Theoretical analysis of naproxen reaction with sulfate and hydroxyl radicals in the aqueous phase: Investigating reactive sites and reaction kinetics.

In this study, we have utilized theoretical calculations to predict the reaction active sites of naproxen when reacting with radicals and to further study the thermodynamics and kinetics of the reactions with ·OH and SO4-·. The evidence, derived from the average local ionization energy and electrostatic potential, points to the naphthalene ring as the preferred site of attack, especially for the C2, C6, C9, and C10 sites. The changes in Gibbs free energy and enthalpy of the reactions initiated by ·OH and SO4-· ranged between -19.6 kcal/mol - 26.3 kcal/mol and -22.3 kcal/mol -18.5 kcal/mol, respectively. More in-depth investigation revealed that RA2 pathway for ·OH exhibited the lowest free energy of activation, suggesting this reaction is more inclined to proceed. The second-order rate constant results indicate the ·OH attacking reaction is faster than reactions initiated by SO4·-, yet controlled by diffusion. The consistency between theoretical findings and experimental data underscores the validity of this computational method for our study.

Autophagy in erectile dysfunction: focusing on apoptosis and fibrosis.

In most types of erectile dysfunction, particularly in advanced stages, typical pathological features observed are reduced parenchymal cells coupled with increased tissue fibrosis. However, the current treatment methods have shown limited success in reversing these pathologic changes. Recent research has revealed that changes in autophagy levels, along with alterations in apoptosis and fibrosis-related proteins, are linked to the progression of erectile dysfunction, suggesting a significant association. Autophagy, known to significantly affect cell fate and tissue fibrosis, is currently being explored as a potential treatment modality for erectile dysfunction. However, these present studies are still in their nascent stage, and there are limited experimental data available. This review analyzes erectile dysfunction from a pathological perspective. It provides an in-depth overview of how autophagy is involved in the apoptotic processes of smooth muscle and endothelial cells and its role in the fibrotic processes occurring in the cavernosum. This study aimed to develop a theoretical framework for the potential effectiveness of autophagy in preventing and treating erectile dysfunction, thus encouraging further investigation among researchers in this area.

Phthalates in plastic bottled non-alcoholic beverages from China and estimated dietary exposure in adults.

Concentrations of six phthalates were determined in 69 plastic bottled non-alcoholic beverages collected from marketplaces in China. Di-n-butyl phthalate (DBP) and di-(2-ethylhexyl)-phthalate (DEHP) were the most detected compounds with frequencies of 100%. Dimethyl phthalate was found less, with a mean frequency of almost 34%. The samples were divided into seven groups. The frequencies of phthalates in these groups ranged from 6.67% to 100%, which indicated that different types of beverages were differently contaminated by phthalates. DEHP contained the highest mean and median concentrations (1.60 ng g-1 and 0.62 ng g-1), followed by DBP (1.34 ng g-1 and 0.27 ng g-1). For DBP, the highest phthalate concentration of 14.3 ng g-1 was measured. The results of estimated daily intake (EDI) showed that the risk of Chinese adults exposed to these 6 phthalates in beverages examined was lower than the reference doses as suggested by the United States Environmental Protection Agency. The range of EDI values was between 1.77 × 10-4 µg kg-bw-1 day-1 and 0.478 µg kg-bw-1 day-1.

Reaction of antibiotic sulfadiazine with manganese dioxide in aqueous phase: Kinetics, pathways and toxicity assessment.

Sulfonamide antibiotics are often detected in terrestrial and aquatic environment, but little is known about abiotic degradation of these antibiotics. In the present study, the degradation of the sulfonamide antibiotic sulfadiazine by a synthesized δ-MnO2 was investigated. The initial reaction rate of sulfadiazine oxidized by manganese dioxide increased as the solution pH decreased by weakening electrostatic attraction between sulfadiazine and MnO2 and enhancing the reduction potential of MnO2. The presence of metal ions (Mn2+, Na+ and Ca2+), especially Mn2+, decreased the initial reaction rate by competitively adsorbing and reacting with MnO2. Two different products were identified during the reaction of sulfadiazine with MnO2 and the transformation of parent compound started with the formation of sulfadiazine radicals. Furthermore, toxicity assay results showed that the toxicity of products produced by bacteria decreased with elapse of reaction time. Results from the present study indicate that manganese dioxides in environmental matrix could be helpful in dissipation of sulfadiazine released into the environment.

[Clinical analysis of 192 pregnant women infected by syphilis].

OBJECTIVE: To investigate the clinical characteristics of pregnant women with syphilis, their pregnant outcomes, perinatal and neonatal prognosis and the incidence of congenital syphilis. METHODS: One hundred and ninety-two pregnant women with syphilis by serological assays were divided into two groups, group A (n = 93): treated with a full course anti-syphilis therapy and group B (n = 99): untreated group. Meanwhile, they were divided into groups C and D according to maternal serum rapid plasma reagin (RPR) test: RPR titer < or = 1:8 (group C) and RPR titer > or = 1:16 (group D). The pregnant outcomes and congenital syphilis were compared between two groups. RESULTS: (1) Perinatal outcomes: Term delivery reached 93.6% (87/93) in group A and only 28.3% (28/99) in group B; the rate of premature birth and fetal intrauterine death were 5.4% (5/93) and 1.1% (1/93) in group A, obviously lower than 28.3% (28/99) and 32.3% (32/99) in group B (P < 0.005). No fetal intrauterine death and abortion occurred in the group A. Prognosis of neonates: Normal neonates were 63.0% (58/92) in group A, and only 23.2% (13/56) in group B; the rates of asphyxia neonates, low birth weight, congenital syphilis and neonatal death in group A were significantly lower than those in group B (P < 0.01). (2) The comparison between groups C and D: Term delivery rate in group C (78.1%, 89/114) was higher than that in group D (36.1%, 26/72); the rates of premature birth, congenital syphilis, perinatal death and neonatal death in group C were lower than those in group D (P < 0.01). (3) Gestational week and drug treatment: The earlier the treatment started during pregnancy, the lower the rate of congenital syphilis was (P < 0.01). The incidences of congenital syphilis were similar between penicillin and dibenzyl penicillin groups (P < 0.05). CONCLUSIONS: (1) Effective full-course anti-syphilis therapy is the key to improving the outcomes of pregnancy with syphilis, prognosis of neonates and reducing incidence of congenital syphilis. (2) Maternal serum RPR titer, the starting time of anti-syphilis treatment as well as the choice of therapeutical drugs are important influence factors on the outcomes of pregnancy with syphilis.