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The aim of this study was to establish a comprehensive strategy based on liquid chromatography coupled with mass spectrometry to potently identify as many compounds of Chinese patent medicine as possible. Ultrahigh performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) was used to qualitatively analyze the Chinese patent medicine Xiao’er Chiqiao Qingre Granules (XCQG), which is recorded in the Chinese Pharmacopoeia. A novel strategy, including targeted, semi-targeted and non-targeted identification, was built to explore the compounds based on accurate mass, characteristic fragments, retention time of standard substances, databases or literature. Based on the integrated identification, 250 compounds were identified in total, including 7 alcohols, 3 aldehydes, 17 alkaloids, 9 amino acids, 10 coumarins, 30 flavonoids, 29 glycosides, 12 ketones, 7 lignans, 20 organic acids, 12 phenols, 11 phenylpropanoids, 9 quinones, 3 steroids, 26 terpenes, 14 volatile oils and 31 other compounds. A novel strategy for the identification of compounds in traditional Chinese medicine (TCM) was developed with Ultrahigh performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS). It is also the first systematic study of compounds in XCQG, laying a foundation for further mechanism research of XCQG. More importantly, the strategy shows good application prospect in identifying compounds of TCM.

The electronic and spin structure of Sc3N@C80 and Sc3C2@C80 was finely regulated via a Prato reaction.

Oxygen vacancies enriched MgAl-LDH coordinated transition metal hydroxides M(OH)x photocatalysts perform excellent in the selective hydrogenation of α,β-unsaturated aldehydes to corresponding alcohols under visible light irradiation.

The study employed ERP technique to explore whether the affordance derivation can facilitate semantic access in comprehending Chinese puns. ERPs were measured while participants read the pun sentences containing dual meanings and made a judgement about the following probes and statements. The results showed that highly related probes in pun sentences elicited a smaller N400 and a larger LPC than moderately related probes in pun sentences. As for the comparison of sentence types, both highly and moderately related probes in pun sentences produce a smaller N400 and a larger LPC than those in control sentences. These results indicate that in the early stage of pun comprehension, semantic access to the literal meaning is easier through affordance derivation because of meaning dominance and frequency. In the late stage of integration, however, the intended meaning of puns can be facilitated and accessed through its privilege of affordance derivation activated by pun words in a pun context because of the priming context and its underlying intention. The study has discovered empirically that it is the affordance derivation, which connects the context and the dual meanings indicated by the pun words, that contributes to the different time courses and dynamic underlying neurocognitive mechanisms in comprehending puns in Chinese.

Lightweight yet strong paper with high toughness is desirable especially for impact protection. Herein we demonstrated electrically conductive and mechanically robust paper (AP/PB-GP) made of reduced graphene oxide via interfacial crosslinking with 1-aminopyrene (AP) and 1-pyrenebutyrat (PB) small molecules. The AP/PB-GP with thickness of over ten micrometer delivers a record-high toughness (∼69.67 ± 15.3 MJ m−3 in average), simultaneously with superior strength (close to 1 GPa), allowing an impressive specific penetration energy absorption (∼0.17 MJ kg−1) at high impact velocities when used for ballistic impact protection. Detailed interfacial and structural analysis reveals that the reinforcement is synergistically determined by π-π interaction and H-bonding linkage between adjacent graphene lamellae. Especially, the defective pores within the graphene platelets benefit the favorable adsorption of the pyrene-containing molecules, which imperatively maximizes the interfacial binding, facilitating deflecting crack and plastic deformation under loading. Density functional theory simulation suggests that the coupling between the polar functional groups, e.g., −COOH, at the edges of graphene platelets and −NH2 and −COOH of AP/PB are critical to the formation of hydrogen bonding network.

