An active representation learning method for reaction yield prediction with small-scale data.

Reaction optimization plays an essential role in chemical research and industrial production. To explore a large reaction system, a practical issue is how to reduce the heavy experimental load for finding the high-yield conditions. In this paper, we present an efficient machine learning tool called "RS-Coreset", where the key idea is to take advantage of deep representation learning techniques to guide an interactive procedure for representing the full reaction space.

Enhancing photoluminescence of WSe in vapor grown WSe/VOCl bilayer heterojunctions via surface passivation.

Monolayer tungsten selenide (WSe) has attracted attention due to its direct bandgap-generated strong light emission and light-matter interaction. Herein, vertical WSe/VOCl bilayer heterojunctions with enhanced PL of WSe were synthesized by the vapor growth method. The morphology, crystal structure, and chemical composition of the WSe/VOCl heterojunctions were systematically investigated, which confirmed the successful formation of the heterojunctions.

Ligand-binding properties of XaffOBP9, a Minus-C odorant-binding protein from (Coleoptera: Curculionidae: Scolytinae).

one of the most important pests of rubber trees, has caused severe damage to the natural rubber industry in Hainan province. The ability to detect host plants through a sensitive and specific olfactory system is crucial for . Odorant binding proteins (OBPs) are believed to bind and carry hydrophobic active compounds from the environment to the surface of olfactory receptor neurons.

Defect Engineering of 2D Semiconductors for Dual Control of Emission and Carrier Polarity.

2D transition metal dichalcogenides (TMDCs) are considered as promising materials in post-Moore technology. However, the low photoluminescence quantum yields (PLQY) and single carrier polarity due to the inevitable defects during material preparation are great obstacles to their practical applications. Here, an extraordinary defect engineering strategy is reported based on first-principles calculations and realize it experimentally on WS monolayers by doping with IIIA atoms.

Low UPB1 Level Correlates With Poor Prognosis in Lung Adenocarcinoma.

Objectives: Lung adenocarcinoma (LUAD) is a critical cancer with high mortality, worse prognosis, and crucial lymphatic metastasis. Consequently, prognostic biomarkers for LUAD are truly required. β-Ureidopropionase (UPB1) is abnormally expressed in various cancers.

Interlayer Coupling in Anisotropic/Isotropic Van der Waals Heterostructures of ReS and WS.

Van der Waals (vdW) heterostructures are composed of atomically thin layers assembled through weak (vdW) force, which have opened a new era for integrating materials with distinct properties and specific applications. However, few studies have focused on whether and how anisotropic materials affect heterostructure system. The study introduces anisotropic and isotropic materials in a heterojunction system to change the in-plane symmetry, offering a new degree of freedom for modulating its properties.

MYH16 upregulation is associated with lung adenocarcinoma aggressiveness and immune infiltration.

Myosin heavy chain 16 (MYH16) may significantly affect cell cycle progression. Nevertheless, there is a lack of evidence about the clinical relevance of MYH16 upregulation in pan cancers, including lung adenocarcinoma (LUAD). MYH16 expression patterns were evaluated in various bioinformatics databases using The Cancer Genome Atlas data set.

Tunable Synthesis of Monofluoroalkenes and Gem-Difluoroalkenes via Solvent-Controlled Rhodium-Catalyzed Arylation of 1-Bromo-2,2-difluoroethylene.

Divergent synthesis of fluorine-containing scaffolds starting from a suite of raw materials is an intriguing topic. Herein, we report the solvent-controlled rhodium-catalyzed tunable arylation of 1-bromo-2,2-difluoroethylene. The selection of the reaction solvents provides switchable defluorinated or debrominated arylation from readily available feedstock resources (both arylboronic acids/esters and 1-bromo-2,2-difluoroethylene are commercially available).

Ryanodine receptor () mutational status correlates with tumor mutational burden, age and smoking status and stratifies non-small cell lung cancer patient prognosis.

Background: The ryanodine receptors () have been implicated in many muscular, cardiac and neurological diseases. However, there are almost no studies so far focusing on genetic alterations and its roles in cancer, especially in non-small cell lung cancer (NSCLC).

Methods: The whole-exome sequencing (WES) data, demographic and clinical data of 1,052 NSCLC patients was downloaded from The Cancer Genome Atlas (TCGA) database and analyzed using the corresponding packages of the R software.

Dehydroxylative Alkylation of α-Hydroxy Carboxylic Acid Derivatives via a Spin-Center Shift.

