Excitation dynamics in molecule resolved by internuclear distance driven by the strong laser field.

Rydberg-state excitation of stretched model molecules subjected to near-infrared intense laser fields has been investigated based on a fully quantum model (QM) proposed recently and the numerical solutions of time-dependent Schrödinger equation (TDSE). Given the good agreement between QM and TDSE, it is found that, as the molecules are stretched, the electron tends to be trapped into low-lying Rydberg-states after its ionization from the core, which can be attributed to the shift of the ionization moments corresponding to maximum excitation populations. Moreover, the n-distribution is broadened for molecules with increasing internuclear distance, which results from the change of momentum distribution of emitted electrons. Analysis indicates that both of the above phenomena are closely related to the interference effect of electronic wave packets emitted from different nuclei. Our study provides a more comprehensive understanding of the molecular excitation in intense laser fields, as well as a means of possible applications to related experimental observations.

Applied research of comprehensive advance geological prediction in Daluoshan water diversion tunnel.

In order to study the accuracy of comprehensive advanced geological prediction methods in tunnel construction projects, this paper takes the Daluoshan Water Diversion Tunnel Project in Wenzhou, Zhejiang Province as the basis of the project, selects a typical section of the water diversion tunnel, and uses Tunnel Seismic Tomography and Ground Penetrating Radar to transmit seismic and electromagnetic waves to the surrounding rock face of the tunnel, and process and interpret the collected signal information. Advanced borehole and drilling techniques are used for verification. The results show that the geological prediction results are consistent with the actual revealed conditions, and the advantages of various technologies can be exerted and mutually verified through advanced geological prediction, which can significantly improve the accuracy of advanced geological prediction in the application of water diversion tunnels and provide reference and basis for later construction, and provide safety assurance.

Arsenic pollution from human activities drives changes in soil microbial community characteristics.

Soil arsenic (As) pollution not only decreases plant productivity but also soil quality, in turn hampering sustainable agricultural development. Despite the negative effects of As contamination on rice yield and quality being reported widely, the responses of microbial communities and co-occurrence networks in paddy soil to As pollution have not been explored. Here, based on high-throughput sequencing technologies, we investigated bacterial abundance and diversity in paddy soils with different levels of As contamination, and constructed associated microbial co-occurrence networks. As pollution reduced soil bacterial diversity significantly (p < 0.001). In addition, bioavailable As concentrations were negatively correlated with Actinobacteria and Acidobacteria relative abundance (p < 0.05). Conversely, As pollution had a positive relationship with Chloroflexi, Betaproteobacteria, and Bacteroidetes relative abundance (p < 0.05). Firmicutes relative abundance decreased with an increase in total As concentration. The ecological clusters and key groups in bacterial co-occurrence networks exhibited distinct trends with an increase in As pollution. Notably, Acidobacteria play an important role in maintaining microbial networks in As contaminated soils. Overall, we provide empirical evidence that As contamination influences soil microbial community structure, posing a threat to soil ecosystem health and sustainable agriculture.

Stumbling Block in Providing Physical Activity Support Among Parents of Children with Autism Spectrum Disorder: A Moderated Mediation Analysis.

Physical activity (PA) benefits children with autism spectrum disorder (ASD). Evidence suggests that some barriers impede parents from providing PA support for their children with ASD. Parental perceived stigma is one of these barriers. However, few studies have explored how parental perceived stigma influences parental PA support. This study aimed to investigate the relationship between parental perceived stigma and parental PA support, the mediating role of parental self-efficacy, and the moderating effect of having other typically developing children or not. A total of 274 participants were recruited to participate in the study. The results showed that parental self-efficacy mediated the association between parental perceived stigma and parental PA support and the moderating effect of having other typically developing children or not.

Few-shot remote sensing image scene classification based on multiscale covariance metric network (MCMNet).

