DESALINATION
·
2021
·
IF 9.501
Wenwei Zhong,Yingnan Zhao,Shunquan Chen,Jialun Zhong,LiWei Guo,Dongyang Zheng,Chun Xie,Chao Ji,Yi Guo,Guangxi Dong,Fengyuan Zhang,Alicia An,Shaoping Li,Sheng Li
TCM wastewater treatment is a significant environmental issue in China. This study investigated the effectiveness of the UF-MD hybrid system on recycling valuable resources in TCM wastewater. Synthetic TCM wastewater was prepared and separated with the self-assemble UF-MD hybrid system. Moreover, the feed temperature (45 °C, 55 °C, 65 °C) and membrane materials' influence on MD performance were also evaluated. Results show that the UF-MD hybrid system is efficient to achieve a complete separation and resources recycle from the TCM wastewater. The MD flux production increased with the increment of feed temperature. However, some bioactive compounds could not be concentrated in MD due to their potential degradation at high temperatures, and membrane wetting might be an issue in long-term operation. Although PP membranes exhibited the highest flux among PP , PTFE and PVDF membranes, considering the wetting and fouling resistance , PTFE membranes would be a better option for long-term MD operation at 65 °C.
研究领域:
环境科学
·
生物工程
·
中医药学
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产品关联
DOI
高影响因子
CEMENT AND CONCRETE RESEARCH
·
2024
·
IF 10.9
Ya-Jun Wang,Xiao-Pei Zhang,Dong-Mei Liu,Jun-Guo Li,Jian-Bao Zhang,Yu-Wei Zhang,Ya-Nan Zeng,Yi-Tong Wang,Bao Liu,Xi Zhang,Ya-Jing Zhang
Ca 2 SiO 4 is the primary carbonation-reactive mineral in steel slag, and demonstrates significant carbon sequestration potential, yet its microscopic reaction processes remain unclear. This study investigated the carbonation behavior of Ca 2 SiO 4 using ReaxFF MD simulations. The results indicated that as CO 2 concentration increased, the capture rate of Ca 2 SiO 4 decreased, and the molecular structure of the resulting CaCO 3 varied in oxygen origin. At room temperature, the carbonation rate of Ca₂SiO₄ gradually decreased over time until it reached equilibrium. Increasing the temperature could reactivate the carbonation, but the rate would still decline until it reached equilibrium again. Higher temperatures could accelerate the formation of the intermediate C 2 O 5 2− and internal CO 3 2− diffusion, thereby boosting the carbonation and increasing CO 2 adsorption. This study investigated the carbonation of Ca 2 SiO 4 at the atomic level, aiming to link microscopic molecular processes with macroscopic experimental phenomena, thereby providing a theoretical foundation for enhancing the carbonation efficiency of steel slag.
研究领域:
材料科学
·
环境科学
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产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Wei Feng,Mo Zheng,Jin Bai,Xianxian Zhang,Chuang Wu,Zhenxing Guo,Lingxue Kong,Zongqing Bai,Wen Li
Understanding the effects of co-pyrolysis synergies between low-rank coal and high-density polyethylene (HDPE) on the carbon structure evolution in char and the relationship between char structure and chemical bonds evolution is very needed. A combination of ReaxFF MD and experimental approaches provides an opportunity for fully understanding the dynamic profiles of char structures and coking trends during co-pyrolysis process of coal and HDPE. In this work, consistent conclusions were obtained from fixed-bed experiments and ReaxFF MD simulations in product distribution during both individual coal pyrolysis and co-pyrolysis at different temperatures. The ReaxFF MD simulation results reveal that adding HDPE partially inhibited the coking process of coal char. The RDF results indicated higher order degree and aromaticity exist in coal/HDPE(7:3)-Char when compared to those in coal-Char, which agrees well with the findings from XRD and FTIR approaches. By analyzing the evolution of C=C, C=O, C-O, C( sp 2 )-C( sp 3 ), C( sp 3 )-C( sp 3 ) and C( sp 2 )-H bonds in C 40 + fragments during secondary simulations of co-pyrolytic char, it was observed that the structural order and aromaticity of co-pyrolytic char increase with temperature, and the oxygen-containing bonds are the initial recombination sites for char formation. These findings provide rich theoretical information to complement the understanding of char structure in co-fed systems and the interaction between coal and HDPE blend.
