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Objectives: Autism spectrum disorder (ASD) is a neurodevelopmental disorder with genetic and clinical heterogeneity. Owing to the advancement of sequencing technologies, an increasing number of ASD-related genes have been reported. We designed a targeted sequencing panel (TSP) for ASD based on next-generation sequencing (NGS) to provide clinical strategies for genetic testing of ASD and its subgroups.Methods: TSP comprised 568 ASD-related genes and analyzed both single nucleotide variations (SNVs) and copy number variations (CNVs). The Autism Diagnostic Observation Schedule (ADOS) and the Griffiths Mental Development Scales (GMDS) were performed with the consent of ASD parents. Additional medical information of the selected cases was recorded.Results: A total of 160 ASD children were enrolled in the cohort (male to female ratio 3.6:1). The total detection yield was 51.3% for TSP (82/160), among which SNVs and CNVs accounted for 45.6% (73/160) and 8.1% (13/160), respectively, with 4 children having both SNVs and CNV variants (2.5%). The detection rate of disease-associated variants in females (71.4%) was significantly higher than that in males (45.6%, p = 0.007). Pathogenic and likely pathogenic variants were detected in 16.9% (27/160) of the cases. SHANK3, KMT2A, and DLGAP2 were the most frequent variants among these patients. Eleven children had de novo SNVs, 2 of whom had de novo ASXL3 variants with mild global developmental delay (DD) and minor dysmorphic facial features besides autistic symptoms. Seventy-one children completed both ADOS and GMDS, of whom 51 had DD/intellectual disability (ID). In this subgroup of ASD children with DD/ID, we found that children with genetic abnormalities had lower language competence than those without positive genetic findings (p = 0.028). There was no correlation between the severity of ASD and positive genetic findings.Conclusion: Our study revealed the potential of TSP, with lower cost and more efficient genetic diagnosis. We recommended that ASD children with DD or ID, especially those with lower language competence, undergo genetic testing. More precise clinical phenotypes may help in the decision-making of patients with genetic testing.

ObjectiveEarly identification and intervention for children with global developmental delay (GDD) can significantly improve their prognosis and reduce the possibility of developing intellectual disability in the future. This study aimed to explore the clinical effectiveness of a parent-implemented early intervention program (PIEIP) for GDD, providing a research basis for the extended application of this intervention strategy in the future.MethodsDuring the period between September 2019 and August 2020, children aged 3 to 6 months diagnosed with GDD were selected from each research center as the experimental group and the control group. For the experimental group, the PIEIP intervention was conducted for the parent-child pair. Mid-term and end-stage assessments were performed, respectively, at 12 and 24 months of age, and parenting stress surveys were completed.ResultsThe average age of the enrolled children was 4.56 ± 1.08 months for the experimental group (n = 153) and 4.50 ± 1.04 months for the control group (n = 153). The comparative analysis of the variation in the progress between the two groups by independent t-test showed that, after the experimental intervention, the developmental quotient (DQ) of locomotor, personal-social, and language, as well as the general quotient (GQ) of the Griffiths Mental Development Scale-Chinese (GDS-C), the children in the experimental group demonstrated higher progress than those in the control group (P P ConclusionsPIEIP intervention can significantly improve the developmental outcome and prognosis of children with GDD, especially in the areas of locomotor, personal-social, and language.

IntroductionFragile X syndrome (FXS) is a X-linked neurodevelopmental disorder (NDD). This study aims to investigate the incidence of FXS in Chinese children and analyze the comprehensive clinical characteristics of these FXS children.MethodsChildren diagnosed with idiopathic NDD were recruited between 2016 and 2021 from the department of Child Health Care, Children's Hospital of Fudan University. We combined tetraplet-primed PCR-capillary electrophoresis and whole exome sequencing (WES)/panel or array-based comparative genomic hybridization (array-CGH) to identify the size of the CGG repeats and the mutations or copy number variations (CNVs) in the genome and in FMR1. The clinical features of FXS children were analyzed according to pediatricians' recording, parental questionnaires, the results of examinations and follow-up.ResultsThe incidence of FXS in Chinese children with idiopathic NDD was 2.4% (42/1753) and in those with FXS, 2.38% had a deletion (1/42). Here, we present the clinical characteristics of 36 children with FXS. Overweight was observed in two boys. The average intelligence quotient (IQ)/development quotient (DQ) of all FXS patients was 48. The average ages of meaningful words and walking alone were 2 years and 10 months and 1 year and 7 months, respectively. The most frequent repetitive behavior was stimulated by hyperarousal to sensory stimulation. On social aspects, social withdrawal, social anxiety, and shyness accounted for 75%, 58%, and 56% of the total number of children, respectively. Approximately 60% of FXS children in this cohort were emotionally labile and prone to temper tantrums. Self-injury and aggression toward others could also be observed, at 19% and 28%, respectively. The most frequent behavioral problem was attention-deficit hyperactivity disorder (ADHD) seen in 64% and the most common facial features were a narrow and elongated face and large or prominent ears in 92% of patients.DiscussionScreening of FMR1 full mutation provides the possibility for patients' further medical supports and the clinical features of FXS children obtained in this study will increase the understanding and diagnosis of FXS.