Few-shot learning (FSL) is a paradigm that simulates the fast learning ability of human beings, which can learn the feature differences between two groups of small-scale samples with common label space, and the label space of the training set and the test set is not repeated. By this way, it can quickly identify the categories of the unseen image in the test set. This method is widely used in image scene recognition, and it is expected to overcome difficulties of scarce annotated samples in remote sensing (RS). However, among most existing FSL methods, images were embed into Euclidean space, and the similarity between features at the last layer of deep network were measured by Euclidean distance. It is difficult to measure the inter-class similarity and intra-class difference of RS images. In this paper, we propose a multi-scale covariance network (MCMNet) for the application of remote sensing scene classification (RSSC). Taking Conv64F as the backbone, we mapped the features of the 1, 2, and 4 layers of the network to the manifold space by constructing a regional covariance matrix to form a covariance network with different scales. For each layer of features, we introduce the center in manifold space as a prototype for different categories of features. We simultaneously measure the similarity of three prototypes on the manifold space with different scales to form three loss functions and optimize the whole network by episodic training strategy. We conducted comparative experiments on three public datasets. The results show that the classification accuracy (CA) of our proposed method is from 1.35 % to 2.36% higher than that of the most excellent method, which demonstrates that the performance of MCMNet outperforms other methods.

Palladium/PC-Phos-Catalyzed Asymmetric Heck/Tsuji-Trost Reactions of Amino-Tethered 1,3-Cyclohexadiene with Aryl and Alkenyl Halides.

Chiral perhydroindoles are found in a number of natural products and biologically active compounds. Therefore, the development of new asymmetric methodology for rapid access to this core is of high importance. Herein, we reported a highly regio- and diastereo-selective palladium/PC-Phos-catalyzed asymmetric Heck/Tsuji-Trost reactions of readily available amino tethered 1,3-cyclohexadienes with aryl and alkenyl halides, delivering various functionalized chiral hexahydroindoles in good yields with high enantioselectivity. The application of this reaction to the concise synthesis of (-)-α-Lycorane was demonstrated. DFT computation results indicate that the difference in ΔEdis of two migration insertion transition states determines the enantioselectivity of the reaction.

Versatile Fluorine-Containing Building Blocks: ß-CF3-1,3-enynes.

The development of diversity-oriented synthesis based on fluorine-containing building blocks has been one of the hot research fields in fluorine chemistry. ß-CF3-1,3-enynes, as one type of fluorine-containing building blocks, have attracted more attention in the last few years due to their distinct reactivity. Numerous value-added trifluoromethylated or non-fluorinated compounds which have biologically relevant structural motifs, such as O-, N-, and S-heterocycles, carboncycles, fused polycycles, and multifunctionalized allenes were synthesized from these fluorine-containing building blocks. This review summarizes the most significant developments in the area of synthesis of organofluorine compounds based on ß-CF3-1,3-enynes, providing a detailed overview of the current state of the art.

Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.

Severe acute respiratory syndrome-coronavirus-1/2 (SARS-CoV-1/2) macrodomain 3 (Mac3) is critical for replication and transcription of the viral genome and is therefore a potential therapeutic target. Here, we solved the crystal structure of SARS-CoV-2 Mac3, which reveals a small-molecule binding pocket. Two low-molecular-weight drugs, oxaprozin and meclomen, induced different patterns of nuclear magnetic resonance (NMR) chemical shift perturbations (CSPs). Meclomen binds to site I of SARS-CoV-2 Mac3 with binding pose determined by NMR CSP and transferred paramagnetic relaxation enhancement, while oxaprozin binds to site II as revealed by the crystal structure. Interestingly, oxaprozin and meclomen both perturb residues in site I of SARS-CoV Mac3. Fluorescence polarization experiments further demonstrated that oxaprozin and meclomen inhibited the binding of DNA-G4s to SARS-CoV-2 Mac3. Our work identified two adjacent ligand-binding sites of SARS-CoV-2 Mac3 that shall facilitate structure-guided fragment linking of these compounds for more potent inhibitors.

Synthesis of Trifluoromethylated 4H-Pyran and 4H-Thiopyran via Divergent Reaction of ß-CF3-1,3-Enynes with ß-Ketothioamides.

