Electrocatalytic carboxylation of halogenated compounds with mesoporous silver electrode materials.

Mesoporous silver materials are used as electrocatalysts for halogenated compounds. The mesoporous silver materials have uniform mesoporous size (8 nm), large specific surface area (12 m g), high pore volume (0.07 cm g), and a good 3D network structure of the metallic silver skeleton.

Me(CH[double bond, length as m-dash]CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis.

A bifunctional silyl reagent Me(CH[double bond, length as m-dash]CH)SiCN has been developed as a novel ethylene equivalent for the Diels-Alder (DA) reaction. The use of this reagent enables the controllable synthesis of value-added cyclohexenyl ketones or 2-acyl cyclohexancarbonitrile derivatives through a five- or six-step tandem sequence based on a Wittig/cyanosilylation/DA reaction/-cyanosilylation/isomerization sequence that involves a temporary silicon-tethered intramolecular DA reaction.

Tuning luminescence of the fluorescent molecule 2-(2-hydroxyphenyl)-1-benzimidazole zeolitic imidazolate framework-8.

Zeolitic imidazolate framework-8 (ZIF-8) is one of the most promising metal-organic frameworks because of its excellent high porosity, stability and geometrically well-defined structure. However, the application of ZIF-8 in the field of fluorescent molecular sensing has not been intensively explored. Our work demonstrates the versatility of ZIF-8 as a carrier material, which can be used for small molecule [2-(2-hydroxyphenyl)-1-benzimidazole (HPBI)] capture and fluorescence enhancement.

Engineering the biomimetic cofactors of NMNH for cytochrome P450 BM3 based on binding conformation refinement.

Cytochrome P450 BM3 (BM3) is an important oxidoreductase that is widely used in drug synthesis, chemical synthesis, and other industries. However, as BM3 unquestionably increases costs by consuming a natural cofactor that unstably provides electrons, an alternative biomimetic cofactor with simpler structures represented by nicotinamide mononucleotide (NMNH) has been utilized. Currently, few reports exist on artificially modified BM3 enzymes using NMNH, especially regarding theoretical simulation and calculation.

The study of surface species and structures of oxide-derived copper catalysts for electrochemical CO reduction.

Oxide-derived copper (OD-Cu) has been discovered to be an effective catalyst for the electroreduction of CO to C2+ products. The structure of OD-Cu and its surface species during the reaction process are interesting topics, which have not yet been clearly discussed. Herein, surface-enhanced Raman spectroscopy (SERS), operando X-ray absorption spectroscopy (XAS), and O isotope labeling experiments were employed to investigate the surface species and structures of OD-Cu catalysts during CO electroreduction.

Highly effective and chemoselective hydrodeoxygenation of aromatic alcohols.

Effective hydrodeoxygenation (HDO) of aromatic alcohols is very attractive in both conventional organic synthesis and upgrading of biomass-derived molecules, but the selectivity of this reaction is usually low because of the competitive hydrogenation of the unsaturated aromatic ring and the hydroxyl group. The high activity of noble metal-based catalysts often leads to undesired side reactions (, saturation of the aromatic ring) and excessive hydrogen consumption. Non-noble metal-based catalysts suffer from unsatisfied activity and selectivity and often require harsh reaction conditions.

Quasi-square-shaped cadmium hydroxide nanocatalysts for electrochemical CO reduction with high efficiency.

Powered by a renewable electricity source, electrochemical CO reduction reaction is a promising solution to facilitate the carbon balance. However, it is still a challenge to achieve a desired product with commercial current density and high efficiency. Herein we designed quasi-square-shaped cadmium hydroxide nanocatalysts for CO electroreduction to CO.

Highly ordered macroporous dual-element-doped carbon from metal-organic frameworks for catalyzing oxygen reduction.

Multiple heteroatom-doped carbons with 3D ordered macro/meso-microporous structures have not been realized by simple carbonization of metal-organic frameworks (MOFs). Herein, ordered macroporous phosphorus- and nitrogen-doped carbon (M-PNC) is prepared successfully by carbonization of double-solvent-induced MOF/polystyrene sphere (PS) precursors accompanied with spontaneous removal of the PS template, followed by post-doping. M-PNC shows a high specific surface area of 837 m g, nitrogen doping of 3.