BackgroundRadiotherapy (RT) is one of the most important treatments for patients with colorectal cancer (CRC). Radioresistance is the crucial cause of poor therapeutic outcomes in colorectal cancer. However, the underlying mechanism of radioresistance in colorectal cancer is still poorly defined. Herein we established a radioresistant colorectal cancer cell line and performed transcriptomics analyses to search for the underlying genes that contribute to radioresistance and investigate its association with the prognosis of CRC patients.MethodsThe radioresistant cell line was developed from the parental HCT116 cell by a stepwise increased dose of irradiation. Differential gene analysis was performed using cellular transcriptome data to identify genes associated with radioresistance, from which extracellular matrix (ECM) and cell adhesion-related genes were screened. Survival data from a CRC cohort in the TCGA database were used for further model gene screening and validation. The correlation between the risk score model and tumor microenvironment, clinical phenotype, drug treatment sensitivity, and tumor mutation status were also investigated.ResultsA total of 493 different expression genes were identified from the radioresistant and wild-type cell line, of which 94 genes were associated with ECM and cell adhesion-related genes. The five model genes TNFRSF13C, CD36, ANGPTL4, LAMB3, and SERPINA1 were identified for CRC radioresistance via screening using the best model. A ROC curve indicated that the AUC of the resulting prognostic model (based on the 5-gene risk score and other clinical parameters, including age, sex, and tumor stages) was 0.79, 0.77, and 0.78 at 1, 2, and 3 years, respectively. The calibration curve showed high agreement between the risk score prediction and actual survival probability. The immune microenvironment, drug treatment sensitivity, and tumor mutation status significantly differed between the high- and low-risk groups.ConclusionsThe risk score model built with five radioresistance genes in this study, including TNFRSF13C, CD36, ANGPTL4, LAMB3, and SERPINA1, showed favorable performance in prognosis prediction after radiotherapy for CRC.

The role of Kupffer cell activation in immune liver damage induced by trichloroethylene associated with the IFN-γ/STAT1 signaling pathway by Si-fan Zhou, Qiong-ying Xu, Yi Yang, Hai-bo Xie, Jia-xiang Zhang, and Qi-xing Zhu in Toxicology and Industrial Health.

In this study, SiCp/AZ91 composites with enhanced mechanical properties was successfully obtained by a combined process route of equal channel angular pressing (ECAP) and rolling. The effect of ECAP and rolling on the microstructure and mechanical properties of SiCp/AZ91 composites were investigated by comparative analysis. Results showed that the high-pass ECAP process effectively refined the matrix grains and dispersed the SiCp, which gave rise to the final formation of homogenous microstructure in the rolled plate. A non-basal texture with high Schmidt factors was formed by ECAP process, while after rolling it turned into basal texture with relatively lower Schmidt factors. The SiCp/AZ91 composite obtained by the combined process method exhibited superior mechanical properties (yield strength of ∼348 MPa, ultimate strength of ∼411 MPa) and improved ductility (elongation of ∼6.3%) than the composite singly processed by rolling. The enhanced mechanical properties should be contributed to the homogenized microstructure with refined grains, uniformly distributed SiCp, accumulated dislocations and transferred texture.

C38H114Si18Te2, triclinic, P 1 ‾ $\overline{1}$ (no. 2), a = 9.0857(18) Å, b = 9.7412(19) Å, c = 24.213(5) Å, α = 94.25(3)°, β = 95.26(3)°, γ = 117.58(3)°, V = 1874.9(6) Å3, Z = 1, R gt (F) = 0.0425, wR ref (F 2) = 0.1580, T = 296(2) K.

Qiaoyu Zhu,1 Jianming Zhu,2 Xing Wang,3 Qiong Xu4 1School of Physical Education, Shanghai University, Shanghai, 200444, People’s Republic of China; 2Sports Department, East China University of Political Science and Law, Shanghai, 200042, People’s Republic of China; 3School of Kinesiology, Shanghai University of Sport, Shanghai, 200438, People’s Republic of China; 4School of Physical Health, Shanghai Business School, Shanghai, 201400, People’s Republic of ChinaCorrespondence: Qiong Xu, Email susxuqiong@163.comObjective: This paper aims to perform a systematic assessment of the influence of physical exercise on asthma patients and discuss the intervention effects of different exercises on the lung function FEV1 (%pred) and quality of life among asthma patients so as to lay a scientific foundation for improving asthma symptoms.Methods: Both Chinese and English databases were retrieved, including PubMed, Web of Science, Embase, The Cochrane Library, CBM, CNKI, Wan Fang Data, and VIP, whose retrieval period started from the founding date of each database to 1st, November 2021. Randomized controlled trials (RCT) studying the symptom indicators of asthma patients were collected. Those collected papers were screened according to the Inclusion Criteria and Exclusion Criteria. Then, methodological quality assessments were conducted on the included papers, and combined effect sizes were analyzed by using software ReMan 5.3.5.Results: The meta analysis showed that physical exercise could significantly improve lung function FEV1 (%pred) and quality of life score. Trails containing breathing exercise are the main source of heterogeneity, and the subgroup of breathing exercise may have better performance than the subgroup of aerobic exercise in improving FEV1 (%pred).Conclusion: Physical exercise can significantly improve the symptoms and quality of life of asthma patients. Except the breathing exercise that showed heterogeneity, the subgroup of aerobic exercise could improve the capacity of FEV1 (%pred) more effectively, which led to a significant difference in the influence of quality of life. However, with regard to the gymnastic exercise including breathing exercise, there are limited same intervention methods and insufficient same outcome indicators. Therefore, more precise and high-quality researches are needed to make deeper verification in the future.Keywords: physical exercise, asthma, lung function, quality of life, meta analysis