A chemodivergent tandem intermolecular hydrocarbonation and intramolecular oxy- or thioheterocyclization sequence of ß-CF3-1,3-enyne with ß-ketothioamides (KTAs) leading to ring-trifluoromethylated 4H-pyran or 4H-thiopyran, respectively, by the combined use of AgNO3 as a catalyst and Et3N as a base was developed. A remarkable substituent effect was observed. The substituent on either the keto moiety or the nitrogen atom of ß-ketothioamides has a great impact on the chemoselectivity. Enynes possessing electron-withdrawing aryl groups on the alkyne moiety are generally good candidates for the present transformation.

Effects of Inflammatory Response Genes on the Immune Microenvironment in Colorectal Cancer.

Background: The close relationship between colorectal cancer and inflammation has been widely reported. However, the relationship between colorectal cancer and inflammation at the genetic level is not fully understood. Method: From a genetic perspective, this study explored the relationship between inflammation-related genes and the immune microenvironment in colorectal cancer. We identified prognostic genes, namely CX3CL1, CCL22, SERPINE1, LTB4R, XCL1, GAL, TIMP1, ADIPOQ, and CRH, by using univariate and multivariate regression analyses. A risk scoring model for inflammatory response was established, and patients in The Cancer Genome Atlas (TCGA) database and Gene Expression Omnibus (GEO) database were divided into two groups: high risk group and low risk group. Results: The analysis showed that the prognosis of the two groups was significantly different, and the low-risk group had a higher survival rate and longer survival time. Pathways related to apoptosis, inflammatory response, and hypoxia were significantly enriched as shown via Gene Set Enrichment Analysis (GSEA). Activated dendritic cell infiltration was found in both the TCGA and GEO databases, and the CCL21 gene played a significant role in the process of activated dendritic cell infiltration. CCL21 gene was also positively correlated with inflammatory response, and the gene expression and risk score were significantly different between the two groups. Conclusion: In summary, inflammatory response has a direct impact on patients with colorectal cancer in the prognosis and immune infiltration and further research studies on the inflammatory response can help in advancing the development of immunotherapy for colorectal cancer.

Impact of Left Atrial Appendage Closure Combined with Catheter Ablation on Endocrine and Mechanical Cardiac Function in Patients with Atrial Fibrillation.

Background: The combined procedure of left atrial appendage closure (LAAC) and catheter ablation (CA) is a safe and feasible therapy to treat patients with atrial fibrillation (AF). However, the effect of the combined procedure on cardiac function remains unclear. This study aimed to investigate the changes in endocrine and mechanical function of the heart following the combined procedure. Methods: This retrospective study included 62 consecutive patients who underwent the combined procedure of AF ablation and WATCHMAN LAAC and 62 sex and age-matched patients who only received AF ablation. During follow-up, patients were examined for brain natriuretic peptide (BNP) levels to represent endocrine cardiac function. Mechanical cardiac function was assessed during echocardiographic examination by means of the LA ejection fraction, LA strain (Ƹ), and LA strain rate (SR). Results: (1) The BNP levels decreased acutely after the procedure, rose at day 3 postoperation, but trended downwards at 3 months postoperation in both groups. No significant difference was observed between the two groups. (2) LA ejection fraction, LA Ƹ, and SR exhibited a continuous upward trend over a 3-month follow-up in both groups. There was no significant difference in LA ejection fractions, SRe (the parameter of LA conduit function), and SRa (the parameter of LA booster pump function) between the two groups. However, the Ƹ and SRs (the parameters of LA reservoir function) improved in patients treated with CA alone. Conclusions: The combined procedure of LAAC and CA significantly improved the endocrine and mechanical function of the heart. Compared to simple CA, based on CA with LAAC intervention, it does not significantly change LA endocrine function but may lead to a decline in the LA reservoir function.

Exposure of preschool-aged children to highly-concerned bisphenol analogues in Nanjing, East China.

