid phase. Structural characterization of this original complex was achieved by single-crystal X-ray diffraction (SCXRD) analysis. The asymmetric unit of the title compound, C2S6·2C9H20N, consisted of two crystallographically 1-methyl-1-butyl pyrrolidinium cations and one perthiodicarbonate anion. The complex C2S6·2C9H20N crystallized in the monoclinic space group, C 2/c, and possessed the following cell parameters: a = 16.0970(10) Å, b = 14.7140(9) Å, c = 12.3280(8) Å, α = 90°, β = 112.3730(12)°, γ = 90°, V = 2700.11 Å3, and Z = 8, Z' = 0.5. [ABSTRACT FROM AUTHOR]

Biofouling poses a significant challenge to the marine industry, and silicone anti-biofouling coatings have garnered extensive attention owing to their environmental friendliness and low surface energy. However, their widespread application is hindered by their low substrate adhesion and weak static antifouling capabilities. In this study, a novel silicone polymer polydimethylsiloxane (PDMS)-based poly(urea-thiourea-imine) (PDMS-PUTI) was synthesized via stepwise reactions of aminopropyl-terminated polydimethylsiloxane (APT-PDMS) with isophorone diisocyanate (IPDI), isophthalaldehyde (IPAL), and carbon disulfide (CS2). Subsequently, a nanocomposite coating (AgNPs-x/PDMS-PUTI) was prepared by adding silver nanoparticles (AgNPs) to the polymer PDMS-PUTI. The dynamic multiple hydrogen bonds formed between urea and thiourea linkages, along with dynamic imine bonds in the polymer network, endowed the coating with outstanding self-healing properties, enabling complete scratch healing within 10 min at room temperature. Moreover, uniformly dispersed AgNPs not only reduced the surface energy of the coating but also significantly enhanced its antifouling performance. The antibacterial efficiency against common marine bacteria Pseudomonas aeruginosa (P.sp) and Staphylococcus aureus (S.sp) was reduced by 97.08% and 96.71%, respectively, whilst the diatom settlement density on the coating surface was as low as approximately 59 ± 3 diatom cells/mm2. This study presents a novel approach to developing high-performance silicone antifouling coatings. [ABSTRACT FROM AUTHOR]

Fungicides based on dithiocarbamates have been used to protect crops from fungal diseases for more than half a century. The purpose of this work was to show the potential impact of improper potato storage on the analysis of mancozeb and other dithiocarbamates. The resulting field samples were divided into two parts. The first part was subjected to sample preparation without violation of storage conditions. Sample preparation of the second part of the sample was carried out after artificially simulated storage violation conditions. The method for the analysis of dithiocarbamates is based on the acid hydrolysis of the sample with the formation of carbon disulphide and its subsequent analysis using GC-FPD. The results of the analysis showed the content in the experimental and control samples of a large amount of carbon disulphide, which is not a product of the hydrolysis of mancozeb. Thus, it is not possible to estimate the correct amount of mancozeb. [ABSTRACT FROM AUTHOR]

A method to assemble 2‐aminobenzoxazoles via iron‐catalyzed redox condensation of amines, carbon disulfide and 2‐nitrophenols is reported. The reaction features advantages of environmentally friendly iron catalyzed conditions, readily available starting materials, and excellent atom‐, step‐ and redox‐ economy compared to known protocols. Experimental investigation suggests a mechanism encompassing iron‐catalyzed reduction of the nitro group of 2‐nitrophenols by the dithiocarbamate group from amine‐CS2 adduct. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Guangdong University of Technology is the property of Journal of Guangdong University of Technology and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Solvent additives are pivotal for enhancing the morphology, efficiency, and stability of organic solar cells (OSCs). However, the widely used additive, 1,8‐diiodooctane (DIO), has drawbacks like harmful halogen content and potential OSC degradation. To address these issues, novel non‐halogenated, thienyl‐alkyl‐thienyl structural solvent additives—DTP, DTH, and DTN—featuring varying alkyl linker lengths of (CH2)3, (CH2)6, and (CH2)9, respectively are introduced. Additives with longer alkyl linkers, DTH and DTN, effectively dissolve and strongly interact with both the donor polymer PM6 and acceptor L8‐BO. This dual interaction enables precise tuning of their microstructures, resulting in enhanced crystallinity. Upon incorporating DTH as an additive in OSCs (PM6:L8‐BO), a minimal voltage loss is observed, leading to an impressive efficiency of 18.51%, surpassing the 17.90% achieved with DIO. Furthermore, DTH‐based devices demonstrated superior photostability. In a ternary blend system (PM6:D18‐Cl:L8‐BO), an efficiency of 19.07% is attained, outperforming previous non‐halogenated solvent additive‐based OSCs. Furthermore, employing a non‐halogenated processing solvent combination of toluene and carbon disulfide, a high PCE of 18.82% is achieved. These results underscore the efficacy of designing solvent additives with aromatic and alkyl units, enabling tailored interactions with the donor and acceptor, thereby presenting a robust strategy for optimizing OSC performance and stability. [ABSTRACT FROM AUTHOR]

