Density Functional Theory Study on the Mechanism of Biochar Gasification in CO2 Environment

This work presents a comprehensive analysis on the CO2 gasification of miscanthus derived biochar by using combined experimental and computational methods. The empirical formula and the 2D molecular model of the biochar were proposed based on the results from elemental analysis, Fourier infrared spectroscopy, and solid-state 13C NMR spectroscopy. The density functional theory (DFT) method was used to study the conversion of biochar to gaseous products under the CO2 condition at the B3LYP/6-31G(d,p) level. The reactants, intermediates, transition states, and products during the CO2 gasification process were analyzed, and the activation energy (ΔE) of each reaction step and thermodynamic parameters (Gibbs free energy, ΔG, and enthalpy, ΔH) were obtained. By comparison of the kinetic and thermodynamic parameters of different reaction paths, it was found that the proposed path 1 and path 5 could occur spontaneously with the changes in Gibbs free energy (ΔG) being -182.6 and -170.6 kJ/mol, respectively. The order of the reaction path was path 1 < path 5 < path 3 < path 4 < path 2, in terms of the degree of difficulty. It was also found that, for the benzene ring having a ring-opening reaction, when the substituents were located in the 2 and 3 carbon atoms or the 2, 3, and 5 carbon atoms, the C-C bond between the 1 and 6 carbon atoms was more prone to homolytic reaction than that between the 1 and 2 carbon atoms

Health-Related Quality of Life and Its Determinants among Criminal Police Officers

Criminal police officers are viewed as having a very tiring and stressful job, one that is closely correlated with work disability and other factors that might impair quality of life. Few studies have addressed the issue of health-related quality of life (HRQoL) in this population. Thus, this study aimed to assess the HRQoL of criminal police officers compared with the general adult population and identify determinants associated with HRQoL. Based on a cross-sectional study of 281 criminal police officers in China, we used the EuroQol five-dimension three-level (EQ-5D-3L) scale, the Self-Rating Anxiety Scale (SAS), and the Self-Rating Depression Scale (SDS) to collect data. Tobit regression models and logistic regression models were used to investigate factors associated with HRQoL. The average EQ-5D-3L index score and EQ-5D visual analogue set (EQ-5D VAS) score were 0.919 and 77.22, respectively (total comparable population 0.958 and 80.12, respectively). Anxiety/depression and pain/discomfort were the most frequently-reported problems. Lower HRQoL was associated with age, drinking alcohol, physical activity, injury on duty, and symptoms of anxiety or depression. These findings indicated that criminal police officers have poorer quality of life than the general adult population and that risk-oriented interventions should be implemented to improve the HRQoL of criminal police officers

Relationships of SLC2A4, RBP4, PCK1, and PI3K Gene Polymorphisms with Gestational Diabetes Mellitus in a Chinese Population

Background. Solute carrier family 2 member 4- (SLC2A4-) retinol binding protein-4- (RBP4-) phosphoenolpyruvate carboxykinase 1 (PCK1)/phosphoinositide 3-kinase (PI3K) is an adipocyte derived “signalling pathway” that may contribute to the pathogenesis of type 2 diabetes mellitus (T2DM). We explored whether single nucleotide polymorphisms (SNPs) of these “signalling pathway” genes are associated with gestational diabetes mellitus (GDM). Methods. Case-control studies were conducted to compare GDM and control groups. A total of 334 cases and 367 controls were recruited. Seventeen candidate SNPs of the pathway were selected. Chi-square tests, logistic regression, and linear regression were used to estimate the relationships of SNPs with GDM risk and oral glucose tolerance test (OGTT), fasting insulin, and homeostasis model assessment of insulin resistance (HOMA-IR) levels. Model-based multifactor dimensionality reduction was used to estimate the adjusted interactions between genes. Regression and interaction analyses were adjusted by maternal age, prepregnancy BMI, and weekly BMI growth. The Bonferroni correction was applied for multiple comparisons. Results. RBP4 rs7091052 was significantly associated with GDM risk. SLC2A4 rs5435, RBP4 rs7091052, PCK1 rs1042531 and rs2236745, and PIK3R1 (coding gene of the PI3K P85 subunit) rs34309 were associated with OGTT, fasting insulin, and HOMA-IR levels in the linear regression analysis. The gene-gene interaction analysis showed that, compared with pregnant women with other genotype combinations, women with SLC2A4 rs5435 (CC/CT), RBP4 rs7091052 (CC), PCK1 rs1042531 (TT/TG) and rs2236745 (TT), and PIK3R1 rs34309 (AA) had lower GDM risk. Conclusion. SLC2A4, RBP4, PCK1, and PIK3R1 genes may be involved in the pathogenesis of GDM