Bisphenol analogues (BPs) have already attracted wide concern owing to the environmental and health risks they pose. The exposure pathways and health risk of preschool-aged children to BPs, however, are still poorly understood. In this study, we choose population survey with 184 preschool-age children from a suburb of Nanjing, eastern China, further reveal the internal and external exposures concentrations, distribution profiles, potential sources and eventually assess health risk of preschool-age children to eight kinds of BPs. The results verify that the 95th percentile (P95) concentrations of Æ©8BPs ranged from 0.27 to 41.6 ng/mL, with a median concentration of 7.83 ng/mL in the urine samples. BPA, and BPF were the predominant BPs in urine, accounting for 67.3%, and 18.0% of Æ©8BPs. The urine-based estimated daily intake (EDI) of Æ©8BPs was 187 ng/kg body weight/day. Similarly, BPA, and BPF were the main BPs in the environmental exposure sources, accounting for 80.8%, and 11.7% of the total BPs. Moreover, the total external exposure dose of Æ©8BPs via the environmental sources was 68.1 ng/kg body weight/day, including BPA (56 ng/kg body weight/day), BPF (7.68 ng/kg body weight/day) and BPB (2.62 ng/kg body weight/day). The oral intake of drinking water and food (vegetables and rice) was the main exposure pathways of BPs in preschool-age children. Furthermore, the hazard quotient (HQ) of BPs have been evaluated and the results show no occurrence of high risk. Additionally, the urine-based EDI was significantly higher than the total external exposure dose, suggesting the existence of other pathways of BP exposure to be further explored. To the best of our knowledge, this is the first study to conduct both an internal and external exposure assessment of BPs.

Temporal characterization of electron dynamics in attosecond XUV and infrared laser fields.

We use a Wigner distribution-like function based on the strong field approximation theory to obtain the time-energy distributions and the ionization time distributions of electrons ionized by an XUV pulse alone and in the presence of an infrared (IR) pulse. In the case of a single XUV pulse, although the overall shape of the ionization time distribution resembles the XUV-envelope, its detail shows dependence on the emission direction of the electron and the carrier-envelope phase of the pulse, which mainly results from the low-energy interference structure. It is further found that the electron from the counter-rotating term plays an important role in the interference. In the case of the two-color pulse, both the time-energy distributions and the ionization time distributions change with varying IR field. Our analysis demonstrates that the IR field not only modifies the final electron kinetic energy but also changes the electron's emission time, which is attributed to the change of the electric field induced by the IR pulse. Moreover, the ionization time distributions of the photoelectrons emitted from atoms with higher ionization energy are also given, which show less impact of the IR field on the electron dynamics.

The complete mitochondrial genome of Eastern Curlew Numenius madagascariensis (Charadriiformes, Scolopacidae).

The complete mitochondrial genome of Numenius madagascariensis Linnaeus, 1766 was sequenced in this study. The circular mitogenomes was 17,147 bp in length, containing 13 protein-coding genes, two ribosomal RNAs (12S rRNA and 16S rRNA), 22 transfer RNA genes, and a D-loop region. The overall nucleotide composition was A: 31.0%, T: 25.6%, C: 29.5%, and G: 13.9%. Twenty-eight genes were encoded on the heavy strand, while the remaining nine genes were encoded on the light strand. The common start codon was ATG, and three stop codons and an incomplete stop codon (T-) were used in PCGs. This study improves our comprehension of the mitogenomic characteristics and its phylogenetic relationships within Scolopacidae.

Synthesis of Trifluoromethylated Pyrazolidines, Pyrazolines and Pyrazoles via Divergent Reaction of ß-CF3-1,3-Enynes with Hydrazines.

Three types of trifluoromethylated pyrazolidines, pyrazolines, and pyrazoles can be synthesized via divergent reaction of ß-CF3-1, 3-enyne with hydrazines. The reaction with simple hydrazine monohydrate or sulfonyl hydrazines as nucleophiles produces 1,3,4-trisubstituted pyrazolines, whereas the reaction with acetyl hydrazine as nucleophiles affords 1,4,5-trisubstituted pyrazolidines. Using phenylhydrazine or tert-butylhydrazine as a reaction partner, the products are easily oxidized to form 1,4,5-trisubstituted pyrazoles.