The widely discussed phenomenon of flame propagation without self-heating is considered using as examples the combustion of carbon disulfide and the decomposition of nitrogen trichloride. It is shown that, in the nonthermal propagation of a carbon disulfide flame and in its combustion, a determining role is played by a new type of elemental reaction: the displacement of an atom from a molecule by an attacking atomic reactant. For nitrogen trichloride as an example, an unambiguous quantitative relationship between the flame speed and the nonlinear branching rate constant is shown. In both processes, the proposed mechanisms are confirmed by the identification, using EPR and optical spectroscopy, of atoms and radicals that play the main role in the process. The equations corresponding to the identified mechanisms of the processes are confirmed by experiments. [ABSTRACT FROM AUTHOR]

Carbonyl sulfide (COS) is the most abundant sulfur gas in the atmosphere with links to terrestrial and oceanic productivity. We measured COS in ice core air from an intermediate-depth ice core from the South Pole using both dry and wet extraction methods, recovering a 52 500-year record. We find evidence for COS production in the firn, altering the atmospheric signal preserved in the ice core. Mean sea salt aerosol concentrations from the same depth are a good proxy for the COS production, which disproportionately impacts the measurements from glacial period ice with high sea salt aerosol concentrations. The COS measurements are corrected using sea salt sodium (ssNa) as a proxy for the excess COS resulting from the production. The ssNa-corrected COS record displays substantially less COS in the glacial period atmosphere than the Holocene and a 2 to 4-fold COS rise during the deglaciation synchronous with the associated climate signal. The deglacial COS rise was primarily source driven. Oceanic emissions in the form of COS, carbon disulfide (CS2), and dimethylsulfide (DMS) are collectively the largest natural source of atmospheric COS. A large increase in ocean COS emissions during the deglaciation suggests enhancements in emissions of ocean sulfur gases via processes that involve ocean productivity, although we cannot quantify individual contributions from each gas. [ABSTRACT FROM AUTHOR]

The fast and effective monitoring of agrochemical residues is essential for assuring food safety, since many agricultural products are sprayed with pesticides and commercialised without waiting for the pre-harvest interval. In this study, we investigated the use of spectral reflectance combined with principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) to evaluate the discrimination of fungicide-contaminated lettuces, considering three maximum residue limits (MRLs) [3.5, 5, and 7 mg carbon disulphide (CS2) kg−1]. The non-systemic Mancozeb fungicide (dithiocarbamate) was adopted in this research. Spectral reflectance (Vis/NIR) was measured by a hand-held spectrometer connected to a clip probe with an integrating sphere. The lettuce spectra were pre-treated (centring, standard normal variate, and first derivative) before data processing. Our findings suggest that PCA recognised inherent similarities in the fungicide-contaminated lettuce spectra, categorising them into two distinct groups. The PLS-DA models for all MRLs resulted in high accuracy levels, with correct discriminations ranging from 94.5 to 100% for the external validation dataset. Overall, our study demonstrates that spectroscopy combined with discriminating methods is a promising tool for non-destructive and fast discrimination of fungicide-contaminated lettuces. This methodology can be used in industrial food processing, enabling large-scale individual analysis and real-time decision making. [ABSTRACT FROM AUTHOR]

Carbon disulfide (CS2) is an environmental contaminant, which is deadly hazardous to the workers under chronic or acute exposure. However, the toxicity mechanisms of CS2 are still unclear due to the scarcity of biocompatible donors, which can release CS2 in cells. Here we developed the first bioorthogonal CS2 delivery system based on the "click‐and‐release" reactions between mesoionic 1,3‐thiazolium‐5‐thiolates (TATs) and strained cyclooctyne exo‐BCN‐OH. We successfully realized intracellular CS2 release and investigated the causes of CS2‐induced hepatotoxicity, including oxidative stress, proteotoxic stress and copper‐dependent cell death. It is found that CS2 can be copper vehicles bypassing copper transporters after reacting with nucleophiles in cytoplasm, and extra copper supplementation will exacerbate the loss of homeostasis of cells and ultimately cell death. These findings inspired us to explore the anticancer activity of CS2 in combination with copper by introducing a copper chelating group in our CS2 delivery system. [ABSTRACT FROM AUTHOR]

