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SUMMARY: Among the three active aldehyde oxidases in Arabidopsis thaliana leaves (AAO1‐3), AAO3, which catalyzes the oxidation of abscisic‐aldehyde to abscisic‐acid, was shown recently to function as a reactive aldehyde detoxifier. Notably, aao2KO mutants exhibited less senescence symptoms and lower aldehyde accumulation, such as acrolein, benzaldehyde, and 4‐hydroxyl‐2‐nonenal (HNE) than in wild‐type leaves exposed to UV‐C or Rose‐Bengal. The effect of AAO2 expression absence on aldehyde detoxification by AAO3 and/or AAO1 was studied by comparing the response of wild‐type plants to the response of single‐functioning aao1 mutant (aao1S), aao2KO mutants, and single‐functioning aao3 mutants (aao3Ss). Notably, aao3Ss exhibited similar aldehyde accumulation and chlorophyll content to aao2KO treated with UV‐C or Rose‐Bengal. In contrast, wild‐type and aao1S exhibited higher aldehyde accumulation that resulted in lower remaining chlorophyll than in aao2KO leaves, indicating that the absence of active AAO2 enhanced AAO3 detoxification activity in aao2KO mutants. In support of this notion, employing abscisic‐aldehyde as a specific substrate marker for AAO3 activity revealed enhanced AAO3 activity in aao2KO and aao3Ss leaves compared to wild‐type treated with UV‐C or Rose‐Bengal. The similar abscisic‐acid level accumulated in leaves of unstressed or stressed genotypes indicates that aldehyde detoxification by AAO3 is the cause for better stress resistance in aao2KO mutants. Employing the sulfuration process (known to activate aldehyde oxidases) in wild‐type, aao2KO, and molybdenum‐cofactor sulfurase (aba3‐1) mutant plants revealed that the active AAO2 in WT employs sulfuration processes essential for AAO3 activity level, resulting in the lower AAO3 activity in WT than AAO3 activity in aao2KO. Significance Statement: The current study demonstrates that impairment of AAO2 causes enhancement of AAO3 activity and carbonyl aldehyde detoxification increase in Arabidopsis. [ABSTRACT FROM AUTHOR]

[Display omitted] Metal-organic frameworks (MOFs) are highly suitable precursors for supercapacitor electrode materials owing to their high porosity and stable backbone structures that offer several advantages for redox reactions and rapid ion transport. In this study, a carbon-coated Ni 9 S 8 composite (Ni 9 S 8 @C-5) was prepared via sulfuration at 500 ℃ using a spherical Ni-MOF as the sacrificial template. The stable carbon skeleton derived from Ni-MOF and positive structure–activity relationship due to the multinuclear Ni 9 S 8 components resulted in a specific capacity of 278.06 mAh·g−1 at 1 A·g−1. Additionally, the hybrid supercapacitor (HSC) constructed using Ni 9 S 8 @C-5 as the positive electrode and the laboratory-prepared coal pitch-based activated carbon (CTP-AC) as the negative electrode achieved an energy density of 69.32 Wh·kg−1 at a power density of 800.06 W·kg−1, and capacity retention of 83.06 % after 5000 cycles of charging and discharging at 5 A·g−1. The Ni-MOF sacrificial template method proposed in this study effectively addresses the challenges associated with structural collapse and agglomeration of Ni 9 S 8 during electrochemical reactions, thus improving its electrochemical performance. Hence, a simple preparation method is demonstrated, with broad application prospects in supercapacitor electrodes. [ABSTRACT FROM AUTHOR]

6‐Thioguanine (6TG) is a clinically used antitumor agent that was rationally designed as a DNA‐targeting antimetabolite, but it also occurs naturally. 6TG is a critical virulence factor produced by Erwinia amylovorans, a notorious plant pathogen that causes fire blight of pome fruit trees. The biosynthesis of the rare thioamide metabolite involves an adenylating enzyme (YcfA) and a sulfur‐mobilizing enzyme (YcfC), but the mechanism of sulfur transfer and putative intermediates have remained elusive. Through dissection and in vitro reconstitution of the thionation process using diverse substrates, we uncover an intermediate, prodrug‐like thio‐conjugate and elucidate the precise enzyme functions. YcfA not only adenylates GMP but also transfers the mercapto group of l‐cysteine to the activated carbonyl. A designated C−S lyase (YcfC) then cleaves the resulting S‐adduct to yield the thioamide. This pathway is distinct from canonical tRNA sulfur modifications and known enzymatic peptide thionations. By exploring a wide range of substrate surrogates, we exploited the tolerance of the enzyme pair to produce even a seleno analog. This study provides valuable insight into a previously unexplored area of bacterial thioamide formation and lays the groundwork for synthetic biology approaches to produce thioamide antimetabolites. [ABSTRACT FROM AUTHOR]

Organic p‐type cathodes have captured increasing attention for lithium‐organic batteries due to their high voltage output. However, because of the low electronic and ionic conductivity, the p‐type organic electrode materials often show sluggish reaction kinetics and hence low capacities and poor cyclability. In this work, three conjugated polymers (Pz‐TPPO, Pz‐TPPS, and Pz‐TPP) based on p‐type phenazine linked with triphenyl phosphine are reported with different chemical modifications of phosphorus atom. Through oxidation and sulfuration of phosphorus atoms, the electron‐accepting property strength is increased, resulting in higher electronic conductivity of Pz‐TPPO and Pz‐TPPS. It is also found that the P═O unit in Pz‐TPPO exhibits stronger Li+ coordination, which can bring anions into close proximity to the redox centers, further improving the anion shuttling during charge and discharge. All these lead to the best lithium‐organic battery performance of Pz‐TPPO, such as high voltage output (3.1–3.9 V), high reversible specific capacity (149 mAh g−1 at 0.2 A g−1) and excellent cycle stability. The potential application has also been demonstrated in Pz‐TPPO//graphite full battery. This work provides a novel strategy for designing donor–acceptor (D–A) conjugated polymer by simple phosphorus modification toward high‐performance organic batteries. [ABSTRACT FROM AUTHOR]

A comprehensive study of the different classes of cycloaddition reactions ([3+2], [2+2], and [2+1]) of SO2 to acetylene and ethylene has been performed using density functional theory (DFT) and composite wavefunction methods. The [3+2] cycloaddition reaction, that was previously explored in the context of the cycloaddition of thioformaldehyde S‐methylide (TSM) to ethylene and acetylene, proceeds in a concerted way to the formation of stable heterocycles. In this paper, we extend our study to the [2+2] and [2+1] cycloadditions of SO2 to acetylene, which would produce 1,1‐oxathiete‐2‐oxide and thiirene‐1,1‐dioxide, respectively. One of the main conclusions is that cyclic 1,1‐oxathiete‐2‐oxide can open through a relatively easy breaking of the SO single bond and rearrange toward sulfinyl acetaldehyde (SA). The SA molecule can easily undergo several internal rearrangements, which eventually lead to sulfenic acid and sulfoxide derivatives of ethenone, 1,2,3‐dioxathiole, and CO plus sulfinylmethane. The most probable path, however, produces 2‐thioxoacetic acid, whose derivatives (or those of the corresponding acetate) are usually obtained by Willgerodt–Kindler‐type sulfuration of acetates. This product can in turn decompose, leading to the final products CO2 and H2CS. Comparison of this decomposition path with that of 2‐amino‐2‐thioxoacetic acid shows that the process occurs through different H‐transfer processes. [ABSTRACT FROM AUTHOR]

