Computational electrocatalysis beyond conventional hydrogen electrode model: CO reduction to C species on copper facilitated by dynamically formed solvent halide ions at the solid-liquid interface.

The reduction of CO into value-added chemicals and fuels has been actively studied as a promising strategy for mitigating carbon dioxide emissions. However, the dilemma for the experimentalist in choosing an appropriate reaction medium and neglecting the effect of solvent ions when using a simple thermochemical model, normally leads to the disagreement between experimental observations and theoretical calculations. In this work, by considering the effects of both the anion and cation, a more realistic CO reduction environment at the solid-liquid interface between copper and solvent ions has been systematically studied by using molecular dynamics and density functional theory.

Discovery, synthesis, and cytotoxic evaluation of isoquinolinequinones produced by derived from lichen.

Four isoquinolinequinones (1-4) were isolated from the fermentation broth of which were derived from lichens. Among them, mansouramycin H (1) was identified as a new isoquinolinequinone by comprehensive spectroscopic data analysis. The mansouramycins from presented broad cytotoxic activities, especially against MDA-MB-231, but the SAR and mechanism were still unclear.

Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.

A class of prochiral allenylic di-electrophiles have been introduced for the first time as three-atom synthons in cycloadditions, and a new type of [4+3] cycloaddition involving transition metal-catalyzed enantioselective sequential allenylic substitution has been successfully developed, enabling challenging seven-membered exocyclic axially chiral allenes to be accessed in good yields with good enantioselectivity. Through the addition of a catalytic amount of -aminoanilines or -aminophenols, the racemization of the [4+3] cycloaddition products is effectively suppressed. Mechanistic studies reveal that elusive Pd-catalyzed enantioselective intramolecular allenylic substitution rather than intermolecular allenylic substitution is the enantio-determining step in this cycloaddition.

A silver metal-organic cage with antibacterial activity for wound healing.

Bacterial infection is one of the most threatening diseases in humans and can result in tissue necrosis, inflammation, and so on. Although a large number of antibacterial materials have been developed, there are still some disadvantages in this field, including decreasing antibacterial activity in the aqueous solution or a short duration of time. Herein, a metal-organic cage named Ag-TBI-TPE with excellent antibacterial activity was prepared and applied in wound healing.

Two-dimensional β-noble-transition-metal chalcogenide: novel highly stable semiconductors with manifold outstanding optoelectronic properties and strong in-plane anisotropy.

In this work, five two-dimensional (2D) noble-transition-metal chalcogenide (NTMC) semiconductors, namely β-NX (N = Au, Ag; X = S, Se, Te), were designed and predicted by first-principles simulations. Structurally, the monolayer β-NX materials have good energetic, mechanical, dynamical, and thermal stability. They contain two inequivalent noble-transition-metal atoms in the unit cell, and the N-X bond comprises a partial ionic bond and a partial covalent bond.

Efficient fluorescence-enhanced probe for cyanide ions based on a tetraphenylethene pyridine coordinated copper-iodide complex.

An efficient fluorescence-enhanced probe was developed for detecting cyanide ions (CN) based on a tetraphenylethene coordinated copper-iodide complex (named CIT-Z). The coordination polymers (CPs) prepared were ()-1,2-diphenyl-1,2-bis[4-(pyridin-3-ylmethoxy)phenyl]ethene () and a CuI cluster, where the tetraphenylethylene (TPE) pyridine derivatives acted as organic ligands and the CuI cluster acted as a metal center. The higher-dimensional CIT-Z exhibited a 3-fold-interpenetrating network structure with excellent optical properties and chemical stability.

Constructing spike-like energy band alignment at the heterointerface in highly efficient perovskite solar cells.

The interface between the absorber and transport layers is shown to be critical for highly efficient perovskite solar cells (PSCs). The undesirable physical and chemical properties of interfacial layers often cause unfavorable band alignment and interfacial states that lead to high charge-carrier recombination and eventually result in lower device performance. Herein, we demonstrate a simple and effective strategy to improve the performance of PSCs by constructing a conduction band offset (CBO) with a small spike, through the inductive effect induced by an organic small molecule.