Using carbon disulfide (CS2) and carbonyl sulfide (COS) as sulfur‐containing and one‐carbon feedstocks to make value‐added products is paramount for both pure and applied chemistry and environmental science. One of the practical strategies is to copolymerize these bulk chemicals with epoxides to produce sulfur‐containing polymers. This approach contributes to improving the sustainability of polymer manufacturing, provides highly desired functional polymer materials, and has attracted much attention. However, these copolymerizations invariably exhibit the intensely complicated chemistry of O/S exchange reaction, leading to sulfur‐containing polymers with diverse architectures. As the understanding of O/S exchange continues to deepen, recent efforts have guided significant advances in the synthesis of CS2‐ and COS‐based polymers. This review examines the O/S exchange chemistry and summarizes the recent progress in this field to promote the further advance of synthesizing sulfur‐containing polymers from CS2 and COS. [ABSTRACT FROM AUTHOR]

In this work, the insertion of CS2 into the Ge–Si bond of PhC(NtBu)2Ge–Si(SiMe3)3 (1) has been investigated, resulting in the formation of PhC(NtBu)2Ge–C(＝S)–S–Si(SiMe3)3 (2). Interestingly, the addition of NHC to 2 allows the release of NHC·CS2 with concomitant regeneration of 1. Addition of another equivalent of 1 or an analogous hypersilyl silylene, [PhC(NtBu)2Si–Si(SiMe3)3], to 2 led to the formation of compounds with a Ge＝S (3) or a Si＝S (4) bond. [ABSTRACT FROM AUTHOR]

Molybdenum disulfide is considered an excellent anode material for lithium-ion batteries due to its unique structure and high specific capacity. However, molybdenum disulfide's inherent low ionic transport rate and low intrinsic conductivity have limited its application in lithium-ion batteries. Compounding with carbon materials is an effective way to overcome these limitations in the application of molybdenum disulfide. In this work, the effect of carbon layer on the growth of molybdenum disulfide was systematically investigated in order to disclose the role and influence of carbon in composites with molybdenum disulfide. Furthermore, our work provides an effective method for the structural optimization of one-dimensional composites based on carbon and molybdenum disulfide just by controlling the ratio of carbon precursor to molybdenum source during its formation. After structural optimization, effective MoS2@C composite materials were successfully synthesized, which exhibited greatly enhanced electrical conductivity and structural stability and maintained a specific capacity of 800.4 mA h g−1 even after 1200 cycles at a current density of 1 A g−1 possibly due to the excellent specific capacity of molybdenum disulfide. [ABSTRACT FROM AUTHOR]

A simple, sensitive, and rapid spectrophotometric method for the determination of Cu(II), Ni(II), Co(II), and Mn(II) ions is proposed based on the complexation of metal ions with a synthesized ligand, 4-methylpiperazine dithiocarbamic acid, formed by the reaction of 4-methyl piperazine and carbon disulfide under cold conditions. The colored complex formed by the reaction of the synthesized ligand with these heavy metals in an aqueous acetonitrile medium exhibits absorbance maxima at 435, 395, 370, and 495 nm for Cu, Ni, Co, and Mn metals, respectively. Beer's law was valid within concentration ranges of 0.34–20.46, 0.49–39.81, 0.47–38.07, and 0.49–11.03 µg/mL for Cu, Ni, Co, and Mn, respectively. Various reaction parameters such as pH, volume of reagent, and solvents were carefully studied and optimized. The limits of detection and limits of quantification for Cu, Ni, Co, and Mn were found to be 1.4, 2.4, 1.1, and 1.1 µg/mL and 4.2, 7.2, 3.3, and 3.3 µg/mL, respectively. The method proved to be sensitive and rapid, requiring only a few minutes for sample analysis. The synthesized ligand and metal(II) 4-methyl piperazine dithiocarbamate complexes, M(4-methylPzdtc)2, were characterized by FTIR. The method was subsequently applied to vegetable and water samples spiked with the cations. The high recoveries of Cu, Ni, Co, and Mn from the proposed method indicate good accuracy and precision. [ABSTRACT FROM AUTHOR]