Hydrogen production by H2S catalytic thermal decomposition was studied using Co mesostructured catalysts, directly synthesized by the Evaporation-Induced Self-Assembly method with molar ratios Co/Si of 0.01, 0.05, and 0.10. Cobalt was incorporated into the tetracoordinate silica structure, and lesser amounts of cobalt were left outside the structure in the spinel species of Co3O4. The H2S decomposition reaction was conducted at 400–800 °C under atmospheric pressure and continuous flow. The catalytic activity of catalysts was increased with the rising of temperature, reaching H2 maximum conversions at 800 °C; the conversion at this temperature for 0.01Co–SBA-15 was 28.4%, 0.05Co–SBA-15 was 29.5%, and 38.0% for 0.10Co–SBA-15. All catalysts showed high stability during the reaction without apparent deactivation, and the best activity was for 0.10Co–SBA-15, with a reaction rate of 0.63 mol h−1 g−1 and an energy activation of 51 kJ mol−1. During the reaction, cobalt oxidized phases were transformed into the sulphurated phase CoS by simultaneous reduction and sulphuration processes, which are due to the stream of H2S and the temperature. On the other hand, the sulfur formed was condensed as a yellow solid in the reactor outlet. The results showed that the experimental approach is an efficient alternative for synthesizing Co catalysts under soft conditions, with high activity and stability in H2 and sulfur production using a problematic gas. [ABSTRACT FROM AUTHOR]

Perylenediimides (PDIs) are composed of a central perylene ring, on which are grafted two imide groups at the peri positions. Thionated PDIs are characterized by the substitution of one or more oxygen atoms of these imide functions with sulfur atoms. This structural modification alters the electronic properties with a redshift of the optical absorption accompanied by modification of the charge transport characteristics compared to their non-thionated counterparts. These properties make them suitable candidates for applications in optoelectronic devices, such as organic light-emitting diodes and organic photovoltaics. Moreover, the presence of sulfur atom(s) can favor the promotion of reactive oxygen species production for photodynamic and photothermal therapies. These thionated PDIs can be synthesized through the post-functionalization of PDIs by using a sulfurizing reagent. Nevertheless, the main drawbacks remain the difficulties in adjusting the degree of thionation and obtaining tri- and tetrathionated PDIs. Up to now, this thionation reaction has been described almost exclusively using Lawesson's reagent. In the current study, we present our first investigations into an alternative reagent to enhance selectivity and achieve a greater degree of thionation. The association of phosphorus pentasulfide with hexamethyldisiloxane (Curphey's reagent) clearly demonstrated higher reactivity compared with Lawesson's reagent to attain multi-thionated PDIs. [ABSTRACT FROM AUTHOR]

A visible‐light‐induced strategy has been explored for the synthesis of naphtho[2,1‐d]thiazol‐2‐amines through ortho‐C−H sulfuration of 2‐isocyanonaphthalenes with elemental sulfur and amines under external photocatalyst‐free conditions. This three‐component reaction, which utilizes elemental sulfur as the odorless sulfur source, molecular oxygen as the clean oxidant, and visible light as the clean energy source, provides a mild and efficient approach to construct a series of naphtho[2,1‐d]thiazol‐2‐amines. Preliminary mechanistic studies indicated that visible‐light‐promoted photoexcitation of reaction intermediates consisting of thioureas and DBU might be involved in this transformation. [ABSTRACT FROM AUTHOR]

In light of the important biological activities and widespread applications of organic disulfides, dithiocarbamates, xanthates, thiocarbamates and thiocarbonates, the continual persuit of efficient methods for their synthesis remains crucial. Traditionally, the preparation of such compounds heavily relied on intricate multi‐step syntheses and the use of highly prefunctionalized starting materials. Over the past two decades, the direct sulfuration of C−H bonds has evolved into a straightforward, atom‐ and step‐economical method for the preparation of organosulfur compounds. This review aims to provide an up‐to‐date discussion on direct C−H disulfuration, dithiocarbamation, xanthylation, thiocarbamation and thiocarbonation, with a special focus on describing scopes and mechanistic aspects. Moreover, the synthetic limitations and applications of some of these methodologies, along with the key unsolved challenges to be addressed in the future are also discussed. The majority of examples covered in this review are accomplished via metal‐free, photochemical or electrochemical approaches, which are in alignment with the overraching objectives of green and sustainable chemistry. This comprehensive review aims to consolidate recent advancements, providing valuable insights into the dynamic landscape of efficient and sustainable synthetic strategies for these crucial classes of organosulfur compounds. [ABSTRACT FROM AUTHOR]

Bacteria have two routes for the L-methionine biosynthesis. In one route called the direct sulfuration pathway, acetylated L-homoserine is directly converted into L-homocysteine. The reaction using H2S as the second substrate is catalyzed by a pyridoxal 5'-phosphate-dependent enzyme, O-acetylhomoserine sulfhydrylase (OAHS). In the present study, we determined the enzymatic functions and the structures of OAHS from Lactobacillus plantarum (LpOAHS). The LpOAHS enzyme exhibited the highest catalytic activity under the weak acidic pH condition. In addition, crystallographic analysis revealed that the enzyme takes two distinct structures, open and closed forms. In the closed form, two acidic residues are sterically clustered. The proximity may cause the electrostatic repulsion, inhibiting the formation of the closed form under the neutral to the basic pH conditions. We concluded that the pH-dependent regulation mechanism using the two acidic residues contributes to the acidophilic feature of the enzyme. [ABSTRACT FROM AUTHOR]

Hollow cubic nanoheterojunction in SnS 2 /CdS is obtained via in situ sulfuration-hydrothermal-chemical deposition. The SnS 2 /CdS nanoheterojunction (SnS 2 /CdS-3) exhibits remarkable enhanced photocatalytic HER (∼1424.56 μmol g−1 h−1) and photodegradation than normal CdS (∼72/∼28 folds) and SnS 2 (∼148/∼29 folds). In this structure, the SnS 2 /CdS heterojunction with greater Fermi levels gradient can promote interface carrier drive to optimize carrier efficiency, the hollow cubic structure can provide numerous active sites to decreased overpotential and promote electron diffusion, and increase light reflections, including inhibiting photocorrosion and maintaining structural stability. [Display omitted] • Heterojuction with greater Fermi levels gradient can optimize carrier efficiency. • Hollow cubic structure can increase active sites to promote electron diffusion. • Hollow cubic structure can shorten carrier pathway to inhibit photocorrosion. [ABSTRACT FROM AUTHOR]

Heterostructured Fe2O3/Fe7S8 hollow fibers were rationally designed and synthesized via the electrospinning technique, followed by a calcination process and sulfuration treatment. Benefitting from the synergistic effect of the hollow structure and the built-in electric field induced by the heterostructure, the as-prepared Fe2O3/Fe7S8 composite anode exhibits high specific capacity (947 mA h g−1 after 100 cycles at 0.2 A g−1), excellent rate capability, and long-term cycling stability (730 mA h g−1 after 1000 cycles at 1 A g−1). [ABSTRACT FROM AUTHOR]

Copyright of Petroleum Refinery Engineering is the property of Petroleum Refinery Engineering Editorial Office 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.)