2D-C/SiC composites have widely been used in aeronautical and aerospace engineering, but their mechanical behaviors under small-mass and high-speed impact have not been thoroughly studied yet. In this paper, 2D-C/SiC beam specimens were impacted by a single-stage light-gas gun and the fracture processes were captured by a high-speed camera. Post-impact internal and surface damage morphologies were scanned by a CT and a SEM, respectively. Similar damage modes were revealed by high-speed images. Subsequently, quasi-static post-impact tension tests were conducted to understand the residual mechanical properties. Acoustic emission (AE) signals of specimens were detected during the tests and then classified by the K-means algorithm. Therefore, evolutions of matrix damage, interfacial delamination and fiber fracture were recognized. At the same time, strain value was obtained by digital image correlation (DIC) method and main crack propagations were obvious in strain contours. A combination of the AE and DIC methods very well monitored the real-time damage during post-impact testing, which further revealed the damage during impact phase.

Annual mortality of endocrine and metabolic diseases (EMD) in a population reflects levels of economy-related lifestyles and medical care, both of which have changed substantially in China in the last hundred years. Linking these two factors with historical trends of EMD will enhance our understanding of the EMD epidemiology. Age-specific annual mortality rates of EMD from 1991 to 2016 were derived from the Health Statistics Yearbook of China and analyzed by rural and urban using age-period-cohort (APC) method. Intrinsic estimator was performed for parameter estimation. The data fit APC models well. After controlling the influence of age, the estimated period effect increased rapidly from 1991 to 2001 before it leveled off. The risk for urban area increased faster than for rural area before 2006. Contrarily, the estimated cohort effects across 100 years from 1911 to 2016 showed an overall declining trend. For urban area, the cohort effect declined progressively since the 1911–1915 birth cohort with small fluctuations, while the same effect for rural area increased slowly from the 1911–1915 cohort to the 1951–1956 cohort before it declined, intercepting twice with that of urban one at cohort 1941–45 and another at 1996–2000. Increases in EMD mortality in China since 1991 can be explained primarily by the period effect, reflecting unhealthy lifestyles adapted along with rapid economic growth. The 100-year declines in cohort effect and the rural-urban differences could be largely attributed to the overall progress and rural-urban inequity in medical and healthcare. Future public health planning and decision-making must emphasize these two factors.

Glyphosate is one of the most widely used herbicide with high efficiency, low toxicity and broad-spectrum. In recent decades, increasing evidence suggests that glyphosate may cause adverse health effects on human beings. However, until now, there is little data on the human metabolic changes. Since occupational workers are under greater health risks than ordinary people, the understanding regarding the health effects of glyphosate on occupational workers is very important for the early warning of potential damage. In this study, serum metabolic alterations in workers from three chemical factories were analyzed by gas chromatography-mass spectrometry (GC-MS) to assess the potential health risks caused by glyphosate at the molecular level. It was found that the levels of 27 metabolites changed significantly in the exposed group compared to the controls. The altered metabolic pathways, including amino acid metabolism, energy metabolism (glycolysis and TCA cycle) and glutathione metabolism (oxidative stress), etc., indicated a series of changes occur in health profile of the human body after glyphosate exposure, and the suboptimal health status of human may further evolve into various diseases, such as Parkinson's disease, renal and liver dysfunction, hepatocellular carcinoma, and colorectal cancer. Subsequently, 4 biomarkers (i.e., benzoic acid, 2-ketoisocaproic acid, alpha-ketoglutarate, and monoolein) were identified as potential biomarkers related to glyphosate exposure based on the partial correlation analyses, linear regression analyses, and FDR correction. Receiver-operating curve (ROC) analyses manifested that these potential biomarkers and their combinational pattern had good performance and potential clinical value to assess the potential health risk associated with glyphosate exposure while retaining high accuracy. Our findings provided new insights on mechanisms of health effects probably induced by glyphosate, and may be valuable for the health risk assessment of glyphosate exposure.