Objective Both exposure to occupational chemicals and to unusual working hours have well documented effects on health. Determination of occupational exposure limits is, however, usually based on chemical-only exposure and assumes an 8-h workday, 5 days/week and a 40-h work week. A significant proportion of the workforce is exposed to chemicals while working in other work schedules. This review thus aimed to synthesize and evaluate the scientific support for a combined effect of unusual working hours and chemical exposure and, if possible, give recommendations for OEL adjustments to account for unusual working hours. Methods The search for articles was made as part of the preparation of a report for the Nordic Expert Group for Criteria Documentation of Health Risks from Chemicals. In this report, unusual working hours were categorized as shift work or extended (>8 h) working hours. Inclusion criteria were observational studies in the English language published up to November 2021 in peer-reviewed journals, with explicit metrics of exposure (chemicals and unusual working hours) and of health outcome, and which explicitly tested the association between exposure and outcome. Search engines of seven databases were used. Results Of the initially 15 400 identified papers, 9 studies published between 1985 and 2021 met the inclusion criteria, 7 of which showed significant associations. Results from a few of the studies, i.e. regarding effects of dust and endotoxin on lung function, effects of acetone on sleep quality and tiredness, effects of carbon disulphide on coronary artery disease and effects of chemicals on spontaneous abortion, suggested more pronounced effects during night shifts compared to during day shifts. Discussion The reviewed data is considered insufficient to conclude on recommendations for OEL adjustment for shift work. Suggested areas of future studies are mentioned. Conclusion Further studies about the effects of the combined exposure to unusual working hours and chemical exposure are essential for risk assessment, and for recommendation of potential OEL adjustments. What is important about this paper? Effects of chemical agents at the workplace may depend not only on exposure level and duration but also on the time of exposure in relation to the circadian rhythm. This study reviewed the scientific support for a combined effect of unusual working hours and chemical exposure and revealed an obvious need for additional studies regarding the complex interplay of the two different exposures with respect to adverse health effects. [ABSTRACT FROM AUTHOR]

Copyright of Inorganic Chemicals Industry is the property of Editorial Office of Inorganic Chemicals Industry and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

We have observed details of the internal motion and dissociation channels in photoexcited carbon disulfide (CS2) using time-resolved x-ray scattering (TRXS). Photoexcitation of gas-phase CS2 with a 200 nm laser pulse launches oscillatory bending and stretching motion, leading to dissociation of atomic sulfur in under a picosecond. During the first 300 fs following excitation, we observe significant changes in the vibrational frequency as well as some dissociation of the C–S bond, leading to atomic sulfur in the both 1D and 3P states. Beyond 1400 fs, the dissociation is consistent with primarily 3P atomic sulfur dissociation. This channel-resolved measurement of the dissociation time is based on our analysis of the time-windowed dissociation radial velocity distribution, which is measured using the temporal Fourier transform of the TRXS data aided by a Hough transform that extracts the slopes of linear features in an image. The relative strength of the two dissociation channels reflects both their branching ratio and differences in the spread of their dissociation times. Measuring the time-resolved dissociation radial velocity distribution aids the resolution of discrepancies between models for dissociation proposed by prior photoelectron spectroscopy work. [ABSTRACT FROM AUTHOR]

Layered double hydroxides (LDHs) are well established inorganic nanomaterials. They are of researcher's interest due to their anion-exchange capability, high surface-to-volume ratio, enhanced basicity due to hydroxyl anions and lewis acidity due to different metal ions present in the lattice. Their compatibility with environmental friendly solvents like water and alcohol have attracted synthetic chemists to develop green protocol in organic catalysis reactions. Interestingly, there are no reports of utilizing NiAl LDHs as a catalyst for organic transformations in greener condition. In the present study, we have utilized NiAl LDHs as a catalyst for the synthesis of thioxo-dihydroquinazolinones from isatoic anhydride, hydrazides and carbon disulphide. We have synthesized ten thioxo-dihydroquinazolinones with product yield ranging from 77 to 90%. The synthesized thioxo-dihydroquinazolinones possessing differently substituted aryl groups and heterocyclic ring could become a good precursors to discover and develop a new drug molecules. Nontoxic catalyst with both acidic and basic sites, substrate scope, environmental friendly solvents, one-pot operation, simple starting materials, good yields and reusability of NiAl LDHs catalyst up to five cycles are notable features of the present protocol. [ABSTRACT FROM AUTHOR]