The active and well-designed Schiff base ligands are considered "privileged ligands". The so-called salen ligands, i.e., the tetradentate [O, N, N, O] bis-Schiff base ligands, have also found broad applications in many homogeneous catalytic reactions. Modification of the salen ligands has concentrated on altering the substituents in the phenolate rings and variations in the diamine backbones. Herein

This paper aims to perform a systematic assessment of the influence of physical exercise on asthma patients and discuss the intervention effects of different exercises on the lung function FEV1 (%pred) and quality of life among asthma patients so as to lay a scientific foundation for improving asthma symptoms.Both Chinese and English databases were retrieved, including PubMed, Web of Science, Embase, The Cochrane Library, CBM, CNKI, Wan Fang Data, and VIP, whose retrieval period started from the founding date of each database to 1st, November 2021. Randomized controlled trials (RCT) studying the symptom indicators of asthma patients were collected. Those collected papers were screened according to the Inclusion Criteria and Exclusion Criteria. Then, methodological quality assessments were conducted on the included papers, and combined effect sizes were analyzed by using software ReMan 5.3.5.The meta analysis showed that physical exercise could significantly improve lung function FEV1 (%pred) and quality of life score. Trails containing breathing exercise are the main source of heterogeneity, and the subgroup of breathing exercise may have better performance than the subgroup of aerobic exercise in improving FEV1 (%pred).Physical exercise can significantly improve the symptoms and quality of life of asthma patients. Except the breathing exercise that showed heterogeneity, the subgroup of aerobic exercise could improve the capacity of FEV1 (%pred) more effectively, which led to a significant difference in the influence of quality of life. However, with regard to the gymnastic exercise including breathing exercise, there are limited same intervention methods and insufficient same outcome indicators. Therefore, more precise and high-quality researches are needed to make deeper verification in the future.

A cyclic (R2 SnAu)3 anion (3- , R2 Sn=2,2,5,5-tetrakis(trimethylsilyl)-1-stannacyclopentane-1,1-diyl) has been synthesized as a stable blue salt with K+ (THF)6 through the reaction of stable dialkylstannylene 1 with R'3 PAuCl (R'=Et, Ph) followed by the reduction with KC8 . Crystallographic and NMR analysis shows that the six-membered (SnAu)3 ring of 3- is planar and highly symmetric with an equal distance of six Au-Sn bonds. A UV/Vis spectrum of 3- in hexane reveals an intense absorption maximum at 598 nm. While cyclic Au3 - with four valence electrons is known as unstable anti-aromatic anion, 3- with three divalent tin ligands is stable σ aromatic anion with an unprecedented Mobius orbital array as predicted by the perturbation MO and CCSD analysis of 3- .

Additional file 2. The ADC values.

Additional file 3: Fig. S1. Animal model establishment and new lesion formation. A Schematic diagram of the animal experiment. B The white arrow shows endometriotic lesions in the mice after model establishment. C Representative image of an endometriotic lesion with ZsGreen fluorescence, × 200; bar = 50 μm. D The short arrow shows the lesions found in the peritoneal cavity of mice in the experimental group. E Representative image of a new lesion with ZsGreen fluorescence; × 200; bar = 50 μm.

Disasters pose a serious threat to people’ lives and urban environment, affecting the sustainable development of society. Then it's crucial to quickly develop an efficient rescue plan for the disaster area. However, disaster rescue is rather difficult due to the requirement to develop the optimal rescue plan as quickly as possible according to the information of trapped people and rescue teams, and the amount of information will continue to increase as the rescue proceeds. At present, most of the rescue plans are manually made based on previous rescue experience. But obviously these plans might be the not optimal one. Considering the real-time location data of trapped people, this paper develops a Mixed Integer Non-linear Programming (MINLP) model to find the highest efficient rescue plan To solve the model accurately and efficiently, a bi-level decomposition (BLD) algorithm is presented to iteratively solve a discretized Mixed Integer Linear Programming (MILP) model and its nonconvex Non-linear Programming (NLP) model until a converged solution is obtained. In addition, since more trapped people could be found over time, the built rescue units should also be considered when making a rescue plan for a new stage. To further improve the solving efficiency, an accelerated bi-level decomposition (ABLD) algorithm is also proposed. Finally, a real-world disaster rescue is given to validate the superiority of the proposed ABLD algorithm relative to particle swarm optimization (PSO) algorithm and BLD algorithm.

C28H78Si10, monoclinic, Pn (no. 7), a = 21.413(4) Å, b = 9.8568(17) Å, c = 22.074(4) Å, β = 93.426(4)°, V = 4650.6(14) Å3, Z = 4, R gt(F) = 0.0613, wR ref(F 2) = 0.1750, T = 296(2) K.

The reactions of isolable dialkylgermylene 1 with benzoyl and substituted benzoyl chlorides afford the corresponding aroyl(chloro)germanes in high yields. While 2,2-dimethylpropanoyl chloride react...

A series of 1,2-N-substituted o-carboranes were obtained. The C-C bond lengths of secondary-amino o-carboranes 3 were compared. The relationship between C-C distances and the electron effects of the benzyl groups was discussed. DFT calculations with and without dispersion energy correction show that significant attractive dispersion forces were present, which arise from the skeletons of the o-carborane cages.