As a global public health problem, postmenopausal osteoporosis (PMOP) poses a great threat to old women's health. Bone is the target organ of PMOP, and the dynamic changes of bone marrow could affect the bone status. Kidney is the main organ regulating calcium and phosphorus homeostasis. Kidney, bone marrow and bone play crucial roles in PMOP, but the relationships of the three tissues in the disease have not been completely described. Here, metabolomics was employed to investigate the disease mechanism of PMOP from the perspectives of kidney, bone marrow and bone, and the relationships among the three tissues were also discussed. Six-month-old female Sprague-Dawley (SD) rats were randomly divided into ovariectomized (OVX) group (with bilateral ovariectomy) and sham group (with sham surgery). 13 weeks after surgery, gas chromatography-mass spectrometry (GC-MS) was performed to analyze the metabolic profiling of two groups. Multivariate statistical analysis revealed that the number of differential metabolites in kidney, bone marrow and bone between the two groups were 37, 16 and 17, respectively. The common differential metabolites of the three tissues were N-methyl-L-alanine. Kidney and bone marrow had common differential metabolites, including N-methyl-L-alanine, 2-hydroxybutyric acid, (R)-3-hydroxybutyric acid (β-hydroxybutyric acid, βHBA), urea and dodecanoic acid. There were three common differential metabolites between kidney and bone, including N-methyl-L-alanine, α-tocopherol and isofucostanol. The common differential metabolite of bone marrow and bone was N-methyl-L-alanine. Some common metabolic pathways were disturbed in multiple tissues of OVX rats, such as glycine, serine and threonine metabolism, purine metabolism, tryptophan metabolism, ubiquinone and other terpenoid-quinone biosynthesis and fatty acid biosynthesis. In conclusion, our study demonstrated that profound metabolic changes have taken place in the kidney, bone marrow and bone, involving common differential metabolites and metabolic pathways. The evaluation of differential metabolites strengthened the understanding of the kidney-bone axis and the metabolic relationships among the three tissues of OVX rats.

Er-Zhi-Wan (EZW), a classical traditional Chinese formulation, has attracted more and more attention. This study was carried out to analyze the constituents of EZW absorbed into blood and find out the potential active ingredients for treating osteoporosis (OP) with kidney-yin deficiency (KYD). The rat model of OP with KYD was achieved by ovariectomies and using the mixture of thyroxine and reserpine. Then ultra-high performance liquid chromatography coupled with a quadrupole time-of-flight mass spectrometer (UPLC-Q/TOF-MS) combined with statistical analysis was used to analyze the constituents of EZW absorbed into blood and differential components between the normal and OP with KYD rats. Finally, the components identified in OP with KYD rats were docked with targets of OP with KYD found in online databases. The results of molecular docking were adopted to find the potential active ingredients and further verified in vitro experiment. A total of 21 prototype compounds and 69 metabolites were identified in serum. Among them, 63 components in model rats and 50 components in normal rats were summarized, respectively. Most of the identified metabolites in serum of model rats were produced by hydrolysis, oxidation or glucuronidation, while in serum of normal rats were produced by hydrolysis, oxidation and methylation. According to the results of molecular docking, specnuezhenide, salidroside, tyrosol, echinacoside and verbascoside could be classified as potential active ingredients. The activity of salidroside and a metabolite was verified by pharmacodynamics analysis. In summary, UPLC-Q/TOF-MS system was combined with molecular docking to search the potential active ingredients from model rats of OP with KYD, which provided a new idea for the research on the pharmacodynamic material basis of other traditional medicine. Moreover, the result of this study lays the foundation for further study regarding the mechanism of EZW in treating OP with KYD.