Stretchable organic solar cells (OSCs) with high power conversion efficiency and good mechanical deformation are promising as power sources for wearable electronics. However, synergistic improvement of both photovoltaic efficiency and mechanical ductility is challenging for state‐of‐the‐art polymer donor: non‐fullerene acceptor (NFA)‐based photovoltaic active layers. Here, a high‐performance stretchable OSC with a power conversion efficiency of 16.54% and a crack‐onset strain of 26.38% by synergetic optimization film microstructure of sequentially deposited ternary active layer consisting of a polymer donor poly[2,6‐(4,8‐bis(5‐(2‐ethylhexyl‐3‐fluoro)thiophen‐2‐yl)‐benzo[1,2‐b:4,5‐b']dithiophene))‐alt‐5,5'‐(5,8‐bis(4‐(2‐butyloctyl)thiophen‐2‐yl)dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2‐c][1,2,5]thiadiazole)] (D18), an NFA 2,2'‐((2Z,2'Z)‐((12,13‐bis(2‐ethylhexyl)‐3,9‐diundecyl‐12,13‐dihydro‐[1,2,5]thiadiazolo[3,4‐e]thieno[2'',3'':4',5']thieno[2',3':4,5]pyrrolo[3,2‐g]thieno[2',3':4,5]thieno[3,2‐b]indole‐2,10‐diyl)bis(methanylylidene)bis(5,6‐difluoro‐3‐oxo‐2,3‐dihydro‐1H‐indene‐2,1‐diylidene))dimalonitrile) (Y6), and an elastomer polystyrene‐block‐poly(ethylene‐ran‐butylene)‐block‐polystyrene (SEBS) is reported. Adding a low‐content solvent additive para‐xylene into main solvent carbon disulfide induces high‐density fibers networks with low crystallinity in bottom D18 layer, and this further suppresses the large phase separation between Y6 and SEBS in top layer. Moreover, incorporating a solid additive 1,3‐dibromo‐5‐chlorobenzene with better compatibility with Y6 can promote Y6 dispersions to form smaller ordered domains in SEBS matrix. Finally, the optimal ternary active layer shows significantly higher efficiency and stretchability, resulting in a large efficiency‐stretchability factor of 4.36%, which is among the best values for stretchable OSCs. [ABSTRACT FROM AUTHOR]

Elemental sulfur, a waste product of the oil refinement process, represents a promising raw material for the synthesis of degradable polymers. We show that simple lithium alkoxides facilitate the polymerisation of elemental sulfur S8 with industrially relevant propylene oxide (PO) and CS2 (a base chemical sourced from waste S8 itself) to give poly(monothiocarbonate‐alt‐Sx) in which x can be controlled by the amount of supplied sulfur. The in situ generation of thiolate intermediates obtained by a rearrangement, which follows CS2 and PO incorporation, allows to combine S8 and epoxides into one polymer sequence that would otherwise not be possible. Mechanistic investigations reveal that alkyl oligosulfide intermediates from S8 ring opening and sulfur chain length equilibration represent the better nucleophiles for inserting the next PO if compared to the trithiocarbonates obtained from the competing CS2 addition, which causes the sequence selectivity. The polymers can be crosslinked in situ with multifunctional thiols to yield reprocessable and degradable networks. Our report demonstrates how mechanistic understanding allows to combine intrinsically incompatible building blocks for sulfur waste utilisation. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: A convenient approach for the construction of 2‐aminobenzothiazoles via I2‐catalyzed tandem cyclization reaction of amines and carbon disulfide has been developed. The present approach starts from simple and readily available starting materials, affording a series of 2‐aminobenzothiazoles in up to 89% yields under metal‐free conditions. In this work, C—H/N—H functionalization was achieved and multiple C‐hetero bonds were successfully constructed in one pot. [ABSTRACT FROM AUTHOR]

Thiram is a toxic fungicide extensively used for the management of pathogens in fruits. Although it is known that thiram degrades in plant tissues, the key enzymes involved in this process remain unexplored. In this study, we report that a tau class glutathione S-transferase (GST) from Carica papaya can degrade thiram. This enzyme was easily obtained by heterologous expression in Escherichia coli, showed low promiscuity toward other thiuram disulfides, and catalyzed thiram degradation under physiological reaction conditions. Site-directed mutagenesis indicated that G-site residue S67 shows a key in- fluence for the enzymatic activity toward thiram, while mutation of residue S13, which reduced the GSH oxidase activity, did not significantly affect the thiram-degrading activity. The formation of dimethyl dithiocarbamate, which was subsequently converted into carbon disulfide, and dimethyl dithiocarbamoylsulfenic acid as the thiram degradation products suggested that thiram undergoes an alkaline hydrolysis that involves the rupture of the disulfide bond. Application of the GST selective inhibitor 4- chloro-7-nitro-2,1,3-benzoxadiazole reduced papaya peel thiram-degrading activity by 95%, indicating that this is the main degradation route of thiram in papaya. GST from Carica papaya also catalyzed the degradation of the fungicides chlorothalonil and thiabendazole, with residue S67 showing again a key influence for the enzymatic activity. These results fill an important knowledge gap in understanding the catalytic promiscuity of plant GSTs and reveal new insights into the fate and degradation products of thiram in fruits. [ABSTRACT FROM AUTHOR]

Some of triazole derivatives are synthesized by cyclization reaction of thiocarbohydrazide synthesized by reaction of carbon disulphide and aqueous hydrazine; the basic nucleus 3-methyl-4-amino-1,2,4-triazole-5-thione (L) is prepared by reaction of thiocarbohydrazide compound with glacial acetic acid under reflux condition. The compound (L) is subjected to addition reaction with different aldehydes to synthesize Schiff bases 1,3[N,N-Bis(5-methyl-1,3,4- triazole-2-thione)] benzene (L1) and 1,4[N,N-Bis(5-methyl-1,3,4-triazole-2- thione)] benzene (L2). The compounds (L1) and (L2) are confirmed by means of their melting point, FTIR, UV-visible, and ¹H-NMR spectra. [ABSTRACT FROM AUTHOR]