Dual Functionalized Interstitial N Atoms in Co3Mo3N Enabling CO2 Activation

The introduction of light elements into the interstitial sites of metals can significantly modify their surface structure and electronic properties and thus enhance the catalytic performance. However, it is still unclear how the interstitial light elements promote the catalytic activity. Herein, N atoms are incorporated into the bimetallic CoMo system to synthesize Co3Mo3N as an efficient catalyst for reverse water-gas shift (RWGS) reaction. Compared to CoMo, Co3Mo3N significantly promotes the catalytic performance, where the removal of O-containing intermediates is identified as the rate-determining step. The enhanced activity is attributed to the dual functions of interstitial N atoms in Co3Mo3N, which provide additional sites for supplying H atoms to facilitate the hydrogenation of O-containing intermediates and accept electrons from Mo to weaken the binding ability of Mo to O-containing intermediates. These dual functionalized interstitial N atoms promote the redox cycle during the RWGS process and thus improve the catalytic performance. Our work provides an understanding of the interstitial light element-promoted catalytic performance relationship

Effect of antiviral therapy on the survival and incidence of major complications in HBV-associated cirrhotic patients after splenectomy for hypersplenism and portal hypertension

BACKGROUND: Splenectomy remains a common approach for the management of hypersplenism and portal hypertension in hepatitis B virus (HBV)-associated cirrhotic patients in China and some other Asian countries. The effects of antiviral therapy on the survival and occurrence of complications in asplenic HBV-associated cirrhotic patients are unknown. This study analyzed the effect of antiviral therapy on survival and occurrence of major complications in HBV-associated cirrhotic patients after splenectomy for hypersplenism and portal hypertension. RESULTS: Of the 57 eligible patients for analysis, 28 patients received nucleos(t)ide analogs (treatment group) for antiviral treatment after splenectomy, while 29 patients received no antiviral treatment (control group). After a median of 3 years and 9 months, the overall survival and complication-free survival in the treatment group were higher though not statistically significant than those in the control group. Multivariate analysis showed that antiviral treatment was associated with increased but not statistically significant overall survival (hazard ratio (HR): 2.272, 95% confidence interval (CI): 0.952–5.424, P = 0.064) and the antiviral treatment was significantly associated with increased complication-free survival of the patients (HR: 7.229, 95% CI: 1.271–41.117, P = 0.026). The complication-free survival in patients aged ≤ 40 years was higher than that in patients aged > 40 years in the antiviral treatment patients (P = 0.020). CONCLUSIONS: Antiviral therapy initiating after splenectomy may reduce the incidence of complications and tend to improve the survival in asplenic HBV-associated cirrhotic patients, especially in younger patients, supporting the use of antiviral therapy in these patients after splenectomy

Effect of antiviral therapy on the survival and incidence of major complications in HBV-associated cirrhotic patients after splenectomy for hypersplenism and portal hypertension

Abstract Background Splenectomy remains a common approach for the management of hypersplenism and portal hypertension in hepatitis B virus (HBV)-associated cirrhotic patients in China and some other Asian countries. The effects of antiviral therapy on the survival and occurrence of complications in asplenic HBV-associated cirrhotic patients are unknown. This study analyzed the effect of antiviral therapy on survival and occurrence of major complications in HBV-associated cirrhotic patients after splenectomy for hypersplenism and portal hypertension. Results Of the 57 eligible patients for analysis, 28 patients received nucleos(t)ide analogs (treatment group) for antiviral treatment after splenectomy, while 29 patients received no antiviral treatment (control group). After a median of 3 years and 9 months, the overall survival and complication-free survival in the treatment group were higher though not statistically significant than those in the control group. Multivariate analysis showed that antiviral treatment was associated with increased but not statistically significant overall survival (hazard ratio (HR): 2.272, 95% confidence interval (CI): 0.952–5.424, P = 0.064) and the antiviral treatment was significantly associated with increased complication-free survival of the patients (HR: 7.229, 95% CI: 1.271–41.117, P = 0.026). The complication-free survival in patients aged ≤ 40 years was higher than that in patients aged > 40 years in the antiviral treatment patients (P = 0.020). Conclusions Antiviral therapy initiating after splenectomy may reduce the incidence of complications and tend to improve the survival in asplenic HBV-associated cirrhotic patients, especially in younger patients, supporting the use of antiviral therapy in these patients after splenectomy.</p