Intracranial Hemorrhage, known as ICH, is a serious malady and is a major cause of stroke, disability, and death. Due to the malignant impact it would cause, it is essential to diagnose ICH in an efficient way. Meanwhile, the prevalence of artificial intelligence has caught people's attention and we considered that the diagnosis of ICH could be improved with the help of machine learning methods since these methods have succeeded in realms like speech recognition, visual object recognition, object detection etc. There have already been some computer aided diagnosis systems, based on machine learning methods, for helping the diagnosis of ICH, but most of them were used to classify the images and people seem to have ignored the importance of the quality of images. In this study, we applied a denoising method based on CNNs to improve the quality of ICH images based on CT. LeNet-5 and AlexNet were used due to their mighty ability to extract features. Autoencoder was used to reduce the dimensionality of the datasets to reduce the complexity of the data. Before denoising, we did some preprocessing in order to make our training faster by setting all images into a specific format. To test our model, three kinds of noise were added to the images, which were Salt&Pepper, Poisson and Gaussian. Lastly, we used Euclidean distance, which is the D-value of the pixel value between the original images and the processed ones, to measure the results of denoising images and determine their similarity to the original images. And the smaller the value, the better the effect. The results turned out that our denoising model is effective for all three kinds of noise, and the result of Salt&Pepper noise is the best.

In this study, a molecularly imprinted polymer photoelectrochemcal (MIP-PEC) sensor based on semiconducting organic polymer dots (Pdots) and inorganic CdS quantum dots (QDs) has been established for the determination of α-Solanine. Specifically, p-type Pdots (p-Pdots) and n-type CdS QDs (n-CdS) were utilized to form organic-inorganic nanoparticles p-n heterojunction to enhance signal response, and their specific energy levels (VB/CB or HOMO/LUMO) were calculated for photoelectrochemical (PEC) bioanalysis application. At the same time, the combination of molecular imprinting technology and photoelectrochemistry overcomes the defeats of photoelectrochemistry which is the absence of selectivity, offers a new MIP-PEC sensor with high sensitivity and excellent selectivity based heterojunction enhanced strategy. In short, this study proposes the semiconducting organic-inorganic nanoparticles p-n heterojunction for molecularly imprinted polymer photoelectrochemcal bioanalysis application, and the MIP-PEC sensor was successfully fabricated based on these materials and methods. In the phosphate buffer solution (PBS), it was clearly observed that the photocurrent has a significant change between elution in acetic acid-ethanol mixture and incubation in template molecular solution because of the faster electron transfer speed, this phenomenon fully showed that the MIP-PEC sensor can specifically detect the target. Thus, the work typically offers a linear range from 0.01 to 1000 ng mL−1 with a detection limit of 6.5 pg mL−1 for α-Solanine. Furthermore, the fabricated MIP-PEC sensor will confirm the actual application.

HIV-related stigma is the most common and serious social problem which people living with HIV/AIDS (PLWHA) have to face. However, the impact of HIV stigma on social capital is not yet clear. Therefore, this study aims to understand the relationship between HIV stigma and social capital, and explore the mechanism of how HIV stigma influences social capital among Chinese PLWHA on this basis. An institutional based cross-sectional study was conducted from Nov 2015 to Jan 2016 in Wuhan, China, using a self-reporting questionnaire. A total of 552 PLWHA participated, and 520 valid questionnaires were included. Multiple linear regression analysis showed that lower education level, lower monthly income, higher internalized stigma, and anticipated stigma were significantly associated with lower social capital. Results of path analysis showed that although perceived community stigma has no direct effect on social capital, but it can affect social capital through internalized stigma and anticipated stigma. In conclusion, increased HIV stigma and reduced social capital are frequent among PLWHA in China. Perceived community stigma may cause PLWHA to internalize stigma and anticipate stigmatizing experiences, resulting in the reduction of social capital. These findings suggest that perceived community stigma should become the target of stigma intervention strategy among Chinese PLWHA.