Exposure to carbon disulfide (CS2) is a recognized risk factor in the pathogenesis of Parkinson’s disease, yet the underlying mechanisms of deleterious effects on mitochondrial integrity have remained elusive. Here, through establishing CS2 exposure models in rat and SH-SY5Y cells, we demonstrated that highly expressed α-synuclein (α-Syn) is transferred to mitochondria via membrane proteins such as Tom20 and leads to mitochondrial dysfunction and mitochondrial oxidative stress, which ultimately causes neuronal injury. We first found significant mitochondrial damage and oxidative stress in CS2-exposed rat midbrain and SH-SY5Y cells and showed that mitochondrial oxidative stress was the main factor of mitochondrial damage by Mitoquinone intervention. Further experiments revealed that CS2 exposure led to the accumulation of α-Syn in mitochondria and that α-Syn co-immunoprecipitated with mitochondrial membrane proteins. Finally, the use of an α-Syn inhibitor (ELN484228) and small interfering RNA (siRNA) effectively mitigated the accumulation of α-Syn in neurons, as well as the inhibition of mitochondrial membrane potential, caused by CS2 exposure. In conclusion, our study identifies the translocation of α-Syn to mitochondria and the impairment of mitochondrial function, which has important implications for the broader understanding and treatment of neurodegenerative diseases associated with environmental toxins.

Carbon disulfide (CS2) has recently gained attention as an important precursor for the atmospheric trace gas carbonyl sulfide (OCS), which delivers sulfur to the stratospheric sulfur layer and impacts the radiative budget of the Earth. CS2 is naturally produced in the ocean and emitted to the atmosphere. However, the magnitude of its marine emissions is only poorly constrained due to lacking understanding of its production and consumption processes. Here, we present incubation experiments with and without UV light treatment and provide evidence for a previously not considered UV‐light‐driven degradation process of CS2 in seawater, following first‐order kinetics. In addition to its already known photochemical production process, CS2 production is found in the dark, depending on the amount of dissolved organic sulfur present in seawater. We provide novel production and consumption rates of CS2 in seawater that pave the way toward mechanistically quantifying marine emissions of this important trace gas. Plain Language Summary: The gas carbon disulfide (CS2) impacts the climate system of our planet as a precursor for sulfate aerosols. CS2 is naturally produced in the ocean, but how much marine CS2 is emitted to the atmosphere is not well known. In our study, we have experimentally derived production and degradation rates of CS2 in seawater and found processes that have previously not been considered: CS2 is degraded by UV radiation in seawater, and is produced in the absence of light. This dark production increases with the amount of dissolved organic sulfur in the water. Our results help to understand the production and degradation of CS2 in seawater, which is needed to quantify its emissions to the atmosphere. Key Points: Carbon disulfide in seawater is degraded by UV light at time scales of daysCarbon disulfide is produced in seawater without UV light at rates comparable to photochemical productionCarbon disulfide dark production is limited by dissolved organic sulfur [ABSTRACT FROM AUTHOR]

This paper presents an efficient one-pot approach for synthesizing hydroxylated 1,3-dithiane-pyrazolone hybrids. The process involves a reaction between pyrazolone derivatives, carbon disulfide, and epichlorohydrin (ECH). The structures of the produced 1,3-dithian-pyrazolone hybrids are determined based on their IR, 1H NMR, 13C NMR, and Mass spectroscopic data. Analysis of the 1H NMR spectra of compounds 4b and 4d revealed first-order splitting of the methylene hydrogens of the 1,3-dithian moiety, indicating that the OH group occupies an axial position in the preferred conformation of these derivatives. Despite the use of optically pure ECH as a starting material, racemization of products occurs during the reaction. The proposed reaction mechanism provides a rational explanation for this observation. [ABSTRACT FROM AUTHOR]

In this paper, the physical adsorption of volatile organic compounds (VOCs) such as methyl chloride (CH3Cl), carbon disulfide (CS2), dimethyl sulfide (C2H6S), and benzene (C6H6) by three models of activated carbon (without a functional group, with a pyridine-containing functional group, and with a pyrrole-containing functional group) was simulated. The surface electrostatic potential (ESP), physical adsorption energy, and non-covalent interaction between activated carbon and VOC molecules were analyzed based on the density functional theory (DFT). The effect mechanism of nitrogen-containing functional groups on VOC adsorption by activated carbon was determined. Our simulations showed that nitrogen-containing functional groups can change the surface ESP and polarity of activated carbon. The pyrrole functional group is conducive to CH3Cl and CS2 adsorption on the activated carbon plane, while the pyridine functional group is relatively small or even unfavorable for CH3Cl and CS2 adsorption on the activated carbon plane. The promotional effect of the pyrrole functional group on the adsorption of C2H6S is more significant than that of the pyridine functional group. The adsorption of C6H6 on activated carbon occurs through parallel-displaced π–π stacking interactions, in which functional groups have little influence on it. The adsorption energy of VOCs on the activated carbon plane is higher than that at the edge, so VOCs are more likely to be adsorbed on the activated carbon plane. [ABSTRACT FROM AUTHOR]