Aromatic conjugation at the [β] position is an efficient strategy to construct NIR BODIPY dyes; functionalization of such BODIPYs is difficult because of fewer modifiable positions. The methyl group at the 3,5-position can be versatilely functionalized by the Knoevenagel condensation reaction. In this paper, a small series of non-symmetric thieno[3,2-b]thiophene-fused BODIPYs have been prepared via the condensation of 7H-thieno[2′,3′:4,5]thieno[3,2-b]pyrrole-6-carbaldehydes and various pyrroles, followed by coordination with BF2. The resulting BODIPY dyes exhibited red absorption and emission with extremely high absorption coefficients (2 × 105 M−1 cm−1) and fluorescence quantum yields up to 1.00. Importantly, the remaining methyl group at the 3-position can be further functionalized to achieve NIR probes; we then synthesized an organosilicon-based probe for F− and evaluated its imaging in living cells. The structure–property relationships were interpreted on the basis of X-ray crystallography, optical spectroscopy and theoretical calculations.

Today, an increase in vancomycin dose has been proposed to ensure efficacy. However, the risk of nephrotoxicity will increase with the dose. The aim of this study was to evaluate the dosage regimens of vancomycin in pediatric patients based on pharmacokinetics/pharmacodynamics (PK/PD) and to optimize dosage individualization. Population pharmacokinetics analysis was performed on 155 Chinese children (aged 1 month to 16 years), which were divided into various renal function subpopulations. Monte Carlo simulation was carried to evaluate the efficacy and safety of vancomycin dosage regimens on each subpopulation. Compared with children with normal renal function as glomerular filtration rate (GFR) ≥ 90 mL/min·1.73 m2, the clearance of vancomycin decreased by 39.4% and the half life increased 1.74 fold respectively in children with moderate renal inadequacy (30 ≤ GFR < 60 mL/min·1.73 m2). When vancomycin was administered as conventional dosage (40-60mg·kg-1·d-1) to against methicillin-resistant staphylococcus aureus (MRSA) with higher MICs of 1-2 mg·L-1 for children with normal renal function, the probability of efficacy target attainment ( PTA) at AUC0-24h/MIC ≥ 400 (where AUC is the area under curve and MIC is the minimum inhibitory concentration) achieved ≤ 63.64%. While vancomycin dosage exceeded 70mg·kg-1·d-1 for children with normal renal function, 50mg·kg-1·d-1 for mild renal inadequacy (60 ≤ GFR < 90 mL/min·1.73 m2), 30 mg·kg-1·d-1 for moderate renal inadequacy respectively, the PTA at trough concentration above 20 mg·L-1 achieved > 20%, that not to be suggested for high risk of nephrotoxicity. Considering both efficacy and safety, the conventional vancomycin dosage is not enough and adjustable interval is narrow for pediatric patients with MIC 1-2 mg·L-1 MRSA infection and normal renal function.

This paper summarized the practice of hierarchical specialized training of nurses in the physical examination center during the epidemic of COVID-19. In this training program, contents of training were designed focusing on the working purpose, mental status and knowledge level of nurses with different levels. Aims of the training was to improve nurses’ ability of COVID-19 prevention and control and improve their emergency capacity.

This paper presents a dictionary learning-based method with region-specific image patches to maximize the utility of the powerful sparse data processing technique for CT image reconstruction. Considering heterogeneous distributions of image features and noise in CT, region-specific customization of dictionaries is utilized in iterative reconstruction. Thoracic CT images are partitioned into several regions according to their structural and noise characteristics. Dictionaries specific to each region are then learned from the segmented thoracic CT images and applied to subsequent image reconstruction of the region. Parameters for dictionary learning and sparse representation are determined according to the structural and noise properties of each region. The proposed method results in better performance than the conventional reconstruction based on a single dictionary in recovering structures and suppressing noise in both simulation and human CT imaging. Quantitatively, the simulation study shows maximum improvement of image quality for the whole thorax can achieve 4.88% and 11.1% in terms of the Structure-SIMilarity (SSIM) and Root-Mean-Square Error (RMSE) indices, respectively. For human imaging data, it is found that the structures in the lungs and heart can be better recovered, while simultaneously decreasing noise around the vertebra effectively. The proposed strategy takes into account inherent regional differences inside of the reconstructed object and leads to improved images. The method can be readily extended to CT imaging of other anatomical regions and other applications.

Summary Chirality widely exists in a diverse array of biologically active molecules and life forms, and the catalytic constructions of chiral molecules have triggered a heightened interest in the fields of chemistry and materials and pharmaceutical sciences. However, the synthesis of silicon-stereogenic organosilicon compounds is generally recognized as a much more difficult task than that of carbon-stereogenic centers because of no abundant organosilicon-based chiral sources in nature. Herein, we reported a highly enantioselective rhodium-catalyzed trans-selective hydrosilylation of silicon-tethered bisalkynes to access chiral benzosiloles bearing a silicon-stereogenic center. This protocol featured with chiral Ar-BINMOL-Phos bearing hydrogen-bond donors as a privileged P-ligand for catalytic asymmetric hydrosilylation that is operationally simple and has 100% atom-economy with good functional group tolerability as well as high enantioselectivity (up to >99:1 er). Benefiting from the trans-selective hydrosilylation with the aid of Rh/Ar-BINMOL-Phos-based asymmetric catalysis, the Si-stereogenic benzosiloles exhibited pronounced aggregation-induced emission (AIE) and circularly polarized luminescence (CPL) activity., Graphical Abstract, Highlights • Precise and facile construction of silicon-stereogenic center by desymmetrization • Highly enantioselective Rh-catalyzed hydrosilylation controlled by MFMC P,O,O-ligand • Catalytic asymmetric synthesis of AIE- and CPL-active chiral Si-center benzosiloles • The proposed mechanism is supported by NMR and kinetic studies, Chemistry; Organic Synthesis; Stereochemistry