Summary The controlled generation of reactive oxygen species (ROS) to selectively epoxidize styrene is a grand challenge. Herein, cyano-group-modified carbon nitrides (CNCYx and CN-Ty) are prepared, and the catalysts show better performance in regulating ROS and producing styrene oxide than the cyano-free sample. The in situ diffuse reflectance infrared and density functional theory calculation results reveal that the cyano group acts as the adsorption and activation site of oxygen. X-ray photoelectron spectroscopy and NMR spectrum results confirm that the cyano group bonds with the intact heptazine ring. This unique structure could inhibit H2O2 and ⋅OH formation, resulting in high selectivity of styrene oxide. Furthermore, high catalytic activity is still achieved when the system scales up to 2.7 L with 100 g styrene under solar light irradiation. The strategy of cyano group modification gives a new insight into regulating spatial configuration for tuning the utilization of oxygen-active species and shows potential applications in industry., Graphical Abstract, Public summary • Surface group modification is a significant strategy to improve catalyst activity • Cyano groups are incorporated on the surface of carbon nitride via copolymerization • Cyano group reactive sites allow high selectivity of styrene oxide for aerobic oxidation • The system can be scaled up under solar light irradiation

The complexity of ingredients in traditional Chinese medicine (TCM) makes it challenging to clarify its efficacy in an acceptable and scientific approach. The present study was aimed to use quantification results from targeted cellular metabolomics to evaluate anti-aging efficacy of a famous Chinese medicine formula, Erzhi Wan (EZW), and screen possible effective extracts, depending on the developed strategy integrating multivariate receiver operating characteristic (ROC) curve and analytic hierarchy process (AHP). In this study, senescent NRK cells induced by D-galactose were treated with drug-containing serum of EZW and four kinds of extracts (petroleum ether, ethyl acetate, butanol and water). Intermediates of two major metabolic pathways for energy synthesis, tricarboxylic acid (TCA) cycle and glycolysis, were accurately quantified by GC-MS/MS to identify discriminate metabolites for clarifying therapeutic mechanism of EZW based on multivariate statistical analysis. Senescent and non-senescent cells were successfully distinguished using these metabolites by ROC curve analysis. Next, these metabolites were used as evaluation indexes to quantitatively reflect different effect of EZW and its extracts, according to the role of them in distinguishing groups and in conjunction with AHP. In vitro detection of senescence-associated β-galactosidase (SA-β-gal) activity was used to verify the reliability of evaluation results. The reversal after treatment of drug-containing serum of EZW and extracts was observed, and the petroleum ether extract might be the potential active extract responsible for the major anti-aging effect of EZW, which was in agreement with in vitro experiments. Altogether, metabolomics was a powerful approach for evaluation efficacy and elucidation action mechanisms of TCM. The integrated evaluation strategy in this paper with properties of high practicality, feasibility and effectivity was expected to provide a new insight into comprehensive and quantitative efficacy evaluation.

Background: Albeit two months passed since the first case of unexplained pneumonia reported officially, the numbers of infected or died patients with COVID-19 (AU - Ji, Mengyao;Yuan, Lei;Shen, Wei;Lv, Junwei;Li, Yong;Chen, Jia;Liu, Bo;Liang, Zhenzhen;Lin, Qiang;Xie, Wenjie;Li, Ming;Chen, Zhifan;Lu, Xuefang;Ding, Yijuan;An, Ping;Zhu, Sheng;Gao, Mengting;Ni, Hao;Hu, Lanhua;Shi, Guanglei;Dong, Weiguo;Shi, Lei