Effects of Inflammation on the Immune Microenvironment in Gastric Cancer.

BACKGROUND: Chronic inflammation and immune cell dysfunction in the tumor microenvironment are key factors in the development and progression of gastric tumors. However, inflammation-related genes associated with gastric cancer prognosis and their relationship with the expression of immune genes are not fully understood. METHOD: In this study, we established an inflammatory response model score called "Riskscore", based on differentially expressed genes in gastric cancer. We used Survival and Survminer packages in R to analyze patient survival and prognosis in risk groups. The survival curve was plotted using the Kaplan-Meier method, and the log-rank test was used to assess statistical significance, and we performed the ROC analysis using the R language package to analyze the 1-, 3-, and 5-year survival of patients in the GEO and TCGA databases. Single-factor and multi-factor prognostic analyses were carried out for age, sex, T, N, M, and risk score. Pathway enrichment analysis indicated immune factor-related pathway enrichment in both patient groups. Next, we screened for important genes that are involved in immune cell regulation. Finally, we created a correlation curve to explore the correlation between Riskscore and the expression of these genes. RESULTS: The prognosis was significantly different between high- and low-risk groups, and the survival rate and survival time of the high-risk group were lower than those of the low-risk group. we found that the pathways related to apoptosis, hypoxia, and immunity were most enriched in the risk groups. we found two common tumor-infiltrating immune cell types (i.e., follicular helper T cells and resting dendritic cells) between the two risk groups and identified 10 genes that regulate these cells. Additionally, we found that these 10 genes are positively associated with the two risk groups. CONCLUSION: Finally, a risk model of the inflammatory response in gastric cancer was established, and the inflammation-related genes used to construct the model were found to be directly related to immune infiltration. This model can improve the gastric cancer prognosis prediction. Our findings contribute to the development of immunotherapy for the treatment of gastric cancer patients.

Helicobacter pylori Infection-Related Long Non-Coding RNA Signatures Predict the Prognostic Status for Gastric Cancer Patients.

BACKGROUND: Helicobacter pylori (H. pylori) is a type I biological carcinogen, which may cause about 75% of the total incidence of gastric cancer worldwide. H. pylori infection can induce and activate the cancer-promoting signaling pathway and affect the occurrence and outcome of gastric cancer through controlling the regulatory functions of long non-coding RNAs (lncRNAs). However, we have no understanding of the prognostic worth of lncRNAs for gastric cancer patients infected with H. pylori. METHOD: We screened differentially expressed lncRNAs using DESeq2 method among TCGA database. And we built the H. pylori infection-related lncRNAs regulatory patterns. Then, we constructed H. pylori infection-based lncRNAs prognostic signatures for gastric cancer patients together with H. pylori infection, via uni-variable and multi-variable COX regression analyses. Based on receiver operator characteristic curve (ROC) analysis, we evaluated the prediction effectiveness for this model. RESULTS: We identified 115 H. pylori infection-related genes were differentially expressed among H. pylori-infected gastric cancer tissues versus gastric cancer tissues. Functional enrichment analysis implies that H. pylori infection might interfere with the immune-related pathways among gastric cancer tissues. Then, we built H. pylori infection-related dys-regulated lncRNA regulatory networks. We also identified 13 differentially expressed lncRNAs were associated with prognosis for gastric cancer patients together with H. pylori infection. Kaplan-Meier analysis demonstrated that the lncRNA signatures were correlated with the poor prognosis. What is more, the AUC of the lncRNA signatures was 0.712. Also, this prognostic prediction model was superior to the traditional clinical characters. CONCLUSION: We successfully constructed a H. pylori-related lncRNA risk signature and nomogram associated with H. pylori-infected gastric cancer patients prognosis, and the signature and nomogram can predict the prognosis of these patients.

Occurrence, spatial distribution and risk assessment of high concern endocrine-disrupting chemicals in Jiangsu Province, China.