Xu-Qiong Huang,1,* Shuai Hao,1,* Zi-Qi Zhou,2 Bin Huang,1 Jia-Ying Fang,1 Yan Tang,2 Jian-Hua Zhang,3 Jian-Chuan Xia2 1Huadu District People’s Hospital of Guangzhou, Southern Medical University, Guangzhou, Guangdong Province, People’s Republic of China; 2State Key Laboratory of Oncology in Southern China, Sun Yat-Sen University Cancer Center, Guangzhou, Guangdong Province, People’s Republic of China; 3Department of Health Service Management, Guangzhou University of Chinese Medicine, Guangzhou, Guangdong Province, People’s Republic of China*These authors contributed equally to this workCorrespondence: Jian-Chuan XiaState Key Laboratory of Oncology in Southern China, Sun Yat-Sen University Cancer Center, 651 Dong-Feng Road East, Guangzhou 510060, People’s Republic of ChinaTel +86-20-87343173Fax +86-20-87343392Email xiajch@mail.sysu.edu.cnJian-Hua ZhangDepartment of Health Service Management, Guangzhou University of Chinese Medicine, 232 Wai-Huan Road East, Guangzhou 510006, People’s Republic of ChinaTel/Fax +86-20-39358999Email zhangjh1962@hotmail.comObject: This study aimed at investigating the clinical significance and biological function of ubiquitination factor E4B (UBE4B) in human renal cell carcinoma (RCC).Methods: 19 paired clear cell renal cell carcinoma (ccRCC) tumor samples and the matched neighboring non-tumor samples were used to detect the expression of UBE4B in RCC tumor by Western blotting and RT-qPCR. UBE4B expression was also detected in 151 ccRCC paraffin-embedded tumor samples by using immunohistochemistry. Overall survival (OS) in different UBE4B expression groups were compared with Log rank test. The prognostic value of UBE4B expression in OS was evaluated with the univariate and multivariate Cox regression models. UBE4B was knocked down by small interfering RNA (siRNA) technology, and the effect of UBE4B on cell proliferation, colony formation, metastasis, apoptosis and cell cycle of RCC cells were examined in vitro.Results: Both protein and mRNA levels of UBE4B were up-regulated in ccRCC tumor tissues in contrast to the corresponding adjacent nontumor ones. UBE4B expression was positively associated with tumor-node-metastasis (TNM) stage and distant metastasis in ccRCC patients. Survival analyses indicated that low expression of UBE4B was associated with increased OS in ccRCC patients. Functional analyses demonstrated that siRNA silencing of UBE4B expression in SKRC39 and ACHN cells further reduced the growth, motility and invasiveness of RCC cells. Moreover, siRNA silencing of UBE4B in the RCC cell lines did not induce apoptosis, and an increase in the cell population was observed during the G0/G1 phase of the cell cycle.Conclusion: UBE4B might act as an oncogene in regulating RCC development. Therefore it could be served as an effective indicator to predict OS and a potential biomarker for targeted therapy of RCC patients.Keywords: renal cell carcinoma, UBE4B, prognosis, oncogene

A comprehensive investigation of the roles of water catalysts on O3 with HNO in the troposphere has been carried out by quantum chemical calculations at the CCSD(T)/aug-cc-pVTZ//M06-2X/6-311++G(2d,2p) levels of theory. Besides, the AIMD (ab initio Molecular Dynamics) simulation also used to help us to understand the mechanism of this reaction. The results show that the HNO + O3 reaction undergoes a channel for the formation of NO + HO3 and overcomes the energy barrier of 1.60 kcal·mol−1. After adding water molecules, the obtained product did not change, but the potential energy surface was much more complicated than the bare reaction, and it went through four reaction channels of HNO···H2O + O3, H2O···HNO + O3, H2O···O3 + HNO and O3···H2O + HNO. Among them, the channel HNO···H2O + O3 is the dominant channel for water molecules to participate in the reaction. Overall, these results show how water catalyzed the gas-phase reactions under atmospheric conditions.

Somatic cell nuclear transfer (SCNT) is the only reproductive engineering technique that can confer genomic totipotency on somatic cell. SCNT is of great significance for animal germplasm conservation, animal husbandry development, and biomedical research. Although many research advances have been made in this technology, the developmental rate of SCNT mammalian embryos is very low, which seriously limits the application of SCNT in animal husbandry and biomedicine. The primary reason for the low efficiency of cloned embryos is somatic cell reprogramming errors or incomplete reprogramming. These errors or incompleteness present as the abnormal expression of imprinted gene

The reactions of stable monomeric dialkylstannylene 1 with methyl and ethyl propynoates give the corresponding 1:2 adducts, alkenyl(alkynyl)stannane 2 and 3 in high yields, while 1 does not react with parent acetylene or common mono- and disubstituted acetylenes such as phenylacetylene, trimethylsilylacetylene, diethyl 2-butynedioate, etc. Notably, 2 and 3 have the Z-configuration of the alkenyl moieties, in contrast to similar adducts obtained by the known reactions of silylenes with terminal acetylenes. It is suggested that the formation of a carbonyl oxygen-coordinate cyclic zwitterion as a key intermediate is essential for the reactions. Stannylene 1 adds to in situ generated benzyne, forming a 1:1 adduct having a unique 3-stanna-1-silaindane ring system.