With the expanding use of immune checkpoint inhibitors (ICIs) in gastrointestinal (GI) cancer, the occurrence of acquired resistance (AR) has gradually emerged. However, the progression patterns and survival of patients with AR to ICIs are still unknown.To explore the characteristics and prognosis of AR after ICI therapy in patients with advanced GI cancer.This cohort study screened patients with advanced GI cancer treated with ICIs between January 14, 2016, and December 31, 2020, at Peking University Cancer Hospital. Initial response was defined as complete response, partial response, or stable disease longer than 6 months as assessed by Response Evaluation Criteria in Solid Tumors version 1.1. Progression was also based on Response Evaluation Criteria in Solid Tumors version 1.1. Progression or death after the initial response was defined as AR. Oligoprogression of AR was defined as 2 or more disease sites progression. The current status of AR in GI cancer and the patterns of AR and its prognosis were evaluated. The site of AR and subsequent management were also assessed. Data were analyzed from June to August 2021.Patients in the cohort were treated with mono-ICI or combination therapy.Kaplan-Meier analyses and log-rank tests were conducted for overall survival analyses. Univariate and multivariate Cox analyses were conducted to determine the prognostic implications of each variable.Of the 1124 patients who received ICIs, 373 (33.2%) patients (282 men [75.6%]; median [IQR] age, 62 [54-68] years) achieved an initial response, and 173 (46.4%) patients (137 men [79.2%]; median [IQR] age, 61 [54-67] years) developed AR. Almost all patients (167 patients [96.5%]) developed AR within 24.0 months. Progression patterns of AR were most commonly oligoprogression (122 patients [70.5%]) rather than polymetastatic progression (38 patients [22.0%]) and were associated with a good prognosis (38.5 vs 14.0 months; hazard ratio, 0.37; 95% CI, 0.18-0.74; P .001). Lymph nodes (101 patients [58.4%]) appeared to be the most common site of AR. Management after AR was mainly systemic therapy (96 patients [55.5%]).Oligoprogression was the most common pattern of AR progression, and lymph nodes were the most susceptible site for AR. Further study will be needed to determine the most favorable management for AR.

Photoelectric performance of (C, S) co-doped SnO2 was explored by an integrated strategy combining first principle calculation with experimental measurement. The exploration began with theoretical calculation upon geometry characteristic and electronic structure of pure and (C, S) co-doped SnO2, then follow by experimental measurement. Namely, pure and different ratios of (C, S) co-doped SnO2 were prepared and characterized by X-ray powder diffraction (XRD), scanning electron microscope (SEM), and X-ray photoelectron spectroscopy (XPS). And photoelectric performance of the prepared pure and (C, S) co-doped SnO2 electrodes was studied. Theoretical calculation result indicate that carbon and sulfur atom interact intensely to each other by lattice distortion. Fully filled energy levels are introduced to the top of the valence band, resulting effective reduction of band gap value and suppression of charged defects. Consequently, the photoelectric performance of SnO2 is improved. Double-hole-assisted coupling mechanism of dopants in SnO2 is interpreted to reveal the interaction of C and S. Besides, experimental results indicate that all samples are rutile phase with the dopants carbon and sulfur entered into SnO2 crystal by substituting oxygen. 5% co-doped sample shows the most homogeneous spherical shape and dispersed character, which is provided with the maximum photocurrent value (6.8 μA/cm2) and minimum electrochemical impedance. Theoretical calculation and experiment jointly indicate that (C, S) co-doped SnO2 possess superior photoelectric performance. The doping method of double-hole-assisted coupling may contribute to the design of highly active tin oxide-based photoelectric materials, and also pave the way for modification of other congener materials.

Background: Rapid socioeconomic changes in China present a mental health challenge and also an opportunity to investigate the relationship between social capital and depression. Materials and methods: Participants (18–45 years old, N = 1,250) were selected using a probability sampling method. The relationship between social capital (measured using the Personal Social Capital Scale) and depression (measured using the Brief Symptom Inventory Depression Subscale) was examined using bivariate analysis, followed by multiple regression to control for covariates. Results: Of the total sample, 54.64% were female with mean age = 35.1 (standard deviation ( SD) = 7.5) years old. Depression score was 10.40 ( SD = 3.62) for males and 10.36 ( SD) = 3.30) for females. The social capital measures (including the total, bonding and bridging) were all negatively associated with depression scores, while the negative social capital was positively associated, after controlling for covariates. Subgroup analysis revealed some differences in the social capital–depression associations. Conclusion: The protective effect of social capital for mental health reported in other countries is also evident in this study. In addition, we found a positive association between negative social capital and depression. In addition to adding new knowledge, findings of this study, if verified with longitudinal design, can be used to support social and behavioral interventions in China to promote mental health by social capital enhancement.