研究领域:
化学工程
·
材料科学
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产品关联
DOI
高影响因子
DESALINATION
·
2022
·
IF 11.211
Guanhua Li,Sheng Li
Wastewater discharge of traditional Chinese medicine production is a serious threat to the environment in China. This study investigated the effectiveness of the UF-FO-MD hybrid system for resources recycle from the TCM wastewater. Real TCM wastewater was treated with the self-assemble UF-FO-MD hybrid system. Moreover, the natural surfactant rejection and the FO fouling impact were evaluated by separate FO operation with synthetic TCM wastewater, and MD wetting was also assessed. Results show that the UF-FO-MD hybrid system successfully isolated the macromolecular substances, bioactive compounds and water in the TCM wastewater for recovering useful resources. Natural surfactants in the TCM wastewater could be effectively rejected by FO, avoiding the subsequent MD wetting problem which has occurred in our previous study on the resource recovering with the UF-MD hybrid system. However, FO membrane fouling might be an issue affecting the recovery efficiency of bioactive compounds from TCM wastewater. The bioactive compounds could not be completely concentrated due to potential adsorption on the fouling layer .
研究领域:
环境科学
·
生物工程
·
废水处理
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产品关联
DOI
高影响因子
ENERGY
·
2024
·
IF 9
Wei Yu,Chao Liu,Xijie Ban,Liyong Xin,Shukun Wang
When siloxanes are used as the working fluids of organic Rankine cycle systems, there is a possibility of air infiltration due to the large vacuum present in the condenser. To address this issue, experimental and simulation studies were conducted on the thermal stability and pyrolysis product characteristics of octamethyltrisiloxane (MDM) in the presence of air. The results indicated that air significantly promotes the decomposition of MDM at the temperatures above 250 °C. Air was helpful in increasing the formation of CH 2 O, CO, and CO 2 , and also enhanced polymerization of decomposition product of siloxane, leading to higher yields of MD 2 M, MD 3 M, MD 4 M, D 3 , D 4 , and D 5 . By combining reactive force field molecular dynamics (ReaxFF-MD) simulations with density functional theory (DFT) calculations, the microscopic mechanisms of MDM's oxidative decomposition by O 2 in air and H 2 O under humid conditions were elucidated. O 2 can easily combine with unsaturated Si atoms to form Si-O bonds, combine with CH 3 radicals to form C-O bonds, and undergoes hydrogen extraction reactions to initiate decomposition. H 2 O mainly undergoes initial decomposition through CH 3 radical hydrogenation and binding with unsaturated Si atoms. The generated O 2 H, O, and OH radicals tend to bind with Si atoms in molecules and radicals, facilitating polymerization reactions.