The reaction of dipotassio-tetrasilan-1,4-diide (4) with anhydrous SnCl2 at low temperature results in the formation of a five-membered cyclic potassio chlorostannate(II) ([(18-C-6)K](1)). By careful cation exchange reactions, it was transformed into the sodium chlorostannylenoid 2 (by using Na2 [B12 Cl12 ]) or into the non-stabilized cyclic bissilylstannylene 3 (through applying Li[Al(OC(CF3 )3 )4 ]). The increasing Lewis basicity of the bissilylstannylene 3 was analyzed by combined methods of DFT calculations and NMR spectroscopy and substantiated by the synthesis of the corresponding iron carbonyl complexes 7 and 8 from the chlorostannate 1 and the stannylene 3, respectively.

Epidemiological studies have identified that high levels of low-density lipoprotein-cholesterol (LDL-C) and low levels of high-density lipoprotein-cholesterol (HDL-C) are two independent causes of cardiovascular disease (CVD). Statins, niacin and fibrate are used for the treatment of CVD. However, some defects are shown in the treatment process. Thus, there is a demand for better treatment strategies that confer preferable efficacy with fewer side effects. Cholesteryl ester transfer protein (CETP) promotes the movement of CEs from HDL to LDL and VLDL in exchange for triglycerides (TGs).In this review, we reviewed the development and therapeutic applications of CETP inhibitors. A comprehensive review of the patents and pharmaceutical applications between 2009 and 2017 has been highlighted.Recently, CETP inhibitors have attracted considerable interest in atherosclerosis-related disease. There are four drugs (torcetrapib, anacetrapib, evacetrapib and dalcetrapib) that have been clinically evaluated in phase III clinical trials and showed promising results in raising HDL-C levels, but there were suboptimal performances in reducing the risk of cardiovascular events with all the compounds. The correlation between plasma HDL-C levels and CVD incidence needs further verification. The timeline is still long for CETP inhibitors to emerge from the treatment of CVD.

The experimental studies on heat transfer and flow resistance characteristics of ellipse-shape micro pin fin have been conducted which is drafted with hydrophobic material, holding the various contact angles fulfilled by adjusting the amount of Nano particle. The results show that with the increases of contact angle(83°,99.5°, 119.5°and 151.5°), the bottom wall temperature rises under the same flow rate. Under a certain heating condition with heating power as 100 W, the average convective heat transfer coefficient decreases with the increase of contact angle with the same Re. The value of Nu for ellipse-shape micro pin fin increases with a higher Re, with the maximum value under experimental condition of Nu as 25. Besides, the friction coefficient of micro pin fin experimental section drafted hydrophobicity treatment significantly decreases, compared with the smooth micro pin fin experimental section (θ = 83°). While the higher contact angle has obvious positive influences on friction coefficient under the same Re. Generally, the flow resistance performance of ellipse-shape micro pin fin drafted with hydrophobic material is better than that without any treatment.

π-conjugated systems containing boron have emerged as exciting subjects in contemporary organic materials chemistry. A number of fascinating organoboron materials have been reported, however, knowledge of how the substituents on the boron affect electronic properties is inadequate. Herein, three new C, N chelates were designed, changing the substituent at boron led to the formation of tetra- and tri-coordinated systems that have distinct electronic structures and photophysical properties. The fluorophores containing different coordinate boron atom always exhibited distinctive optical properties, however, the exploration of the influence of the boron substituent on the molecular structures and electronic properties is inadequate. Herein, three new C, N chelates were designed, changing the substituent at boron led to the formation of tetra- and tri-coordinated systems that have distinct electronic structures and photophysical properties.

The reactions of isolable dialkylstannylene 1 with 1-adamantanoyl, 2,2-dimethylpropanoyl, benzoyl, and substituted benzoyl chlorides afford the corresponding acyl(chloro)stannanes in good yields. Similar reactions with more reactive acetyl and propanoyl chlorides do not give the corresponding insertion products but the corresponding dichlorostannane by the overreaction. The benzoyl(chloro)stannane reacts with acetyl chloride to afford the corresponding 1,2-dione and the dichlorostannane quantitatively. Acyl(chloro)stannanes obtained were fully characterized by multinuclear NMR spectroscopy, high-resolution mass spectrometry, and by single-crystal X-ray diffraction studies.

We describe herein the first facile synthesis of silyl- and disilanyl-BODIPYs through transition-metal-catalyzed dehalosilylation of iodo-BODIPYs using a Pd(P(t-Bu)3)2/Et3N/toluene system. Various mono- and bis-silyl-BODIPYs, mono and bis-disilanyl-BODIPYs and bis-BODIPYs linked by silylene and SiOSi groups have been synthesized by using this straightforward method. Silyl- and disilanyl-substitution significantly modifies the spectroscopic properties of the BODIPY, in which the fluorescence quantum yields of the silyl-BODIPYs are remarkably enhanced, whereas the emission spectra of disilanyl-BODIPYs are red-shifted due to the effective sigma(SiSi)-pi(BODIPY) conjugation.

Several aza boron-pyridyl-isoindoline analogues are synthesized through a facile and scale-up two step reaction using 1,2-naphthalenedicarbonitrile as a starting material. These analogues show broad envelopes of intense vibrational bands in the absorption spectra with moderate fluorescence quantum yields in solution and the solid-state. An analysis of the structure–property relationships is described based on X-ray crystallography, optical spectroscopy, and theoretical calculations.

