This study aims to investigate the distribution and ecological risk assessment of microplastics (MPs) in peatland areas located in Long An province, Vietnam's Mekong delta. In general, polyvinyl chloride (60.7%), ...
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Electronic structure theory provides a foundation for understanding chemical transformations and processes in complex chemical environments11. Our work is focused on the NWChemEx project that has selected two interrel...
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Electronic structure theory provides a foundation for understanding chemical transformations and processes in complex chemical environments11. Our work is focused on the NWChemEx project that has selected two interrelatedscience challenges that address the production of advanced biomass-derived fuels and other value-added chemical compounds2. One of which is the dehydration of 2-propanol over a zeolite catalyst. Aqueous ph.se dehydration of 2-propanol was investigated using density functional theory (dFT) calculations. We considered and analyzed the thermochemistry of the dehydration of 2-propanol using NWChem calculations while the NWChemEx code is still under development. Realistically modeling the reaction in this study properly requires simulations using extended atomistic models. We validated our computational models by comparing the predicted outcomes for 2-propanol dehydration with the calculated results from 1-propanol dehydration studies.3 We used the first-principles dFT calculations to investigate aqueous ph.se dehydration of 2-propanol, examine the enthalpy of the 2-propanol reaction and computed the energy for geometry optimization for increasingly better basis sets: cc-pVdZ, cc-pVTZ, cc-pVQZ, cc-pV5Z, and cc-pV6Z4. The various transition states and minima along the reaction pathway are critical to inform the NWChemEx science challenge calculations. In this work, we established how the accuracy of the calculations depends on the basis sets, and we determined what basis sets are needed to achieve sufficient accurate results. We also calculated the reaction free energy as a function of temperature as thermodynamic parameter. We found that at low temperature the reaction is thermodynamically unfavorable. Nevertheless, dehydrating 2-propanol increases entropy, underscoring the need for high temperatures to facilitate the reaction. We have also started to investigate the reaction mechanism at the active site of the Zeolite H-ZSM-5 and how detailed electroni
Purpose: This study aims to determine the effects of perioperative dexmedetomidine infusion (PdI) on Asian patients undergoing bariatric–metabolic surgery (BMS), focusing on the need for pain medications and manageme...
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Purpose: This study aims to determine the effects of perioperative dexmedetomidine infusion (PdI) on Asian patients undergoing bariatric–metabolic surgery (BMS), focusing on the need for pain medications and management of postoperative nausea and vomiting (PONV), and to investigate the association with these variables, including patients’ characteristics and BMS data. Materials and Methods: A retrospective review of prospectively collecteddata was conducted in an Asian weight management center from August 2016 to October 2021. A total of 147 native patients with severe obesity were enrolled. All patients were informed of the full support of perioperative pain medications for BMS. The pain numeric rating scale scores, events of PONV, needs for pain medications, and the associated patients’ characteristics were analyzed. A p-value of < 0.05 was considered statistically significant. Furthermore, to verify the effects of perioperative usage of dexmedetomidine for BMS, a systematic review with meta-analysis of currently available randomized control trials was performed. Results: Among the 147 enrolled patients, 107 underwent laparoscopic sleeve gastrectomy and 40 underwent laparoscopic Roux-en-Y gastric bypass. PdI has been used as an adjunct multimodal analgesia for BMS in our institution since June 2017 (group d;n = 114). In comparison with those not administered with perioperative dexmedetomidine (group C;n = 33), lower pain numeric rating scale scores (2.52 ± 2.46 vs. 4.27 ± 2.95, p = 0.007) in the postanesthesia care unit, fewer PONV (32.46% vs. 51.52%;p = 0.046), and infrequent needs of additional pain medications (19.47% vs. 45.45%;p = 0.003) were observed in group d. Multivariable analysis demonstrated that type II diabetes mellitus was correlated with the decreased need of pain medications other than PdI (p = 0.035). Moreover, dexmedetomidine seemed to have a better analgesic effect for patients with longer surgical time based on our meta-analysis. Conclusion:
The Z-scheme heterojunction design can not only minimize ph.togenerated electron-hole pair recombination but also ensure strong redox abilities for driving ph.tocatalytic reactions. Hence, novel P-g-C3N4/α-Bi2O3 bina...
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Nitroimidazole-baseddrugs are widely used as an antibiotic for the treatment of anaerobic bacterial and parasite illnesses. The widespread use of these drugs in animal feed and the consequent environmental pollution ...
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The development of modern health systems has generated a large amount of medical data. Recent research has shown that data mining technology can discover potential patterns from a vast array of medical data, providing...
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Metal oxide heterojunctions have attracted considerable attention in ph.tocatalyst and supercapacitor applications. In this study, NiMn2O4/CoMn2O4 (NMO/CMO) heterojunctions were synthesized using ternary metal-organic...
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The ubiquitous and refractory benzoph.none (BP)-type ultraviolet filters, which are also endocrine disruptors, were commonly detected in the aquatic matrix and could not be efficiently removed by conventional wastewat...
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A new approach to treating vascular blockages has been developed to overcome the limitations of current thrombolytic therapies. This approach involves biosafety and multimodal plasma-derived theranostic platelet vesic...
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