The C-S bond is one of the most fundamental chemical bonds in synthetic chemistry. However, how to control the highly reactive thiyl radical and develop new strategies for forming C-S bonds remains a challenging yet elusive objective. Herein, we demonstrate that a triple radical catalytic cycle, specifically the combination of organic photocatalysis, hydrogen atom transfer (HAT) catalysis and a programmed radical relay cycle, can be leveraged to enable the [3 + 2] radical sulfuration of alkenes by carrying out multi-component radical cross-coupling. CS2 is a masked 1,3-disulfur radical equivalent, successfully leading to five-memberedring sulfur-containing scaffolds with six C-S bonds. This visiblelight-mediated organic photocatalytic mechanism can allow multiple reactive radicals to be used programmatically. Applying this strategy enables us to find new methods for forming chemical bonds that had previously been inaccessible or uninvestigated. [ABSTRACT FROM AUTHOR]

The conditions were developed and the optimal temperature regime was selected for a selective thionation of 5-aryl-3-[(dimethylamino)-methylidene]furan-2(3H)-ones with Lawesson's reagent. The stereochemistry of the synthesized 3-[(dimethylamino)methylidene]furan-2(3H)-thiones was established. Based on this, a number of 3-arylaminomethylidenefuran-2(3H)-thiones were synthesized via transamination reaction. [ABSTRACT FROM AUTHOR]

All kingdoms of life have more than 150 different forms of RNA alterations, with tRNA accounting for around 80% of them. These chemical alterations include, among others, methylation, sulfuration, hydroxylation, and acetylation. These changes are necessary for the proper codon recognition and stability of tRNA. In Escherichia coli, sulfur modification at the wobble uridine (34) of lysine, glutamic acid, and glutamine is essential for codon and anticodon binding and prevents frameshifting during translation. Two important proteins that are involved in this thiolation modification are the L-cysteine desulfurase IscS, the initial sulfur donor, and tRNA-specific 2-thiouridylase MnmA, which adenylates and finally transfers the sulfur from IscS to the tRNA. tRNA-specific 2-thiouridylases are iron–sulfur clusters (Fe-S), either dependent or independent depending on the organism. Here, we dissect the controversy of whether the E. coli MnmA protein is an Fe-S cluster-dependent or independent protein. We show that when Fe-S clusters are bound to MnmA, tRNA thiolation is inhibited, making MnmA an Fe-S cluster-independent protein. We further show that 2-thiouridylase only binds to tRNA from its own organism. [ABSTRACT FROM AUTHOR]

A core/shell CoS/MoS 2 microflower with CoS/MoS 2 /CoS dual-heterojunctions, resembling a "ball of yarn," is successfully fabricated using a structure-breaking sulfuration strategy. The unique catalyst design of this system showcases dual built-in electric fields at the hierarchical interfaces, effectively enhancing the adsorption behavior of catalytic intermediates and reducing energy barriers in catalytic reactions for cost-effective hydrogen production and environmentally-friendly sulfion recycling. [Display omitted] • A "ball of yarn" microflower with CoS/MoS 2 /CoS dual-heterojunctions is fabricated via a structure-breaking sulfuration strategy. • The work function difference between CoS and MoS 2 induces electron polarization, creating dual built-in electric fields at interfaces. • The electrocatalytic coupling system only needs a cell voltage of 0.528 V at 10 mA/cm², maintaining long-term durability for over 168 hours. • DFT calculations confirm that CoS/MoS 2 interfaces enhance electron transfer, optimize catalytic adsorption, and lower energy barriers. Substituting the sluggish oxygen evolution reaction with the sulfur oxidation reaction can significantly reduce energy consumption and eliminate environmental pollutants during hydrogen generation. However, the progress of this technology has been hindered due to the lack of cost-effective, efficient, and durable electrocatalysts. In this study, we present the design and construction of a hierarchical metal sulfide catalyst with a gradient structure comprising nanoparticles, nanosheets, and microparticles. This was achieved through a structure-breaking sulfuration strategy, resulting in a "ball of yarn"-like core/shell CoS/MoS 2 microflower with CoS/MoS 2 /CoS dual-heterojunctions. The difference in work functions between CoS and MoS 2 induces an electron polarization effect, creating dual built-in electric fields at the hierarchical interfaces. This effectively modulates the adsorption behavior of catalytic intermediates, thereby reducing the energy barrier for catalytic reactions. The optimized catalyst exhibits outstanding electrocatalytic performance for both the hydrogen evolution reaction and the sulfur oxidation reaction. Remarkably, in the assembled electrocatalytic coupling system, it only requires a cell voltage of 0.528 V at 10 mA cm−2 and maintains long-term durability for over 168 h. This work presents new opportunities for low-cost hydrogen production and environmentally friendly sulfion recycling. [ABSTRACT FROM AUTHOR]

Nickel-molybdenum (NiMo) alloys are a kind of promising HER electrocatalysts to supersede precious metal based materials due to their highly active hydrogen evolution reaction (HER) kinetics in alkaline solution. However, the poor stability of NiMo, caused by the Mo dissolution mainly due to the thermodynamically instability of Mo in alkaline media, significantly limits its practical applications. Herein, a facile strategy is developed to modify the surface of the electrodeposited NiMo alloy film via a simple surface sulphuration treatment. Material characterizations show that the NiS homogeneously covers the surface of the NiMo alloy, resulting in a NiS/NiMo heterostructure. Electrochemical measurements show that the NiS/NiMo heterostructure exhibits outstanding HER activity (η -10 mA cm-2 = 77 mV) and good stability for 24 h stability test. Surprisingly, the heterostructure also displays excellent OER kinetics by delivering an ultra-low overpotential of 245 mV (10 mA cm−2). The constructed electrolyzer with NiS/NiMo acted as both cathode and anode needs only 1.547 V to power the water splitting at 10 mA cm−2. The formation of heterostructure and the enhanced electrochemically active surface area are responsible for the exceptional HER/OER electrocatalytic performance. This work offers a simple way to build sulfide/alloy heterostructures to improve the electrocatalytic activity of electrocatalysts. A surface sulphuration strategy was proposed and applied to construct a NiS/NiMo heterostructure for HER/OER in alkaline media, which was found to further improve the HER kinetics and solve the HER stability problem of NiMo, and to achieve a satisfactory OER performance, resulting in an outstanding overall water splitting performance (1.547 V at 10 mA cm−2). [Display omitted] • A surface sulphuration strategy was developed to prepare NiS/NiMo heterostructure. • Surface sulphuration was proved to overcome the HER degradation of NiMo alloy. • The NiS/NiMo also exhibited superior OER performance in alkaline media. • The constructed electrolyzer with NiS/NiMo required only a 1.547 V at 10 mA cm−2 [ABSTRACT FROM AUTHOR]