The polymerization of fullerenes is a significant method for obtaining fullerene-based materials that possess intriguing properties. Metallofullerenes, as a notable type of fullerene derivatives, are also capable of undergoing polymerization, potentially resulting in the creation of metallofullerene polymers. However, there is currently limited knowledge regarding the polymerization process of metallofullerenes. In this study, we have selected Ca@C   60 as a representative compound to investigate the polymerization process of metallofullerenes. The objective of this research is to determine whether the polymerization process is energetically favorable and to examine how the electronic properties of the metallofullerene are altered throughout the polymerization process. Ca@C   60 is a unique metallofullerene molecule that exhibits insolubility in common fullerene solvents like toluene and carbon disulfide but is soluble in aniline. This behavior suggests a potential tendency for Ca@C   60 to form oligomers and polymers that resist dissolution. However, the structures and properties of polymerized Ca@C   60 remain unknown. We employed density functional theory calculations to investigate the stability and electronic properties of one-dimensional and two-dimensional Ca@C   60 oligomers and polymers. Our findings indicate that the coalescence of Ca@C   60 monomers is energetically favorable, with a significant contribution from van der Waals interactions between the fullerene cages. The polymerization process of Ca@C   60 also involves the formation of covalent linkages, including four-atom rings and C-C single bonds. The increase in the number of the Ca@C   60 units to three and four in the oligomer leads to a significant decrease in the HOMO-LUMO gap. In the two-dimensional polymerized Ca@C   60 , the organization of the monomers closely resembles the spatial configuration of carbon atoms in graphene. With a direct bandgap of 0.22 eV, the polymerized Ca@C   60 holds potential for utilization in optoelectronic devices. [ABSTRACT FROM AUTHOR]

Pyrolysis of waste tyres produces harmful hydrogen sulfide and other mercaptan compounds as by-products. The current study is concerned with the purification of hydrogen-rich pyrolysis gas from hydrogen sulfide gas that is present in a great amount (up to 5.1% mol at 420 °C), and mercaptans that are also problematic impurities. The method proposed is absorption by alkanolamines which is one of the most economical methods applied in natural gas sweetening. However, it has not been adopted in waste tyre pyrolysis gas purification yet. Two organic absorbents were tested, diethanolamine (DEA), N-methyldiethanolamine (MDEA) as well as theirs blends, at various concentrations. The application of 30 wt% DEA in water reduced H 2 S emission by 98%. In turn, 40 wt% MDEA aqueous solutions reduced H 2 S emission by 97%. The best results were produced when 30 wt% DEA was mixed with 40 wt% of MDEA (1:1 vol ratio) which allowed a removal of 99% of H 2 S from the pyrolysis gas. Moreover, the maximum H 2 S emission was 7 ppm, and a level below 5 ppm was kept for 99% of experiments duration. Finally, the application of this mixture also reduced significantly the concentrations of other sulfur-containing compounds such as methyl mercaptan and carbonyl sulfide (a minimum of 98%), ethyl mercaptan (∼90%), and carbon disulphide (by more than 99%). Thus, aqueous solvent mixture of 30 wt% DEA with 40 wt% of MDEA (1:1 v/v) can be recommended as a potential desulfurization method for waste tyres pyrolysis gas. • Pyrolysis gas is a valuable fuel, but it needs pre-treatment focused on desulfurization. • Raw pyrolysis gas contains high concentrations of H 2 S (up to 5.1%) and mercaptans. • Solutions of alkanolamines can be applied in desulfurization of pyrolysis gas. • DEA, MDEA and as their blends are effective in cleaning pyrolytic gas from H 2 S (>97%). • Blends of DEA/MDEA can also remove other sulfur containing compounds. [ABSTRACT FROM AUTHOR]