Altereporenes A-E, five epoxy octa-hydronaphthalene polyketides produced by an endophytic fungus sp. YUD20002.

Five previously undescribed epoxy octa-hydronaphthalene polyketides, altereporenes A-E (1-5) were isolated from rice culture of the endophytic fungus sp. YUD20002 derived from the tubers of . Their structures were determined on the basis of comprehensive spectroscopic analyses, while the absolute configurations were elucidated by the comparison of experimental and calculated specific rotations.

Oxazolomycins produced by and their cytotoxic activity.

Six oxazolomycins (1-6) were isolated from the fermentation broth of a soil-borne bacterial strain, . The structures of the new compounds, oxazolomycins D-F (1-3) and glaucumycins A, B (6a/6b), were elucidated by detailed spectroscopic data analysis. Oxazolomycins 1, 2, 4, and 5 demonstrated weak or modest cytotoxic activities against four human cancer cell lines, with IC values ranging from 10.

The molecular imprinting of magnetic nanoparticles with boric acid affinity for the selective recognition and isolation of glycoproteins.

A strategy was designed for the molecular imprinting of magnetic nanoparticles with boric acid affinity (MNPs@MIP) which were then used for the selective recognition and isolation of glycoproteins. FeO nanoparticles were prepared by a solvothermal method and direct silanization by the condensation polymerization of aminopropyltriethoxysilane (APTES). Subsequently, phenylboric acid was functionalized by reductive amination between 2,3-difluoro-4-formyl phenylboric acid (DFFPBA) and the amido group.

NiFeN functionalized carbon nanofibers boosting polysulfide conversion for Li-S chemistry.

Limiting the shuttle effect of polysulfides is an important means to realizing high energy density lithium-sulfur batteries (Li-S). In this study, an efficient electrocatalyst (CNFs@NiFeN) is synthesized by anchoring NiFeN in the carbon nanofibers (CNFs). The CNFs@NiFeN shows electrocatalytic activity and enhances the conversion of polysulfides.

Correction: A photoexcited halogen-bonded EDA complex of the thiophenolate anion with iodobenzene for C(sp)-H activation and thiolation.

[This corrects the article DOI: 10.1039/D1SC03667J.].

A photoexcited halogen-bonded EDA complex of the thiophenolate anion with iodobenzene for C(sp)-H activation and thiolation.

Thiophenol was discovered to form an EDA complex with iodobenzene through halogen bonding interactions upon treatment with KOH. A direct photochemical thiolation of C(sp)-H bond-containing etheric, allylic, and benzylic substrates with thiophenol was developed. The reaction proceeded on the basis of the generation of a thiyl radical and aryl radical through single electron transfer between the photoexcited thiophenolate anion and aryl iodide EDA complex.

A mild one-pot synthesis of 2-iminothiazolines from thioureas and 1-bromo-1-nitroalkenes.

A mild method to access functionalized 2-iminothiazolines in a facile and efficient manner has been developed. The reaction started from 1,3-disubstituted thioureas and 1-bromo-1-nitroalkenes in the presence of triethylamine in THF and proceeded smoothly in air to afford 2-iminothiazoline derivatives in moderate to good yields.

A biocompatible PAA-Cu-MOP hydrogel for wound healing.

Wounds infected by bacteria are dangerous for human beings. However, along with the emergence of new strains and strong bacterial resistance, traditional antibiotics are unable to meet the medical needs for treating bacterial infections. Thus, new antibacterial substances with superior antimicrobial properties are urgently needed.

A systematic review on the chemical constituents of the genus (Ranunculaceae) and their biological activities.

For centuries, species of the genus (Ranunculaceae) have been extensively utilized for their extremely high ornamental and medicinal values. Phytochemical investigations of species have revealed the presence of multiple active ingredients, including diterpenoid alkaloids, flavonoids, phenolic acids, phytosterols, fatty acids, and volatile constituents. These chemical constituents are of great research significance due to their novel structures and broad biological activities.