Morphological design and interfacial engineering are pivotal strategies for advancing electrocatalysis, however, achieving the optimization of both simultaneously remains a major challenge. To address this, we designed a multi-heterostructured bifunctional electrocatalyst cobalt-nickel-iron-phosphorus-sulfur composite (CoNiFe-PS) with a two-dimensional/three-dimensional (2D/3D) hierarchical structure, which was synthesized through simultaneous phosphating and sulfuration based on cobalt-nickel layered double hydroxide (CoNi-LDH) nanosheets grafted with Prussian blue analogue (PBA) nanocubes. Notably, due to the distinctive morphology and synergistic effect between multi-heterostructure, the CoNiFe-PS catalyst demonstrated excellent performance in terms of ultralow overpotentials of 196 and 263 mV for oxygen evolution reaction (OER), as well as 63 and 235 mV for hydrogen evolution reaction (HER) at current densities of 10 and 100 mA cm−2. Moreover, the CoNiFe-PS|| CoNiFe-PS cell was constructed for overall water splitting in alkaline condition and exhibited minimal voltage requirements of 1.479 and 1.693 V to achieve 10 and 100 mA cm−2, respectively. This study provides a new perspective on fabricating multi-heterostructured bifunctional catalysts with unique morphology for highly efficient overall water splitting. [Display omitted] • The 2D/3D hierarchical and multi-heterostructured CoNiFe-PS catalyst was constructed. • The synergetic effect of morphological design and interfacial engineering greatly enhanced the catalytic activity. • The catalyst exhibited an ultrasmall voltage of 1.479 V at 10 mA cm−2 for overall water splitting. • It provided a design idea to fabricate high-performance bifunctional catalysts. [ABSTRACT FROM AUTHOR]

The document is the contents list for the journal "Chemical Communications" published on January 28, 2024. It includes a variety of articles on topics such as metal exsolution from perovskite-based anodes in solid oxide fuel cells, colloidal quantum dot materials for next-generation near-infrared optoelectronics, and recent progress in multi-resonance thermally activated delayed fluorescence emitters. The journal is published by The Royal Society of Chemistry and aims to connect the world with the chemical sciences. [Extracted from the article]

Herein, we developed a synthetic strategy for the direct construction of C–S bonds to obtain biologically active sulfur-containing compounds and a methodology involving the reductive sulfuration of aldehydes or ketones to obtain diverse substituted thiol, disulfide, and thioester derivatives. EtOCS2K is demonstrated as a potential substitute for the Berzelius reagent or Lawesson's reagent for the construction of C–S bonds. [ABSTRACT FROM AUTHOR]

A series of polyacrylonitrile (PAN)-based block copolymers with poly(methyl methacrylate) (PMMA) as sacrificial bock were synthesized by atom transfer radical polymerization and used as precursors for the synthesis of porous carbons. The carbons enriched with O- and S-containing groups, introduced by controlled oxidation and sulfuration, respectively, were characterized by Raman spectroscopy, scanning electron microscopy, and X-ray photoelectron spectrometry, and their surface textural properties were measured by a volumetric analyzer. We observed that the presence of sulfur tends to modify the structure of the carbons, from microporous to mesoporous, while the use of copolymers with a range of molar composition PAN/PMMA between 10/90 and 47/53 allows the obtainment of carbons with different degrees of porosity. The amount of sacrificial block only affects the morphology of carbons stabilized in oxygen, inducing their nanostructuration, but has no effect on their chemical composition. We also demonstrated their suitability for separating a typical N2/CO2 post-combustion stream. [ABSTRACT FROM AUTHOR]

Constructing heterojunction nanocomposites is promising for overall water splitting. Herein, the metal-organic frameworks (MOFs) derived multiphasic transition metal sulfide nanoflowers heterostructure electrode (ZnCoNiS) was synthesized by the hydrothermal and sulfuration methods. The nanoflowers structure can provide a large electrochemical active surface area and the abundant heterogeneous interfaces are beneficial to increase the synergy between different components to improve the kinetic energy of the reaction. The obtained ZnCoNiS shows outstanding electrocatalytic performance with low overpotentials of 134 mV for the oxygen evolution reaction (OER) and 146 mV for hydrogen evolution reaction (HER) at 10 mA cm−2. Impressively, the ZnCoNiS catalyst exhibits remarkable overall water-splitting performances with a cell voltage of 1.52 V at 10 mA cm−2 and excellent stability in catalysis for over 100 h. This study demonstrates an approach for the design of rich heterogeneous junctions with high activity and stability, which can be used in the fields of solar energy to drive water splitting for hydrogen production. The ZnCoNiS nanoflowers with rich heterogeneous interfaces as efficient and stable catalyst for overall water splitting. [Display omitted] • The nanoflowers structure increases the electrochemical active surface area of the catalyst. • Rich heterointerfaces are conducive to electrocatalytic OER and HER. • ZnCoNiS nanoflowers exhibits excellent OER and HER activities with overpotentials of 134 and 146 mV at 10 mA cm−2. • ZnCoNiS nanoflowers achieves implement unassisted solar-driven water splitting. [ABSTRACT FROM AUTHOR]

Copyright of Journal of Guangxi Normal University - Natural Science Edition is the property of Gai Kan Bian Wei Hui 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.)