研究领域:
化学工程
·
材料科学
·
计算化学
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产品关联
DOI
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
·
2024
·
IF 2.8
Keke Chai,Toshio Yamaguchi,Taisen Zuo,Jochi Tseng,Kazutaka Ikeda,Yongquan Zhou
Ethaline, a deep eutectic solvent (DES) composed of choline chloride (ChCl)–ethylene glycol (EG) in a 1:2 molar ratio, is garnering significant interest for its wide potential applications. The nature of liquid formation and the structure of H-bonds within ethaline were investigated by X-ray scattering (XRS), neutron scattering (NS), and MD simulations. The sum of the dissociation energy barriers of Ch-EG (3.31 kJ·mol–1) and EG-Cl (4.28 kJ·mol–1) exceeds that of Ch-Cl (5.97 kJ·mol–1). This results in a more pronounced solvation of ChCl by EG compared to ChCl association, facilitating the solubilization of ChCl crystals by EG to form a DES. A partial radial distribution function (PDF) reveals that Cl– solvation is dominated by the hydroxyl group of EG, while the methylene group dominates Ch+ solvation. The spatial distribution function (SDF) shows that the distribution of EG and Cl– around Ch+ partially overlaps with that of the quaternary ammonium group. However, the center of mass distance of Ch-Cl (4.95 Å) is significantly lower than that of Ch-EG (5.65 Å), suggesting a favorable advantage for Cl– in this competition. Chain and ring structure distributions provide direct evidence of the microheterogeneity of ethaline. Hydroxyl groups on the EG promote the formation of a chain structure in ethaline, while methylene groups favor a ring structure. H-bond, carbon H-bond, and Cl– bridge bond restrict Cl– diffusion. This new understanding is crucial for a deeper comprehension of the microstructure of ethaline and for elucidating its mechanisms in applications.
研究领域:
物理化学
·
材料科学
·
计算化学
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DOI
PubMed
高影响因子
MEDICINE
·
2019
·Vol. 98
·期 44
·e17679
·
IF 1.87
Mu Yi,Wang Xiaodong,Li Xiaohong,Liu Zheng,Li Mingrong,Wang Yanping,Li Qi,Deng Kui,Zhu Jun,Liang Juan
To introduce the National Maternal Near Miss Surveillance System (NMNMSS) in detail and to report the composition of maternal near miss (MNM) in China. The NMNMSS was established by the National Health Commission at the end of 2010, covered over 400 health facilities from 30 provinces in China. The NMNMSS was designed to collect individual information for every pregnant woman admitted to obstetric department in the sampled health facilities. Cross tabulations and correlations were used to describe the distribution of population and sampled facilities in the NMNMSS, and to calculate the MNM mortality ratio for different complications and organ dysfunctions. The individual survey forms of 9,051,638 pregnant women were collected in the NMNMSS between 2012 and 2017. Compared with urban areas, there are very few well-quality medical resources in rural areas. Most women with pregnancy complications in rural areas can only be treated in Level 2 and lower hospitals. MNM in women with indirect obstetric complications received treatment more frequently in Level 3 hospital. The most common maternal complications in severe maternal outcomes (including maternal near miss and maternal death) are obstetrics hemorrhage (58.7%), hypertension disorder (28.0%), and severe anemia (20.6%). The overall MNM mortality ratio is 38:1. The MNM mortality ratios are lowest in amniotic fluid embolism, HIV/AIDS, heart disease, thrombophlebitis, and sepsis. For different organ dysfunctions, the ranks of the MNM mortality ratio from low to high are renal dysfunction, respiratory dysfunction, cardiovascular dysfunction, hepatic dysfunction, neurologic dysfunction, uterine dysfunction, coagulation dysfunction. The NMNMSS is a well-established hospital-based surveillance system for maternal complications in China. It can identify the maternal complications that need to improve health care immediately in China through a powerful longitudinal real-world evidence.