Multifunctional peptide-assembled micelles for simultaneously reducing amyloid-β and reactive oxygen species.

The excessive production and deposition of amyloid-β (Aβ) is one of the most important etiologies of Alzheimer's disease (AD). The interaction between Aβ and metal ions produces aberrant reactive oxygen species (ROS), which induce oxidative stress and accelerate the progression of AD. To reduce Aβ plaques and ROS to maintain their homeostasis is an emerging and ingenious strategy for effective treatment of AD.

Efficient electroreduction of CO to C products on CeO modified CuO.

Electrocatalytic reduction of CO into multicarbon (C) products powered by renewable electricity offers one promising method for CO utilization and promotes the storage of renewable energy under an ambient environment. However, there is still a dilemma in the manufacture of valuable C products between balancing selectivity and activity. In this work, cerium oxides were combined with CuO (CeO/CuO) and showed an outstanding catalytic performance for C products.

1-Phenyl--(benzothiazol-2-yl)methanimine derivatives as Middle East respiratory syndrome coronavirus inhibitors.

Middle East respiratory syndrome coronavirus (MERS-CoV) poses a serious threat to human health, and currently there are no effective or specific therapies available to treat it. Herein a series of 1-phenyl--(benzothiazol-2-yl)methanimine derivatives with inhibitory activity against MERS-CoV are described. The compound 4f with a 50% inhibition concentration value of 0.

Alcohol amine-catalyzed CO conversion for the synthesis of quinazoline-2,4-(1,3)-dione in water.

The conversion of CO to high value-added chemicals in water using environment-friendly and cost-effective catalysts is a very significant topic. In this work, a green method for the conversion of CO catalyzed by alcohol amines has been developed. Alcohol amines showed considerable activating ability to CO in the cyclization with 2-aminobenzonitrile to quinazoline-2,4(1,3)-dione in water.

Liquid photonic crystal detection reagent for reliable sensing of Cu in water.

A traditional hydrogel photonic crystal sensor is prepared by multiple steps, including colloidal assembly, polymerization, and recognition group modification, and its measurement repeatability is a challenge due to the inevitable deviations in sensor fabrication and application. In this work, a salicylic acid-containing "SiO/propylene carbonate" liquid photonic crystal (Sal-LPC), as a new photonic sensing material, was developed to demonstrate reliable measurement of Cu in water. When the Sal-LPC reagent was mixed with the test sample, the Cu promoted the release of H from Sal and shrank the photonic crystal lattice, so that the Cu concentration could be determined by the reflection blueshift of liquid PC.

High-Performance Nondoped Blue Delayed Fluorescence Organic Light-Emitting Diodes Featuring Low Driving Voltage and High Brightness.

Thermally activated delayed fluorescence (TADF) provides great potential for the realization of efficient and stable organic light-emitting diodes (OLEDs). However, it is still challenging for blue TADF emitters to simultaneously achieve high efficiency, high brightness, and low Commission Internationale de l'Eclairage (CIE) coordinate (CIE) value. Here, the design and synthesis of two new benzonitrile-based TADF emitters (namely 2,6-di(9-carbazol-9-yl)-3,5-bis(3,6-diphenyl-9-carbazol-9-yl)benzonitrile (2PhCz2CzBn) and 2,6-di(9-carbazol-9-yl)-3,5-bis(3,6-di--butyl-9-carbazol-9-yl)benzonitrile (2tCz2CzBn)) with a symmetrical and rigid heterodonor configuration are reported.

Interfacial Energy Level Tuning for Efficient and Thermostable CsPbIBr Perovskite Solar Cells.

Inorganic mixed-halide CsPbX-based perovskite solar cells (PeSCs) are emerging as one of the most promising types of PeSCs on account of their thermostability compared to organic-inorganic hybrid counterparts. However, dissatisfactory device performance and high processing temperature impede their development for viable applications. Herein, a facile route is presented for tuning the energy levels and electrical properties of sol-gel-derived ZnO electron transport material (ETM) via the doping of a classical alkali metal carbonate CsCO.

Ab initio-enabled phase transition prediction of solid carbon dioxide at ultra-high temperatures.