Thionation of 3,5‐dichloro‐4H‐1,2,6‐thiadiazin‐4‐one with P2S5 affords 3,5‐dichloro‐4H‐1,2,6‐thiadiazine‐4‐thione (17 %) and 4,5‐dichlorothieno[2,3‐c:5,4‐c′]bis([1,2,6]thiadiazine) (13 %) that forms via an isolable but highly reactive 1,2‐dithiine intermediate. An independent synthesis of the 4,5‐dichlorothieno[2,3‐c:5,4‐c′]bis([1,2,6]thiadiazine) was attempted via (2E,5E)‐2,5‐bis[(chlorothio)imino]‐2,5‐dihydrothiophene‐3,4‐dicarbonitrile, the chemistry of which was briefly investigated. Thiadiazine‐4‐thione reacts with diazoacetate and dimethylsulfonium dicyanomethylide to form the expected ylidenes, and undergoes a Diels‐Alder reaction with 2,3‐butadiene to give a spirocyclic 3,6‐dihydro‐2H‐thiopyran. Treating the thione with Ph3P (1 equiv) affords {3,4‐dicyano‐5‐[(triphenyl‐λ5‐phosphaneylidene)amino]thien‐2‐yl}carbonimidoyl dicyanide and 2‐[(3,5‐dichloro‐4H‐1,2,6‐thiadiazin‐4‐ylidene)amino]‐5‐[(triphenyl‐λ5‐phosphaneylidene)amino]thiophene‐3,4‐dicarbonitrile, the structure of which was supported by X‐ray crystallography. The reaction mechanism as well as independent syntheses of both products were investigated. [ABSTRACT FROM AUTHOR]

The article titled "Synthesis of 6-Alkylamino-2-alkylthio(alkoxy) Purine Derivatives: Antiplatelet Aggregation Activity Evaluation and 3D-QSAR Analysis" explores the relationship between the structure of purine derivatives and their ability to prevent platelet aggregation. The researchers synthesized 46 purine derivatives and tested their antiplatelet aggregation activity. They found that modifying the substituents on the purine ring could lead to more effective antiplatelet drugs. The study also includes a 3D-QSAR analysis to analyze the structural factors contributing to the activity. The findings provide valuable insights into the potential of these compounds as antiplatelet agents. [Extracted from the article]

Intelligent, controlled, slow-release antimicrobial materials have shown excellent application prospects in the medical field. Herein, silver particles (Ag) were synthesized using the hydrothermal method and a bacterial cellulose (BC) membrane as a template. The BC/Ag composite membrane was clad with copper alginate (CAlg) via the in-situ dip-coating method. Based on the Cu2+ ions in copper alginate, a layer of copper sulfide (CuS) was formed through a liquid-phase sulphuration reaction. This CuS layer leads the film to possess a photothermal and electrothermal response. Furthermore, we systematically investigated the microstructure, mechanical strength, and antibacterial properties of the composite film. The tensile strength of the BC/Ag/CAlg/CuS sample can reach 14.7 MPa, which should be attributed to the combination of the Cu2+ cross-linked CAlg and the inner BC/Ag composite film. Meanwhile, this assembled film exhibited hydrophilic and hygroscopic properties, as the antibacterial Ag particles can be continuously released and migrated from the inner layer to the outer layer. Finally, the BC/Ag/CAlg/CuS film inhibited Staphylococcus aureus and Escherichia coli by 99.9% and 99.6%, respectively, which should be attributed to the synergistic effect of silver ions and CuS's electrical and photothermal stimulation responses. These characteristics of the thermally responsive BC/Ag composite films indicate that they may successfully serve as wound dressings and other medical biomaterials. [ABSTRACT FROM AUTHOR]

To replace the current expensive precious metal catalysts for water electrolysis, it is important to develop inexpensive and powerful bifunctional catalysts for hydrogen production. It is an effective way to improve catalytic performance using excellent templates and elemental doping. Here, a hierarchical structure Fe-Co3S4/MoS2 was synthesized using an Fe–ZIF precursor prepared by ion exchange, followed by hydrothermal sulfuration and annealing. It required overpotentials of only 93 mV and 243 mV to achieve a current density of 10 mA cm−2 in the HER and OER, respectively. It also showed excellent catalytic performance for overall water splitting, requiring only 1.42 and 1.71 V to achieve current densities of 10 and 100 mA cm−2 in 1 M KOH. The catalyst also demonstrated excellent ultra-long-term stability. The superb catalytic performance and stability can be attributed to the Fe doping, exposing more active sites while retaining the highly stable framework of the ZIF. The component modulation of Co3S4 and MoS2 by Fe doping induced high intrinsic activity and excellent transfer coefficients. This work presents a novel approach to prepare noble metal-free catalysts with highly stable rich interfaces and defects for overall water splitting. [ABSTRACT FROM AUTHOR]

The establishment of facile synthetic routes to engineer covalent organic frameworks (COFs) with fully conjugated structure and excellent stability is highly desired for practical applications in optoelectronics and photocatalysis. Herein, a novel linkage conversion strategy is reported to prepare crystalline thiadiazole‐linked COFs via thionation, cyclization, and oxidation of N‐acylhydrazole bonds with Lawesson's reagent (LR). The as‐prepared thiadiazole‐linked COFs not only remain porosity and crystallinity, but enhance its chemical stability. Furthermore, thiadiazole‐linked COFs are more favorable to lower exciton binding energy and promote π‐electron delocalization over the whole reticular framework than N‐acylhydrazone‐linked COFs. Notably, the extended π‐conjugation structure and decent crystallinity of the resulting TDA‐COF are reflected by its higher photocatalytic H2 evolution rate (61.3 mmol g−1 in 5 h) in comparison with that (7.5 mmol g−1) of NAH‐COF. [ABSTRACT FROM AUTHOR]

Constructing heterojunctions and hollow multi‐shelled structures can render materials with fascinating physicochemical properties, and have been regarded as two promising strategies to overcome the severe shuttling and sluggish kinetics of polysulfide in lithium–sulfur (Li–S) batteries. However, a single strategy can only take limited effect. Modulating catalytic hosts with synergistic effects are urgently desired. Herein, Mn3O4‐MnS heterogeneous multi‐shelled hollow spheres are meticulously designed by controlled sulfuration of Mn2O3 hollow spheres, and then applied as advanced encapsulation hosts for Li–S batteries. Benefiting from the separated spatial confinement by hollow multi‐shelled structure, ample exposed active sites and built‐in electric field by heterogeneous interface, and synergistic effects between Mn3O4 (strong adsorption) and MnS (fast conversion) components, the assembled battery achieves prominent rate capability and decent cyclability (0.016% decay per cycle at 2 C, 1000 cycles). More crucially, satisfactory areal capacity reaches up to 7.1 mAh cm−2 even with high sulfur loading (8.0 mg cm−2) and lean electrolyte (E/S = 4.0 μL mg−1) conditions. This work will provide inspiration for the rational design of hollow multi‐shelled heterostructure for various electrocatalysis applications. [ABSTRACT FROM AUTHOR]