The electronic structure of Sb-N co-doped SnO2 was explored by first principles calculation. The results show that Sb (donor) and N (acceptor) introduce new energy levels in the band gap, which reduce the band gap of SnO2 obviously. Besides, the carrier separation rate of the system is improved owing to the charge compensation effect of Sb and N. Consequently, the photoelectric performance of SnO2 is improved. Based on the results of theoretical calculation, the intrinsic and different ratios of Sb-N co-doped SnO2 were prepared by hydrothermal method. And the samples were characterized by X-ray powder diffraction (XRD), scanning electron microscope (SEM), and x-ray photoelectron spectroscopy (XPS). The photoelectric performance of the prepared intrinsic and Sb-N co-doped SnO2 electrodes was studied. The results prove that all samples are rutile phase with the dopants Sb and N entered into SnO2 lattice by substituting Sn and O. Besides, the 5% co-doped sample has uniform spherical shape and dispersed character. The photoelectric performance tests indicate that photoelectric performance of SnO2 is enhanced by Sb-N co-doping. The maximum photocurrent value (9 μA/cm2) and minimum electrochemical impedance is achieved at the doping ratio of 5%. Theoretical calculation and experiment results indicate that Sb-N co-doped SnO2 possesses superior photoelectric performance.

The electronic structures and conducting mechanism of (Mg, S) co-doped rutile SnO2 were explored through density functional theory (DFT) calculation. Results showed that the acceptor metal Mg assisted the coupling of the incorporated S with a neighbouring O in SnO2, which introduced new energy levels into the forbidden band of SnO2 and thereby improved the photoelectric performance of SnO2. Based on this result, we proposed an integrated strategy that combines DFT calculations with experiments to study the photoelectric performance of (Mg, S) co-doped SnO2 prepared through hydrothermal method. Conducting glass (FTO) was used for the preparation of (Mg, S) co-doped SnO2 electrode. Scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy and ultraviolet–visible diffuse reflectance spectroscopy results confirmed the incorporation of Mg and S elements into the SnO2 cell. Furthermore, photoelectric performance tests revealed that (Mg, S) co-doping can improve photoelectric performance. The maximum photocurrent (0.50 μA/cm2) and smallest impedance were obtained at a co-doping ratio of 5%. Therefore, the (Mg, S) co-doped SnO2 is a strong candidate for photoelectrocatalysis.

A novel copper (Cu) and sulfur (S) co-doped SnO2 material prepared by a facile hydrothermal method is demonstrated as an efficient electrocatalyst for the reduction of CO2 to formate. The as-prepared SC10 holds rutile structure, whereas both Cu and S are doped well into the SnO2, in which S2− and Cu2+ replace O2− and Sn4+, respectively. The overpotential observed in CO2-saturated 0.5 M NaHCO3 solution is as low as 130 mV (vs. RHE) at −0.75 V (vs. Ag/AgCl) and the maximum current density also increases to 5.5 mA cm−2 at −1.2 V, which is 7-times higher than pure SnO2. The catalyst is stable for more than 33 h and the Faradic efficiency of formate is 58.5 %. The as-synthesized catalyst will open up a novel route for efficient reduction to formate and has a great potential for relieving the greenhouse effect.

Post-traumatic Stress Disorder (PTSD) is frequent among people living with HIV/AIDS (PLWHA). Few studies have investigated social-psychological predictors of PTSD in China. This study aimed to examine relationships between social capital, stigma, resilience and PTSD among PLWHA in China, and to provide effective suggestions for PTSD intervention. A cross-sectional study of 520 PLWHA was conducted from November 2015 to January 2016. Survey data were collected using anonymous self-reported questionnaire. Multivariable analyses were used to examine related factors of PTSD, and causal mediation analyses were conducted to assess whether stigma and resilience were mediators. Results indicated that higher risk of PTSD was independent associated with stronger stigma, decreasing social capital and lower resilience. There was an indirect relationship of social capital on PTSD mediated through resilience and HIV-related stigma. Therefore, PTSD intervention programs should not only pay attention to the role of social capital on PTSD, but also attach importance to stigma and resilience on PTSD symptoms.