A strategically distinct dehydroxylative alkylation reaction of α-hydroxy carboxylic acid derivatives with alkenes is developed. The reaction starts with the attack of a 4-dimethylaminopyridine (DMAP)-boryl radical to the carbonyl oxygen atom, followed by a spin-center shift (SCS) to trigger the C-O bond scission. The resulting α-carbonyl radicals couple with a wide range of alkenes to furnish various alkylated products.

Copper-Catalyzed Regiodivergent and Enantioselective Hydrosilylation of Allenes.

A copper-catalyzed regiodivergent hydrosilylation of a wide range of simple allenes is reported. Linear and branched allylsilanes were formed by judicious choice of solvents. Furthermore, branched allylsilanes were obtained with high enantioselectivity (up to 97% enantiomeric excess) with the aid of a C2-symmetric bisphosphine ligand in the unprecedented asymmetric allene hydrosilylation.

Rhomboid domain containing 1 promotes the growth of non-small cell lung cancer through the activation of EGFR and regulation of the BIK-mediated apoptosis.

RHBDD1 overexpression is found in various malignancies, including non-small cell lung cancer (NSCLC), and it is correlated with NSCLC patients' poor overall survival. This study aims to explore the function of RHBDD1 in regulating the progression of NSCLC and its potential molecular basis. qPCR, immunohistochemistry, and/or western blotting were used to evaluate the expression of RHBDD1 in NSCLC tissues and cell lines.

Circular RNA SOX13 promotes malignant behavior and cisplatin resistance in non-small cell lung cancer through targeting microRNA-3194-3p/microtubule-associated protein RP/EB family member 1.

Circular RNA (circRNA) presents an essential regulatory role in affecting the occurrence and acquired resistance in non-small cell lung cancer (NSCLC), but how circSOX13 impacts NSCLC is unclear. In this work it was found that compared with adjacent normal tissues, circSOX13 and the microtubule-associated protein RP/EB family member 1 (MAPRE1) were signally up-regulated in NSCLC while miR-3194-3p was signally lowered. Pulmonary function tests (PETs) revealed that knocking down circSOX13 or overexpressing miR-3194-3p inhibited NSCLC proliferation, invasion and migration but promoted its apoptosis.

Epigallocatechin gallate and theaflavins independently alleviate cyclophosphamide-induced ovarian damage by inhibiting the overactivation of primordial follicles and follicular atresia.

Background: Cyclophosphamide (CTX), which has been used to treat common female cancers for several years, often causes ovarian damage, early menopause and infertility. However, strategies for the effective prevention and treatment of CTX-induced ovarian damage are still lacking. Epigallocatechin gallate (EGCG) and theaflavins (TFs), key molecules derived from green tea or black tea, have been shown to exert preventive effects on many ageing-related diseases.

Massive PD-L1 and CD8 double positive TILs characterize an immunosuppressive microenvironment with high mutational burden in lung cancer.

Background: Programmed cell death ligand 1 (PD-L1) expressed on tumor and immune cells are both associated with the response to programmed cell death 1 (PD-1) pathway blockade therapy. Here, we examine the role of CD8+PD-L1+ tumor-infiltrating lymphocyte (Tils) in the tumor microenvironment of non-small cell lung cancer (NSCLC).

Methods: Tumor tissue samples of a total of 378 patients from two NSCLC cohorts were collected retrospectively.

Characteristics of BRCA1/2 pathogenic germline mutations in chinese NSCLC patients and a comparison with HBOC.

Background And Purposes: The pathogenic BRCA1/2 germline mutations contributed to Hereditary Breast and Ovarian Cancer (HBOC) susceptibility. The features of BRCA1/2 germline mutations in non-small cell lung cancer (NSCLC) have not been systematically studied. Here we performed the first study investigating the characteristics of pathogenic BRCA1/2 germline mutations in Chinese NSCLC patients and compared them with those from Chinese HBOC.

RHBDD1 silencing inhibited cell growth and invasion of non-small cell lung cancer by mediating ZEB1/PI3K/AKT signaling pathway.

Rhomboid domain containing 1 (RHBDD1) gene, which was reported to be upregulated in human several cancer, was associated with carcinogenesis. However, the potential biological function of RHBDD1 in non-small cell lung cancer (NSCLC) carcinogenesis remains still not known. In this study, we aimed to investigate the role of RHBDD1 and its underlying molecular mechanism in NSCLC.