In this work, an innovative process involving directional sulfurization–vacuum distillation is proposed to effectively remove trace levels of mercury impurities from crude selenium. First, a reaction between sulfur and mercury is used to break the strong chemical Se-Hg bond to achieve the sulfide mineralization of mercury. Second, selenium and mercury are separated by vacuum distillation based on a difference in volatility. Thermodynamic analysis confirms the feasibility of this method. The experimental results show that the sulfidation reaction potential energy of different sulfidizing agents is in the order S > Na2S > FeS, and the optimum conditions are determined to be the following: a sulfidation temperature of 473 K and time of 30 min, and vacuum distillation experimental parameters of 503 K, 60 min, and 10–20 Pa system pressure. The overall experimental results show that the maximum removal of mercury is 97.49%. The content of mercury in the refined selenium was reduced from 0.32% to 0.0088% in the volatile matter. The results have practical value for the separation of selenium and mercury from hazardous wastes. [ABSTRACT FROM AUTHOR]

Electrocatalytic water splitting is one of the green and sustainable hydrogen energy methods. However, the hydrogen evolution reaction (HER) suffers from slow kinetics due to the high energy barrier of the H–O bond in a water molecule. The key to boosting HER is to add efficient electrocatalysts. In this paper, by a facile one-pot sulphuration method, the Waugh-type polyoxometalate ((NH4)6[MnMo9O32]) is firstly used as raw materials, and uniform bimetallic sulfides are in situ coupled on high conductivity nickel foam (NF) substrates to form a series of MnS-MoS2-NF electrocatalysts. As a result, the catalysts possess ultrahigh catalytic activity for hydrogen evolution reaction in alkaline electrolyte, showing a low overpotential of 56 mV at a current density of 10 mA cm−2, which is close to that 35 mV dec−1 of the 20% Pt/C electrode. Also, Meanwhile, 24 h I–T test and scanning electron microscopy observation were carried out before and after the experiment, which proved that the material has long-term stability. This work provides a feasible strategy for the rational design and preparation of highly efficient HER electrocatalysts. A bimetallic electrocatalyst were synthesized via coupling of MnS-MoS2 on nickel foam, which shows ultrahigh electrocatalytic-activity for hydrogen evolution reaction. [ABSTRACT FROM AUTHOR]

It is indeed critical to develop efficient and low-cost catalysts for water splitting to meet the growing energy demand. The resultant N-NiS bifunctional water electrolysis catalyst was in situ produced on nickel foam by a straightforward hydrothermal encapsulation sulphuration process, and it demonstrated good electrocatalytic activity. A polyaniline (PANI) coating was used as a nitrogen donor. The use of thermally degraded PANI as a nitrogen source to dope nickel sulfide is a productive and environmentally responsible substitute for the use of conventional hazardous NH3. The resulting change in the electronic structure of NiS due to nitrogen doping has improved its electrocatalytic performance, as evidenced by the alkaline electrolyzer made up of two pieces of the N-NiS electrode having a low cell voltage of just 1.57 V at 10 mA cm−2. This is noteworthy as it surpasses the performance of Pt/C and RuO2 electrode pairs currently available on the market. DFT calculations are conducted to understand the mechanism underlying the improved electrocatalytic performance and support the idea that the doping of N atoms changes the electronic structure of NiS and leads to the increase of vacancies around the Ni site, thereby facilitating the adsorption of intermediate products. [ABSTRACT FROM AUTHOR]

The Co-based heterojunction is regarded as an efficient material for the oxygen evolution reaction (OER), but the synthesis is still time- and labor-consuming, and environmentally unfriendly. Herein, we propose a green and facile L -lysine-induced strategy for the successful synthesis of porous CoS/Co3O4 nanoframes (NFs). L -Lysine played a pivotal role in facilitating the formation of the stable Co(OH)2 nanosheet precursor, which was subsequently in situ converted into CoS/Co3O4 NFs through the sulfuration treatment. The resulting CoS/Co3O4 NFs showed a low overpotential of 304 mV at 10 mA cm−2 and remarkable long-range durability in 1.0 M KOH for the OER. The rechargeable Zn–air battery exhibited high charge–discharge cycling stability (>120 h) with CoS/Co3O4 NFs + Pt/C as an air cathode. Density functional theory calculations demonstrated that the charge density of the CoS/Co3O4 heterostructure can be redistributed by rebalancing the Fermi level after the contact between CoS and Co3O4, potentially modulating the pristine catalytic properties of single components. This work provides a facile and green synthesis strategy for developing efficient Co-based catalysts in sustainable energy conversion devices. [ABSTRACT FROM AUTHOR]

Constructing efficient bifunctional electrocatalysts for both cathode and anode is of great importance for obtaining green hydrogen by water splitting. Herein, sulfuration of hierarchical Mn-doped NiCo LDH heterostructures (Mn–NiCoS 2 /NF) is constructed as a bifunctional electrocatalyst for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) via a facile hydrothermal-annealing strategy. Mn–NiCoS 2 /NF shows an overpotential of 310 mV at 50 mA cm−2 for OER and 100 mV at 10 mA cm−2 for HER in 1.0 M KOH. Moreover, only 1.496 V@10 mA cm−2 is required for overall water splitting by using Mn–NiCoS 2 /NF as catalyst dual electrodes in a two-electrode system. The excellent performance of Mn–NiCoS 2 /NF should be attributed to the ameliorative energy barriers of adsorption/desorption for HO−/H 2 O through the modification of electronic structure of NiCo basal plane by Mn-doping and the acceleration of water dissociation steps via rich delocalized electron inside sulfur vacancies. The construction of hierarchical Mn–NiCoS 2 /NF heterostructures provides new prospects and visions into developing efficient-advanced electrocatalysts for overall water splitting. • Hierarchical Mn–NiCoS 2 /NF is synthesized by a facile hydrothermal-annealing method. • Mn–NiCoS 2 /NF exhibited excellent catalytic performance for overall water splitting. • The enhanced performance of Mn–NiCoS 2 /NF is derived from Mn-doping and S vacancies. [ABSTRACT FROM AUTHOR]

One of the most attractive means for mitigation of environmental pollution is to produce hydrogen by electrocatalytic urea splitting. In the paper, the heterogeneous interfacial rich N–CuCo 2 S 4 @Ni 3 S 2 material was in situ synthesized on nickel foam through a typical hydrothermal and sulfuration process. This N–CuCo 2 S 4 @Ni 3 S 2 electrode displays excellent urea oxidation performance (potential of 1.38 V@50 mA cm−2), which is one of the best reactivity reported so far. Experimental results show that the superior catalytic activity is attributed to the rapid charge transfer, more reaction center exposed and superior electrical conductivity. Density functional theory shows that this Ni 3 S 2 material accelerates the reaction rate in the catalytic process, the introduction of this N–CuCo 2 S 4 material improves the conductivity of the material, and the synergistic catalysis of the N–CuCo 2 S 4 and Ni 3 S 2 makes this N–CuCo 2 S 4 @Ni 3 S 2 material exhibit superior urea oxidation activity. Notably, long-term tests have shown a decrease in catalytic activity, which suggests that the surface of the sulfide is in situ generated to oxides or hydroxides, which are truly active species. This work provides a new idea for the development of efficient and stable urea oxidation catalysts for sulfides. [Display omitted] • N–CuCo 2 S 4 @Ni 3 S 2 materials were synthesized by hydrothermal process. • The N–CuCo 2 S 4 @Ni 3 S 2 material exhibits ultra-low potentials of 1.38 V for UOR at 50 mA/cm2. • Density functional theory shows that this Ni 3 S 2 material accelerates the reaction rate. [ABSTRACT FROM AUTHOR]