Ruthenium shows unique catalytic properties in selective hydrodeoxygenation of lignin-derived phenols to alkyl cyclohexanols, but seldom exploration has been devoted to the mechanism of phenol hydrogenation on Ru. Herein, the mechanism of phenol hydrogenation to cyclohexanol on Ru is explored combining experiments and density functional theory (DFT) calculations. The experimental results show that the selectivity to cyclohexanol is higher than cyclohexanone over 3% Ru-SiO2 when the conversion is higher than 25%. Mechanistic study by DFT shows that after forming cyclohexenol as an intermediate, the hydrogenation can proceed along both the classical tautomerization pathway and direct hydrogenation pathway, with tautomerization pathway being the dominant one. Further, the hydrogenation pathways producing cyclohexanol without the generation of cyclohexenol could also run parallel to the two pathways through it. These pathways together lead to the high selectivity to cyclohexanol on Ru catalyst. The refreshed hydrogenation pathway can contribute to a new insight into the mechanism of phenol hydrogenation on Ru based catalyst.

In this study, theoretical calculations and experiments have been carried out to investigate the photoelectric performance of (2Al, S) co-doped rutile SnO2. The electronic structures are studied by density functional theory (DFT). It is found that the metal Al can assist the bonding of the incorporated S with the neighboring O in SnO2, introducing new energy levels in the forbidden band of SnO2, which enhance the photoelectric performance. Meanwhile, the experiments are conducted to verify this. The (2Al, S) co-doped SnO2 with different doping ratios are prepared by a hydrothermal method. The samples are characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Results show that all the samples have rutile structure without any extra phase, and the dopant S2− ion was implanted into the crystalline lattice of (2Al, S) co-doped SnO2 and Al dopants replaced Sn atoms. The photoelectric performance tests show Al and S co-doping can improve the photoelectric performance, especially with a doping ratio of 5%, when the photocurrent reaches maximum of 3.0 μA cm−2 which is almost twice as much as pure SnO2, and the impedance is the smallest. The experiments results are consistent with our theoretical calculations. These findings are expected to be helpful for the design of highly active tin oxide-based photoelectric materials.

The electronic and interfacial properties of catalysts play vital roles in tailoring catalytic performance. Here, we report that the modification of polymeric carbon nitride (PCN) with cyano group ( CN) can achieve excellent catalytic performance in mineralization of phenol. The CN site not only enhances the adsorption and activation of molecular O2 for efficient H2O2 production, but also improves the absorption capability of PCN for phenol in aqueous solution by tuning surface charge states. Subsequently, the surficial adsorbed phenol acts as holes scavenger which promotes the separation efficiency of photogenerated carriers in PCN and in turn facilitates the in-situ decomposition of H2O2 to OH. This reduces the uncontrollable decomposition of H2O2 to OH and inhibits the polymerization of phenolic compounds. The active sites of catalyst, O2 transformation state and pathway on the catalyst surface as well as the firstly attacked sites of phenol are confirmed respectively by in-situ DRIFT spectra, scavengers and Bader charge analysis.

Coordinated Ru species, Ru/LDH, were applied to the reduction of carbonyl compounds via blue light irradiation under mild (45 °C, atmospheric argon pressure), ligand-free, and additive-free conditions. LDH can act as an efficient base catalyst to assist in formation of isopropoxide, requiring no additional base, because basic OH groups form an ordered distribution on LDH surface. The coordinated Ru species containing one OH and three oxygen atoms ligands deriving from the OH groups of LDH are a crucial component, for securing the active electron-deficient Ru species that favours formation of Ru-isopropoxide. The photocatalytic activity is related to the adsorption capacity of isopropyl alcohol near the electron-deficient Ru species and the formation of Ru-isopropoxide. The strong-metal-support interactions between Ru and LDH affect the coordination and the electronic surroundings of the Ru centres and have a significant effect on the photocatalytic activity.