A cyclic (R

A new series of 3-substituted 4-methylene-quinazolinthiones and 4-methylene-quinazolinones were synthesized in moderate to excellent yield through a simple reaction of 2-aminoacetophenones with isocyanates or isothiocyanates. The reaction shows good tolerance of many important functional groups in the presence of air and water under metal-free conditions. Only water is produced as a coproduct, rendering this “green” methodology a highly versatile and eco-friendly alternative to the existing methods for the construction of the quinazolinone/quinazolinthione framework. We have interpreted the reaction mechanism by use of quantum chemical calculations on the basis of state-of-the-art computational methods SMD-B3LYP-D3(BJ)/BS1//B3LYP/BS1.

The synthesis of a series of 1,2-diamino-o-carboranes (1-4) is reported. The molecular structures of these diamino-o-carboranes are remarkable as the inner-cluster C-C bonds are all ultra-long (162.7-193.1 pm) and vary substantially with small variations in the substituents. The results of quantum mechanical investigations suggest that the origin of the bond elongation is significant in-plane negative hyperconjugation of lone pairs of the nitrogen substituents with the σ* orbitals of the C-C bonds in o-carboranes.

In this study, Clostridium spp. was counted in 49 Chinese commercial sufu samples, and 25 samples were detected Clostridium in all samples: the detection rate was 51.02%. About 93.87% of the samples contained Clostridium at low levels (log CFU/g＜3.0) and one sample had over 4.12lg CFU/g indicating potential hazard to consumers. The 16S rDNA identification was carried out on the genus Clostridium, and the isolates were confirmed as Clostridium botulinum, Clostridium sporogenes, Clostridium beijerinckii and Clostridium bifermentans, while Clostridium butyricum, Clostridium botulinum, Clostridium perfringens and Clostridium bifermentans were the species detected in the sufu samples by high-throughput sequencing. Based on these results, the research on the number and distribution of clostridium and the possible risks of biotoxins in fermented food needs to be strengthened. To our knowledge, this is the first study to isolate and identify Clostridium spp. in sufu.

The synthesis of an optically active hemiporphyrazine with chiral binaphthyl substituents (1) is reported, providing the first example of the incorporation of an intrinsically chiral moiety into the macrocyclic core of a hemiporphyrazine analogue. A negative circular dichroism (CD) signal is observed in the 325-450 nm region of the CD spectrum of (S,S)-1, while mainly positive bands are observed in the 220-325 nm region. Mirror symmetry is observed across the entire wavelength range of the CD spectra of (R,R)-1 and (S,S)-1. An irreversible one-electron oxidation wave with an onset potential at 1.07 V is observed by cyclic voltammetry, along with a reversible one-electron reduction wave at -0.85 V. Density functional calculations reproduce the experimentally observed data and trends, and provide further insight into the nature of the electronic transitions.

The reaction of isolable dialkylstannylene 1 with an excess amount of CS2 produces an isomeric mixture of 3,3′-distanna-2,2′,4,4′-tetrathiabicyclobutylidene 8 and 3,7-distanna-2,4,6,8-tetrathiabicyclo[3.3.0]oct-1(5)-ene 9 with a ratio depending on the reaction conditions. Compounds 8 and 9 are separated by column chromatography and characterized by NMR spectroscopy and X-ray crystallography. Detailed investigation of the reaction has revealed that the initial product is 8, which isomerizes to 9 irreversibly under the catalytic influence of 1 as a Lewis acid. The above view is supported by the theoretical DFT calculations. Treatment of 1 with ArN═C═O [Ar = 2,6-iPr2C6H3] affords the corresponding carbamoyl(hydroxyl)stannane 11 via the hydrolysis of the corresponding silaaziridinone formed by the [1 + 2] cycloaddition reaction of 1 with the N═C double bond of the isocyanate. Stannylene 1 reacts with ArN═C═S, giving a mixture of complex products, while 1 does not react with CO2.

A 1,3-diazasilabicyclo[1.1.0]butane (1) is synthesized as thermally stable crystals by using the cycloaddition reaction of an isolable dialkylsilylene with aziadamantane. The bridge N-N bond length of 1 (1.70 Å) is the longest among those of known N-N singly-bonded compounds, including side-on bridged transition-metal dinitrogen complexes. The compound 1 is intact in air but moisture sensitive. No reaction occurs with hydrogen, even under pressure at 0.5 MPa. Irradiation of 1 with light gives an isomer quantitatively by N-N and adamantyl C-C bond cleavage. The origin of the remarkable N-N bond elongation is ascribed to significant interaction between a Si-C σ* and Ν-Ν π and σ orbitals as determined by DFT calculations of model compounds.

A sterically demanding TBS-substituted oligosilane (4, TBS = t-butyldimethylsilyl) was stepwisely formed by reactions of oligosilanyl potassium compound and the corresponding chlorosilane. Although a well-established method, the ring closure reaction of compound 4 in the presence of t-BuOK and 18-Cr-6 with SiX4 (X = Cl, Br) failed. The silyl potassium compound was then transformed to silyl Grignard compound 5, which can be used to react with SiX4 to give the dihalocyclopentasilanes (6, X = Cl; 7, X = Br) successfully. The molecular structures of 3–7 have been confirmed by X-ray single-crystal analyses.