Transition metal‐catalyzed C−S cross‐coupling has emerged as an important strategy to furnish thioethers; however, the dominant utilization of noble metal catalysts as well as the construction of challenging C(sp3)−S bonds by transition metal‐catalysis remain highly problematic. Earth‐abundant manganese has gathered increasing interest as an attractive catalyst for new reaction development; nevertheless, C(sp3)−S cross‐coupling reaction by manganese catalysis has not been reported. Herein, we disclose a highly efficient manganese‐catalyzed redox‐neutral thiolation of a broad range of alkyl halides with thioformates as practical sulfuration agents. Strategically, employing easily synthesized thioformates as thiyl radical precursors allows access to various aryl and alkyl thioethers in good to excellent yields. Notably, this redox‐neutral method avoids the utilization of strong bases, external ligands, forcing reaction conditions, and stoichiometric manganese, thus presenting apparent advantages, such as broad substrate scope, excellent functional group compatibility, and mild reaction conditions. Finally, the utilities of this method are also illustrated by downstream transformations and late‐stage thiolation of structurally complex natural products and pharmaceuticals. [ABSTRACT FROM AUTHOR]

In view of recent advances in photodegradation of antibiotics, low cost and stable photocatalyst remain rare. In this article, shape-controlled Cu2O@CuS nanocubes with the larger specific surface area were successfully prepared via a simple template-engaged strategy. Cu2O nanocubes were synthesized through a reduction method as original templates, the core-shelled Cu2O@CuS nanocubes were formed by sulphuration with Na2S as sulphur source, and the Cu2O core can be incompletely removed by Na2S2O3 to generate the Cu2O@CuS nanoboxes. Herein, hierarchical nanoboxes with two-layered Cu2O@CuS were used as photocatalyst materials for photocatalytic degradation of tetracycline (TC). The obtained nanocubes manifested high specific surface area (39.65 m2 g−1) and large pore volume (12.3 cm3 g−1). The degradation performance for TC was investigated in detail, including the effect of parameters such as photocatalyst, pH and catalyst dosage. The results indicated that degradation efficiencies were higher than 90% under visible light. Moreover, the degradation efficiency was 71% after six times. [ABSTRACT FROM AUTHOR]

A direct strategy for the preparation of fused thienoindoles from substituted indoles and elemental sulfur has been reported. The present approach produces a range of structurally valuable fused thienoindoles in 51–78% yield under transition‐metal‐free conditions, which may have potential applications in pharmaceutical industry and organic functional materials. In this work, the double C−S bonds formation is achieved via base promoted direct sulfuration of C−H bonds with elemental sulfur. [ABSTRACT FROM AUTHOR]

As sulfur is part of many essential protein cofactors such as iron–sulfur clusters, molybdenum cofactors, or lipoic acid, its mobilization from cysteine represents a fundamental process. The abstraction of the sulfur atom from cysteine is catalysed by highly conserved pyridoxal 5ʹ-phosphate-dependent enzymes called cysteine desulfurases. The desulfuration of cysteine leads to the formation of a persulfide group on a conserved catalytic cysteine and the concomitant release of alanine. Sulfur is then transferred from cysteine desulfurases to different targets. Numerous studies have focused on cysteine desulfurases as sulfur-extracting enzymes for iron–sulfur cluster synthesis in mitochondria and chloroplasts but also for molybdenum cofactor sulfuration in the cytosol. Despite this, knowledge about the involvement of cysteine desulfurases in other pathways is quite rudimentary, particularly in photosynthetic organisms. In this review, we summarize current understanding of the different groups of cysteine desulfurases and their characteristics in terms of primary sequence, protein domain architecture, and subcellular localization. In addition, we review the roles of cysteine desulfurases in different fundamental pathways and highlight the gaps in our knowledge to encourage future work on unresolved issues especially in photosynthetic organisms. [ABSTRACT FROM AUTHOR]

The nitrogen-sulfur co-doped FeS/C nanofibers (N, S-FeS/C) have been prepared by electrospinning followed by carbonization and sulfuration at high temperature. At the same time, the effect of sulfuration temperature on the lithium and potassium storage properties of N, S-FeS/C are investigated. The N, S co-doped carbon layer can suppress the agglomeration and volume expansion of FeS particles during the charge–discharge process, coupled with good electronic conductivity of carbon matrix and good crystallinity of FeS particles at optimized sulfuration temperature. And the N, S-FeS/C obtained by sulfuration at 600 °C exhibits outstanding electrochemical performance in lithium-ion batteries (LIBs) and potassium-ion batteries (PIBs), which shows high reversible capacities of 653 mAh g−1 at 1000 mA g−1 after 250 cycles in LIBs and 270 mAh g−1 after 190 cycles at 20 mA g−1 in PIBs. The N, S-FeS/C are promising anode materials for both LIBs and PIBs that could be demonstrated. [ABSTRACT FROM AUTHOR]

A green and sustainable chemistry approach for organic synthesis is described here, which involves microwave exposure of reactants in the presence of water. A general, practical, and highly efficient protocol for the preparation of a broad range of functionalized isothiocyanates has been developed from their corresponding isocyanides using Lawesson's reagent and catalytic amount of amine bases, particularly triethylamine under microwave irradiation conditions. As opposed to established approaches that employ toxic or volatile electrophilic liquids (thiophosgene, its derivatives, or CS2). In addition, these compounds were synthesized also by conventional heating procedures for comparison. Comparison between conventional and microwave-assisted synthesis was carried out by comparing total reaction time and percentage yield. The results suggest that microwave-assisted syntheses lead to higher yields within very short reaction times. From isocyanides to isothiocyanates using Lawesson's reagent in the presence of triethylamine under conventional and microwave heating conditions. [ABSTRACT FROM AUTHOR]