Rapid synthesis of cesium lead halide perovskite nanocrystals by l-lysine assisted solid-phase reaction at room temperature.

Nowadays, there are many ways to obtain cesium lead halide perovskite nanocrystals. In addition to the synthesis methods carried out in solution, the solid-phase synthesis was reported involving grinding and milling. In this paper, we synthesized luminescent CsPbBr/CsPbBr perovskite nanocrystals (PNCs) by three solid-phase synthesis methods (grinding, knocking, stirring) using l-lysine as a ligand.

Highly efficient and selective membrane separation of copper from nickel in ammoniacal solution using mixtures of M5640 and BESO as membrane carriers.

Separation of copper from nickel in ammoniacal/ammonium chloride solution using a flat-sheet supported liquid membrane impregnated with mixtures of Acorga M5640 and bis(2-ethylhexyl)sulfoxide (BESO) was investigated. The crucial parameters influencing copper transport and separation abilities of copper and nickel, such as carrier concentration of M5640 and BESO in the membrane phase, initial concentration of ions in the feed phase, HSO concentration in the strip phase and membrane stability, were discussed. The results show that the mixtures of carriers (20 vol% M5640 + 20 vol% BESO) in the membrane have a considerable antagonistic effect on membrane transport of nickel, but favor copper transport.

Phomretones A-F, C polyketides from the co-cultivation of sp. YUD17001 and sp.

Six new C polyketides, phomretones A-F (1-6), were isolated from the co-culture of sp. and the endophytic fungus sp. YUD17001 associated with .

One-pot synthesis of CdS/metal-organic framework aerogel composites for efficient visible photocatalytic reduction of aqueous Cr(vi).

Metal-organic framework aerogels (MOAs) embedded with CdS (CdS/MOA(Cr)) synthesized a facile one-pot solvothermal method have a larger surface area than pristine MOA(Cr) and the post-synthesized composite. CdS/MOA(Cr) exhibited 5 times enhancement in the photocatalytic activity than that of pure CdS for Cr(vi) reduction under visible light without adding any sacrificial agent, due to the larger surface area and photosensitazation of MOA(Cr).

Non-alkaloidal constituents from the genus : a review.

Species of the genus are widely distributed in the north temperate region and have been used in traditional medicine since antiquity due to their biological activities. Phytochemical investigations of species have revealed the presence of multiple active ingredients, including flavonoids, phenylpropanoids, phenolics and acids, terpenoids, and polysaccharides in addition to their diterpenoid alkaloids. These non-alkaloidal constituents show great research significance for their novel structures, broad bioactivities, and chemotaxonomical significance.

The presence of a single-nucleotide mismatch in linker increases the fluorescence of guanine-enhanced DNA-templated Ag nanoclusters and their application for highly sensitive detection of cyanide.

Fluorescence of DNA-templated silver nanoclusters can be enhanced by more than 100-fold by placing the nanoclusters in proximity to guanine-rich DNA sequences after hybridization. We found that the fluorescence of the guanine-enhanced silver nanoclusters is not increased with the guanine-rich DNA sequence closer to the silver nanoclusters. By studying the different numbers of mismatches in the linker sequences, we found that the presence of a single-nucleotide mismatch in the linker increases fluorescence more than the complementary nucleotide.

Improved performances of lithium-ion batteries using intercalated a-Si-Ag thin film layers as electrodes.

The laminated construction of an a-Si-Ag thin film electrode is demonstrated, which allows stabilization of the cycling performance of a silicon thin film layer in a lithium-ion battery. A silver thin film plays a determining role in the lithium insertion/extraction process and is incorporated between amorphous Si thin film layers (a-Si/Ag/a-Si), which results in not only high and stable capability, but also the best rate performance compared to that of other electrodes. For the electrode of a-Si/Ag/a-Si, a critical thickness of the silver layer (30 nm) is found; in this case, it exhibits the highest capacity retention of 70% after 200 cycles at a current density of 65.