Carbon dioxide is one of the fundamental chemical species on Earth, but its solid-phase behavior at high pressures is still far from well understood and some phases remain uncertain or unknown, which increases the challenge to predict its structures. The difficulty of theoretical prediction arises from the high cost of structure screening and the low accuracy of applicable methods. In this study, we employed an computational study on solid carbon dioxide phases I and VII at high pressure and predicted their structures, energies and phase transition using the second-order Møller-Plesset perturbation (MP2) theory.

Selective catalytic transformation of lignin with guaiacol as the only liquid product.

Guaiacol is an important feedstock for producing various high-value chemicals. However, the current production route of guaiacol relies heavily on fossil resources. Using lignin as a cheap and renewable feedstock to selectively produce guaiacol has great potential, but it is a challenge because of its heterogeneity and inert reactivity.

Negative CT Contrast Agents for the Diagnosis of Malignant Osteosarcoma.

The current positive computed tomography (CT) contrast agents (PCTCAs) including clinical iodides, present high CT density value (CT-DV). However, they are incapable for the accurate diagnosis of some diseases with high CT-DV, such as osteosarcoma. Because bones and PCTCAs around osteosarcoma generate similar X-ray attenuations.

Graphene-Coupled Terahertz Semiconductor Lasers for Enhanced Passive Frequency Comb Operation.

Optical frequency combs, consisting of well-controlled equidistant frequency lines, have been widely used in precision spectroscopy and metrology. Terahertz combs have been realized in quantum cascade lasers (QCLs) by employing either an active mode-locking or phase seeding technique, or a dispersion compensator mirror. However, it remains a challenge to achieve the passive comb formation in terahertz semiconductor lasers due to the insufficient nonlinearities of conventional saturable absorbers.

Synthesis and biological evaluation of 3-nitro-4-chromanone derivatives as potential antiproliferative agents for castration-resistant prostate cancer.

A series of novel 3-nitro-4-chromanones were synthesized and their cytotoxicity was evaluated on castration-resistant prostate cancer cell (CRPC) lines using the sulforhodamine B (SRB) assay. The amide derivatives showed more potent antitumor activity than their corresponding ester derivatives. Most of the tested compounds showed less toxicity towards human fibroblasts (HAF) compared with the tumor cell lines.

Silver encapsulated copper salen complex: efficient catalyst for electrocarboxylation of cinnamyl chloride with CO.

An active catalyst, [Cu]@Ag composite, was synthesized for the first time and used as a cathode for electrocarboxylation of cinnamyl chloride with CO. β,γ-Unsaturated carboxylic acids were obtained with excellent yield and moderate selectivity. Moreover, reasonable yields and selectivities of carboxylic acids were also achieved with several allylic halides and aryl halides.

SiBaoChongCao exhibited anti-fatigue activities and ameliorated cancer cachexia in mice.

SiBaoChongCao (SBCC) is a functional food product containing fermentation of belonging to the genus. SBCC at 1 and 2 g kg for 20 days exhibited anti-fatigue activities such as increasing exhaustive swimming and running time of mice and increasing the strength of muscle. The increased muscle endurance in SBCC-treated mice might be related to enhancement of muscle cell growth and differentiation and improvement of muscle response to exercise training, as shown by an increase in muscle cross-sectional area and elevation of MHC, MyoD, MyoG and PGC-1α levels.

Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interaction.

Programmed cell death protein-1 (PD-1) is an important immunological checkpoint and plays a vital role in maintaining the peripheral tolerance of the human body by interacting with its ligand PD-L1. The overexpression of PD-L1 in tumor cells induces local immune suppression and helps the tumor cells to evade the endogenous anti-tumor immunity. Developing monoclonal antibodies against the PD-1/PD-L1 protein-protein interaction to block the PD-1/PD-L1 signaling pathway has demonstrated superior anti-tumor efficacy in a variety of solid tumors and has made a profound impact on the field of cancer immunotherapy in recent years.

EPR steering of polar molecules in pendular states and their dynamics under intrinsic decoherence.

Einstein-Podolsky-Rosen (EPR) steering gives evidence for the phenomenon called "spooky action at a distance" in quantum mechanics, and provides a useful resource for the implementation of quantum information tasks. In this paper, we consider a pair of ultracold polar molecules trapped in an external electric field as a promising quantum information carrier, and analyze the evolution behavior of EPR steering for the two coupled polar molecules in pendular states. Our results show that the steering of the two linear dipoles is remarkably reliant upon the Stark effect and dipole-dipole interaction.