The synthesis and optical properties of a novel series of disilanylene-bridged BODIPY-based D–σ–A chromophores are reported. Si–Si σ-electrons are useful and impressible for tunable optical properties. The electron-donating group facilitates enhancement of the CT nature of the excited state through σ(Si–Si) orbital, leading to the remarkable two-photon absorption cross-sections.

© 2017 International Society for Autism Research, Wiley Periodicals, Inc. To evaluate the effects of a 26-week, high-intensity, parent-implemented Early Start Denver Model (P-ESDM) intervention on developmental outcomes, severity of autism spectrum disorder (ASD), and parental stress of ASD toddlers in China. Subjects in P-ESDM group (n = 23) were recruited from 1.5- to 2.5-year-old toddlers who were screened positive in Xuhui and Minhang Districts and were diagnosed with ASD. A community (comparison) group of age-matched toddlers with ASD (n = 20) was recruited from other areas. Subjects of the P-ESDM group attended 1.5-hr parent coaching per week for 26 weeks, and those in the community group received interventions available from communities. Assessments were conducted at baseline (T1) and 26 weeks later (T2). After adjusting for baseline differences between the two groups, P-ESDM group demonstrated greater improvement than the community group in general development, especially in Language domain. Neither group demonstrated significant change in ASD severity, but the P-ESDM group showed greater improvement in social affect, parent-reported social communication and symbolic play than community group did. Finally, parents in P-ESDM group experienced decreased parenting stress while those in community group showed an opposite trend, though the differences did not reach significant association with the P-ESDM intervention. Chinese toddlers with ASD receiving 26 weeks of P-ESDM via regular coaching sessions showed significant greater improvement than those receiving community interventions in multiple aspects of development including social communications. These findings add support to the importance of providing early screening, diagnosis, and immediate referral for evidence-based interventions to improve outcome of young children with ASD. Autism Res 2018, 11: 654–666. © 2017 International Society for Autism Research, Wiley Periodicals, Inc. Lay Summary: The development of early screening and diagnosis of autism spectrum disorder (ASD) in China has highlighted the importance of early intervention for young children with ASD. Our current study demonstrated that parent-implemented Early Start Denver Model (P-ESDM) via coaching from professionals improved developmental outcomes, especially in the language domain, and social communicational behaviors of Chinese toddlers with ASD. P-ESDM may help parents in China provide effective early intervention to their children with ASD via improving their skills when they are still at a waiting list for services or lack access to intervention, and has the potential to alleviate their parenting stress.

CBS-QB3 method has been employed to determine the geometries, the vibrational frequencies of the reactants, the products and the transition states involved in intramolecular hydrogen-transfer and decomposition reactions of the free gas-phase H3N···HN(NO2)2 (ADN*). The results show that the intramolecular hydrogen-transfer reaction of ADN* is more feasible than that of HDN. ADN* and its hydrogen-transfer isomers ADN*-IIa,b,c decompose along four channels to form NH3 + HONO + 2NO (PI), ȮH + ṄO3 + N2 + NH3 (PII), ȮH + ṄO2 + N2O + NH3 (PIII), and HNO3 + N2O + NH3 (PIV), respectively. It has been found that the dominant decomposition channels are PI and PIII. The hydrogen-transfer reaction can reduce the barrier of elimination of NO2 and forming N2O reactions in ADN* and HDN. The decomposition of ADN*-IIc to form NO2 and N2O is more feasible than that of the gas-phase HDN. The rate constants (k) of rate-determining step of ADN* show that kPI and kPIII are higher than kPIV and kPII. Compared with HDN-IIc → N2O+ȮH+ṄO2, kPIII of ADN*-IIc is significantly higher than that of kHDN-IIc. These results reveal that NH3 (as a chaperon) has a certain influence on the decomposition mechanisms and kinetics of ADN*.

To detect the best antibiotic protocol for prostate biopsy and to assess the potential risk factors postbiopsy in Chinese patients. A total of 1526 patients underwent biopsy were assessed retrospectively. The effect of 3 antibiotic protocols was compared, including fluoroquinolone (FQ) monotherapy, third-generation cephalosporin combined with FQ and targeted antibiotics according to the prebiopsy rectal swab culture result. Postbiopsy infection (PBI) was defined as fever and/or active urinary tract symptoms such as dysuria or frequency with pyuria and/or leucocytosis, sepsis is defined as the presence of clinically or microbiologically documented infection in conjunction with systemic inflammatory response syndrome. The relationship between infections and clinical characteristics of patients was assessed. Data were first picked out in univariate analysis and then enter multivariate logistic regression. Thirty-three (2.2%) patients developed febrile infection. The combination antibiotic prophylaxis could significantly decrease the rate of PBI than FQ monotherapy (1.0% vs 4.0%, P = .000). The infection rate of the targeted antibiotic group was 1.1%, but there was no significant statistic difference compared with FQ alone (P = .349). Escherichia coli was the most predominant pathogen causing infection. Rectal swab revealed as high as 47.1% and 36.0% patients harbored FQ resistant and ESBL-producing organisms, respectively. In univariate analysis, overweight (BMI between 25 and 28 kg/m2), obesity (BMI > 28 kg/m2), diabetes were picked out as potential risk factors. Obesity remained as risk factor (OR = 12.827, 95% CI: 0.983–8.925, P = .001) while overweight and diabetes were close to significance (P = .052, .053, respectively). The combined cephalosporin with FQ prophylaxis could significantly decrease the risk of infectious complications. Obesity was an independent risk factor for PBI.