Seamlessly Splicing Metallic Sn Mo S at MoS Edge for Enhanced Photoelectrocatalytic Performance in Microreactor.

Accurate design of the 2D metal-semiconductor (M-S) heterostructure via the covalent combination of appropriate metallic and semiconducting materials is urgently needed for fabricating high-performance nanodevices and enhancing catalytic performance. Hence, the lateral epitaxial growth of M-S Sn Mo S/MoS heterostructure is precisely prepared with in situ growth of metallic Sn Mo S by doping Sn atoms at semiconductor MoS edge via one-step chemical vapor deposition. The atomically sharp interface of this heterostructure exhibits clearly distinguished performance based on a series of characterizations.

Silencing linc00662 inhibits cell proliferation and colony formation of lung cancer cells via regulating the miR-145-5p-PAFAH1B2 axis.

Lung cancer is the most common cause of cancer-related death in the world. Long non-coding RNAs (lncRNAs) are longer than 200 nucleotide transcripts, and are not translated into protein. The lncRNA linc00662 is overexpressed in lung cancer; however, its role in lung cancer is still unknown.

The performance of the / methylation assay is influenced by cancer stage, age, type and differentiation.

To investigate the clinicopathological factors affecting the assay performance and its application in lung cancer detection in Chinese population. A total of 455 subjects were recruited in this case-control study (302 untreated lung cancer patients, 153 normal subjects). Blood samples were collected before therapy and the level was measured with Epi proLung assay.

Stereospecific Electrophilic Fluorocyclization of α,β-Unsaturated Amides with Selectfluor.

An efficient fluorocyclization of ,-unsaturated amides through a formal halocyclization process is developed. The reaction proceeds under transition-metal-free conditions and leads to the formation of fluorinated oxazolidine-2,4-diones with excellent regio- and diastereoselectivity. The evaluation of the reaction mechanism based on preliminary experiments and density functional theory calculations suggests that a synergetic -oxo-fluorination occurs and is followed by an -oxo substitution reaction.

Large-Scale Growth of Ultrathin Low-Dimensional Perovskite Nanosheets for High-Detectivity Photodetectors.

Low-dimensional organic-inorganic hybrid perovskites have demonstrated to be promising semiconductor materials due to their unique optoelectronic properties, however, the controllable growth of high-quality ultrathin 2D perovskites with large lateral dimension still faces great challenges. Herein, we report the controllable growth of large-scale ultrathin 2D (CH(CH)NH)PbI ((PPA)PbI) perovskite nanosheets (NSs) using a facile antisolvent-assisted crystallization approach under mild condition. As a result, the well-defined regular-shaped (PPA)PbI NSs, with the largest lateral size over 100 μm, have been successfully synthesized, which is more than several ten times larger than that of other 2D perovskite NSs previously reported.

Nickel-Catalyzed Enantioconvergent Reductive Hydroalkylation of Olefins with α-Heteroatom Phosphorus or Sulfur Alkyl Electrophiles.

Substantial advances in enantioconvergent C(sp)-C(sp) bond formation reactions have been made in recent years through the use of transition-metal-catalyzed cross-coupling reactions of racemic secondary alkyl electrophiles with organometallic reagents. Herein, we report a general process for the asymmetric construction of alkyl-alkyl bonds adjacent to heteroatoms, namely, a nickel-catalyzed enantioconvergent reductive hydroalkylation of olefins with α-heteroatom phosphorus or sulfur alkyl electrophiles. Including the use of readily available olefins, this reaction has considerable advantages, such as mild reaction conditions, a broad substrate scope, and good functional group compatibility, making it a desirable alternative to traditional electrophile-nucleophile cross-coupling reactions.

Silencing of KCNK15-AS1 inhibits lung cancer cell proliferation via upregulation of miR-202 and miR-370.

Lung cancer is the most common cause of cancer-associated mortality globally. Long non-coding RNAs (lncRNAs) are transcripts with a length of >200 nucleotides, which are not translated into proteins. Growing evidence has indicated that certain lncRNAs are associated with various biological processes in cancer.

NUSAP1 knockdown inhibits cell growth and metastasis of non-small-cell lung cancer through regulating BTG2/PI3K/Akt signaling.

Non-small-cell lung cancer (NSCLC) is the most common malignancy along with high mortality rate worldwide. Recently, nucleolar and spindle-associated protein 1 (NUSAP1) has been reported to be involved in the malignant progression of several cancers. However, in NSCLC, the biological function of NUSAP1 and its molecular mechanism have not been reported.