Purpose: Diphenylarsinic acid (DPAA) tends to mobilize in flooded soil due to iron (Fe) reduction and further thionate under sulfate-reducing conditions. Fe and sulfate reduction are natural processes in paddy soil, but their coupled effects on the behavior of DPAA remain unclear. This study investigated the coupled impacts of Fe and sulfate reduction on the mobilization, thionation, and sequestration of DPAA in a paddy soil. Methods: Four treatments were prepared in the soil incubation experiment: (1) treatment S−C− was created without the addition of S or C sources; (2) treatment S+C- was only amended with 426 μg S g−1; (3) treatment S+C+ was amended with 426 μg S g−1 and 1300 μg C g−1; and (4) treatment S+C++ was amended with 426 μg S g−1 and 2170 μg C g−1. Results: DPAA was significantly mobilized in treatments S−C− and S+C− due to Fe reduction. Treatments S−C− and S+C− exhibited a more rapid and final enhanced DPAA transformation than did treatments S+C+ and S+C++, with the final transformation rate reaching > 80% and < 15%, respectively, for the former and the latter two treatments, and the major products of this transformation being diphenylthioarsinic acid (DPTAA) and phenylarsonic acid (PAA). It appears that DPAA thionation was favored when sulfide was supplied at a low concentration but consistently, under conditions where no additional C source was added. However, when both Fe and sulfate reduction occurred prominently and simultaneously, Fe(II) produced consumed a significant amount of sulfide to form FeS, which subsequently reduced DPAA thionation under conditions where an additional C source was added. The produced DPTAA (> 95%) was mainly associated with the soil solid phase, and sulfate reduction appears to promote DPAA sequestration on the one hand by enhancing DPAA thionation and hence its sequestration, and on the other hand by producing FeS that sorbs DPAA. Conclusion: Our results demonstrate the coupled effects of Fe and sulfate reduction on the mobilization, thionation, and sequestration of DPAA, and that sulfate addition may be a promising strategy to reduce DPAA contamination in Fe-rich paddy soil. [ABSTRACT FROM AUTHOR]

Compounds possessing a thioamide function play a crucial role in organic synthesis, serving as key building blocks. They are also important in the pharmaceutical chemistry and drug design, owing to their ability to mimic the amide function in biomolecules while retaining or developing biological activity. From the synthetic viewpoint, several methods have been developed for preparing thioamides using sulfuration agents. The purpose of this review is to give an update of the last decade of contributions focusing on the formation of thioamides employing different sulfur sources. When appropriate, the cleanness and practicality of the new methods are highlighted. [ABSTRACT FROM AUTHOR]

Transition metal dichalcogenides (TMDCs) films are potential two‐dimensional materials for next‐generation optoelectronic and electronic devices. Chemical Vapor Deposition, Atomic Layer Deposition, and Metal‐Organic Chemical Vapor Deposition are usually used for the synthesis of the MoS2 films by taking Mo(CO)6 as precursors. However, the mechanism of adsorption and reaction of Mo(CO)6 on the substrate at the molecular level are hardly to know only by the experiments. In this study, the detailed reactions of Mo(CO)6 on α‐Al2O3(0001) are investigated by density functional theory to demonstrate the growth mechanism of MoS2. It is found that, Mo(CO)6 could form a stable chemical bond with the Al‐1 site on the surface, which has large adsorption energy and charge transfer. The decomposition of Mo(CO)6 into Mo(CO)3 exists in a clear order, with the top carbonyl composing firstly, follow by the two parallel carbonyls. In order to determine the stable model of Mo(CO)3, adsorption energy and DOS are analyzed. The Ead is −5.65 eV and the 4d5 s orbitals of Mo atom overlap with the 2 s2p orbitals of O atom, indicating the new chemical bond is forming in 3O‐Al‐2 model. Finally, the LST/QST (Linear Synchronous Transit/Quadratic Synchronous Transit) method is used to search for transition states of Mo(CO)3 sulfuration reactions with CH3S2CH3, H2S, and S2 respectively. This paper provides a theoretical basis for the experimental preparation of MoS2 and provides research ideas for the general synthesis of TMDCs. [ABSTRACT FROM AUTHOR]

Herein, we studied the formation of thiones via C=O group conversion into the C=S functional group-based tricyclic pyrimidinone systems using Lawesson's reagent and phosphorus pentasulfide as thionation agents. Naturally occurring alkaloids deoxyvasicinone and mackinazolinone were selected as templates for the modification of furo[2,3-d]pyrimidinone and pyrrolo[2,3-d]pyrimidinone scaffold. Research work was performed under the combinatorial and parallel synthesis of pyrimidine-based small molecules, along with a one-pot reaction strategy. All synthesized 54 novel pyrimidine-thiones were elucidated by 1H-NMR, 13C-NMR, and HRMS analysis. In addition, both series of thiones were evaluated for their antitumor activity against three types of the human cancer cell: cervical HeLa, breast MCF-7, and colon HT-29 lines. Compound with azepine fragment 13aa (1-methyl-2-(4-(trifluoromethyl)phenyl)-1,6,7,8,9,10-hexahydro-4H-pyrrolo[2',3':4,5]pyrimido[1,2-a]azepine-4-thione) was most active derivative (IC50 = 2.09 ± 0.22 µM) against the HT-29 cell line. [ABSTRACT FROM AUTHOR]

In this work, a Ru doped CoS1.097 catalyst was synthesized by ion-exchange and one-step hydrothermal sulfuration methods. The incorporation of Ru weakens the adsorption of reaction intermediates on S sites, resulting in the improved HER electrocatalytic performance of CoS1.097 in alkaline solution. [ABSTRACT FROM AUTHOR]

Sulfuration is an efficient route for fabricating metal sulfides photovoltaic devices with high‐quality absorber layer, reduced S vacancy, and high device performance. However, traditional sulfuration processes reported thus far generally suffer from low activity, inert atmosphere, high operating temperature, and ineffective defect passivation, all of which increase manufacturing dangerousness, complicacy, and cost. Simultaneously fulfilling the goals of high reactivity, mild fabrication condition, and efficient defect passivation remain a major challenge for sulfuration, which may be addressed, as demonstrated herein, with the development of a (NH4)2S‐induced hydrothermal sulfuration process in Sb2S3 solar cells. By optimizing the hydrothermal sulfuration process through the use of different amounts of (NH4)2S, an encouraging efficiency of 6.92% has been reached. In addition, the crystallinity of the Sb2S3 film can be obviously improved even under the mild heating conditions (i.e., 160 °C, 120 min). Furthermore, only one hole trap can be identified for the Sb2S3 device after hydrothermal sulfuration, and the trap density is significantly reduced. This innovative sulfuration system introduces a robust approach toward the goal of high‐efficiency metal sulfide solar cells compatible with simple hydrothermal process. [ABSTRACT FROM AUTHOR]

In this work, a layered double hydroxide support modified with cadmium was synthesized by a one-pot coprecipitation method. Then, it was sulfured in different percentages by a solvothermal method. Next, the samples were analyzed using various characterization techniques like XRD, DRS, FTIR, N2 physisorption, PL spectroscopy, TEM, and SEM. Finally, the synthesized and uncalcined materials were assessed in hydrogen production from water and a methanol-water solution under UV-light irradiation. The results showed that the sulphuration improves the photocatalytic activity, reaching a maximum rate constant of hydrogen production of 7403 µmol/g∙h in a methanol-water solution and 1326 µmol/g∙h in water. [ABSTRACT FROM AUTHOR]