Endocrine-disrupting chemicals (EDCs) have attracted much concern because of the environmental and health risks they pose. Here we used liquid chromatography coupled with quadrupole-Orbitrap high-resolution mass spectrometry to quantify 10 types of EDCs at 118 sampling sites in Jiangsu Province, China, and then evaluated their respective environmental risk using a conservative risk quotient method. The results show that, in surface water, the targeted nonylphenol (NP), 4-tert-octylphenol (4-t-OP), and (2-ethylhexyl)phthalate (DEHP) were ranked highest, having mean concentrations above 300 ng/L. In comparison, both 4-t-OP and DEHP were also ranked highest, with mean concentrations above 100 ng/g, in the sediment samples. Moreover, the ∑10EDCs concentration in the Huai River Basin was similar to that in the Yangtze River Basin. Notably, Huai'an city had the maximum mean concentration for EDCs in the Huai River Basin, followed by Xuzhou city and Suqian city, while Yangzhou city ranked highest in the Yangtze River Basin. Furthermore, the corresponding risk distribution revealed that (1) NP, bisphenol A (BPA), and 4-t-OP are of medium to high risk in 70%, 100% and 95% of the surface water samples, and likewise in 45%, 88% and 100% of the sediment samples, respectively; the maximum RQ value for NP in surface water samples reached 74.9; (2) DEHP belongs to the high-risk category in all samples (100%), whose maximum RQ reached 54.7. To our best knowledge, this is the first study to report on the occurrence, spatial distribution, and risk assessment of EDCs of high concern in Jiangsu Province, China.

Catalytic ozone oxidation toluene over supported manganese cobalt composite: influence of catalyst support.

In this study, the manganese cobalt composite (Mn-Co)-loaded SiO2, MgO, TiO2, γ-Al2O3 and silicalite-1 were prepared by ultrasonic complexation method. The catalysts were characterized by XRD, BET, SEM, TEM, H2-TPR and XPS, and the activity of catalytic oxidation of toluene was evaluated. It was found that Mn-Co loaded γ-Al2O3 (Mn2CoOx/γ-Al2O3) exhibited excellent catalytic activity. When the gas hour space velocity (GHSV) was 45,000 h-1, the removal rate of toluene reached 91.2% within 5.5 h, and the selectivity of CO2 was 71.10% at ambient temperature. The operation of Mn2CoOx/γ-Al2O3 at different temperatures was investigated, and the better toluene removal efficiency more than 80% after reacting 9h was obtained at 50 °C. The characterization results showed that better catalytic activity is related to smaller grain size, higher Mn3+/Mn4+ values and the relative content of active oxygen species (OII + OIII). Increased amounts of low state species easily led to the imbalance of the catalyst surface charge and promoted the formation of more oxygen vacancies.

Mucosal microbial microenvironment in early gastric neoplasia and non-neoplastic gastric disease.

BACKGROUND AND AIM: The biological characterization of microbial environment in early gastric cancer (EGC), other than Helicobacter pylori, is limited. This study aimed to explore the microbial microenvironment in chronic gastritis (CG), fundic gland polyps (FGPs), low-grade intraepithelial neoplasia (LGIN), and EGC. METHODS: 16S-rRNA gene sequencing and bioinformatic analysis were performed on 63 individuals with 252 mucosal biopsies or endoscopic submucosal dissection margin samples from endoscopy. RESULTS: The microbiota in gastric LGIN functions analogously to EGC in terms of functional prediction. Neoplastic lesions showed a significant difference to CG or FGPs in beta diversity of the microbiota. Bacteria genera including Paracoccus, Blautia, Barnesiella, Lactobacillus, Thauera, Collinsella were significantly enriched in gastric neoplastic mucosa (LGIN and EGC) compared with non-neoplastic tissues (CG and FGPs). While Pseudomonas and Kingella were depleted in neoplastic tissues. FGPs showed a distinctive microbial network system that negatively interacted with Helicobacter. CONCLUSIONS: In terms of the mucosal microbial microenvironment, gastric LGIN and EGC showed no significant difference as early neoplastic lesions. We observed a coordinated microbial microenvironment that correlated negatively with Helicobacter.