Sulfur-containing gases are main sources of landfill odors, which has become a big issue for pollution to environment and human health. Biocover is promising for treating landfill odors, with advantages of durability and environmental friendliness. In this study, charcoal sludge compost was utilized as the main effective component of a novel alternative landfill cover and the in situ control of sulfur-containing odors from municipal solid waste landfilling process was simulated under nine different operating conditions. Results showed that five sulfur-containing odors (hydrogen sulfide, H2S; methyl mercaptan, CH3SH; dimethyl sulfide, CH3SCH3; ethylmercaptan, CH3CH2SH; carbon disulfide, CS2) were monitored and removed by the biocover, with the highest removal efficiencies of 77.18% for H2S, 87.36% for CH3SH, and 92.19% for CH3SCH3 in reactor 8#, and 95.94% for CH3CH2SH and 94.44% for CS2 in reactor 3#. The orthogonal experiment showed that the factors influencing the removal efficiencies of sulfur-containing odors were ranked from high to low as follows: temperature > weight ratio > humidity content. The combination of parameters of 20% weight ratio, 25°C temperature, and 30% water content was more recommended based on the consideration of the removal efficiencies and economic benefits. The mechanisms of sulfur conversion inside biocover were analyzed. Most organic sulfur was firstly degraded to reduced sulfides or element sulfur, and then oxidized to sulfate which could be stable in the layer as the final state. In this process, sulfur-oxidizing bacteria play a great role, and the distribution of them in reactor 1#, 5#, and 8# was specifically monitored. Bradyrhizobiaceae and Rhodospirillaceae were the dominant species which can utilize sulfide as substance to produce sulfate and element sulfur, respectively. Based on the results of OUTs, the biodiversity of these sulfur-oxidizing bacteria, these microorganisms, was demonstrated to be affected by the different parameters. These results indicate that the novel alternative landfill cover modified with bamboo charcoal compost is effective in removing sulfur odors from landfills. Meanwhile, the findings have direct implications for addressing landfill odor problems through parameter adjustment. [ABSTRACT FROM AUTHOR]

Carbon disulfide dimer (CS2)2 is a model system that has been widely studied in the field of computational chemistry because of its relevance to a variety of chemical and biological processes. The (CS2)2 dimer is a relatively simple molecular system composed of two carbon disulfide (CS2) molecules interacting with each other through intermolecular forces. Despite its apparent simplicity, the (CS2)2 dimer exhibits a rich array of structural and dynamical properties that are of great interest to researchers. In this research, we present an ab initio study of the intermolecular interactions in the carbon disulfide dimer (CS2)2 using an improved Lennard–Jones (ILJ) potential with CCSD(T)/QZVPP calculations. The potential energy surface of (CS2)2 is calculated using high‐level quantum mechanical calculations based on the CCSD(T)/def2‐qzvpp method, which accurately accounts for electron correlation effects. The resulting potential energy surface is then fitted to an ILJ potential energy function, which includes both long‐range dipole–dipole interactions and short‐range repulsive interactions. The calculated potential energy surface reveals a rich variety of structural and dynamical properties of (CS2)2, including multiple minima and saddle points, which are sensitive to the relative orientation of the two CS2 molecules. It is essential to use extended basis sets to accurately incorporate the significant quadrupole moment of CS2, which we have calculated to be 2.44 a.u. The results of this study demonstrate the importance of using high‐level ab initio methods for the accurate calculation of potential energy surfaces in complex molecular systems such as (CS2)2. The use of an ILJ potential, which takes into account both dipole–dipole interactions and short‐range repulsive interactions, provides a more accurate and efficient approach for modeling intermolecular interactions in (CS2)2 and other similar systems. The results of this study will be useful for understanding the behavior of carbon disulfide dimers in different environments and for the development of new materials and chemical processes. [ABSTRACT FROM AUTHOR]

The sensing of different liquids is investigated with micro-ring resonator (MRR) sensor by changing refractive index (RI) of chemical solutions. Aniline, carbon disulphide, chlorobenzene, chloroform, ethanol, glycerin, and methanol are detected using the proposed MRR. The developed structures are simulated using finite difference-time domain (FDTD) by using DFT analyzer of optical field. The normalized amplitude vs. wavelength is measured by changing RI of inner ring waveguide that obtain liquid sensor with high sensitivity. [ABSTRACT FROM AUTHOR]

Abstract Carbon disulfide (CS2) has recently gained attention as an important precursor for the atmospheric trace gas carbonyl sulfide (OCS), which delivers sulfur to the stratospheric sulfur layer and impacts the radiative budget of the Earth. CS2 is naturally produced in the ocean and emitted to the atmosphere. However, the magnitude of its marine emissions is only poorly constrained due to lacking understanding of its production and consumption processes. Here, we present incubation experiments with and without UV light treatment and provide evidence for a previously not considered UV‐light‐driven degradation process of CS2 in seawater, following first‐order kinetics. In addition to its already known photochemical production process, CS2 production is found in the dark, depending on the amount of dissolved organic sulfur present in seawater. We provide novel production and consumption rates of CS2 in seawater that pave the way toward mechanistically quantifying marine emissions of this important trace gas.