研究领域:
公共卫生
·
妇幼保健
·
流行病学
·
健康监测
·
妇产科学
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DOI
高影响因子
MEDICINE
·
2026
·Vol. 105
·期 34
·e50278
·
IF 2
Qiuyu Zhu,Juan Wang,Fangqiong Li,Ji Shen,Xiaoting Gong,Bo Yang,Xufen Xia,Yuexing Tu
Rationale: Carbapenem-resistant gram-negative bacterial infections remain a challenge. Colistin is an important treatment option but exhibits substantial pharmacokinetic variability and nephrotoxicity, particularly in critically ill patients with altered renal function. Patient concerns: Five critically ill patients (aged from 25 to 94) with infections in the setting of heterogeneous underlying conditions, including hematologic malignancy, acute respiratory failure, severe trauma, chronic obstructive pulmonary disease, and acute cerebral infarction. Their renal function varied markedly, ranging from augmented renal clearance to severe renal impairment. Diagnoses: Carbapenem-resistant Klebsiella pneumoniae , carbapenem-resistant Acinetobacter baumannii , or both were identified during hospitalization. The patients exhibited different renal function profiles. Acute kidney injury was observed in cases 2 to 5, and cases 3 to 5 required continuous renal replacement therapy. Interventions: All patients received intravenous colistin sulfomethate sodium, with plasma colistin concentrations quantified by liquid chromatography–triple quadrupole mass spectrometry; dosing was adjusted according to clinical course and renal function. Outcomes: Colistin plasma concentrations varied considerably among patients and were not simply inversely related to renal function. All patients achieved the ratio of the unbound area under the concentration–time curve to the minimum inhibitory concentration target for systemic infection, and 3 additionally achieved the higher target for pulmonary infection; however, a favorable clinical outcome was observed in only 2 of the 5 cases. Lessons: Colistin exposure cannot be predicted only from renal function; therapeutic drug monitoring may assist in individualized colistin sulfomethate sodium dosing, particularly in patients with augmented renal clearance or markedly altered renal function. Moreover, the target of unbound area under the concentration–time curve to the minimum inhibitory concentration attainment does not necessarily translate into clinical success, indicating that clinical efficacy is also influenced by disease severity and patient-specific factors.
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产品关联
DOI
PubMed
高影响因子
MEDICINE
·
2026
·Vol. 105
·期 5
·e47341
·
IF 1.4
He Mingjie,Wen Jie,Zou Yan,Jiang Qiong,Zhong Aimin
Hyperhomocysteinemia has been identified as a potential metabolic risk factor for type 1 diabetes-related nephropathy (T1DN). However, the causal relationship between homocysteine (Hcy) and T1DN remains unclear. We performed univariable Mendelian randomization (MR) and multivariable MR analyses to investigate the causal effects of Hcy and B vitamins (vitamin B6, B12, and folate) on T1DN in a cohort of 19,406 individuals. Linkage disequilibrium score regression and colocalization analyses were conducted to examine genetic correlations. Additionally, 2-step MR analysis was employed to identify potential mediating factors. Our MR findings revealed that elevated Hcy levels were causally associated with the late stage of T1DN (OR = 1.33, 95% CI: 1.08–1.64; P < .0001; false discovery rate < 0.05). Multivariable MR analysis further confirmed that Hcy remained significantly associated with increased risk of late-stage T1DN (OR = 1.215; false discovery rate < 0.05), even after adjusting for kidney function and vitamin B6 levels. Two-step MR analysis suggested that estimated glomerular filtration rate mediated 3.21% of the effect of Hcy on T1DN. No causal relationship was observed between Hcy and the microalbuminuria stage of T1DN (OR = 0.963, 95% CI: 0.717–1.293). Furthermore, folate, vitamin B6, and vitamin B12 were not significantly associated with T1DN. Experimental results showed that Hcy inhibited HK-2 cell viability and induced cellular injury. Notably, treatment with losartan and sinomenine alleviated Hcy-induced cytotoxicity, indicating their potential protective effects. The findings of this study suggest that elevated Hcy levels represent an important risk factor contributing to the development of T1DN.
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产品关联
DOI
PubMed
高影响因子
MEDICINE
·
2018
·
IF 2.028
Meijia Wu,Ting Huang,Juan Wang,Ping Chen,Wanwan Mi,Yuanyuan Ying,Hangli Wang,Dandan Zhao,Shengwu Huang
Supplemental Digital Content is available in the text
研究领域:
药学
·
肿瘤学
·
生物医学工程
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DOI
PubMed
高影响因子
SEMINARS IN NEUROLOGY
·
2017
·Vol. 37
·期 05
·481-482
·
IF 1.891
David M. Greer
The Guest Editor of this issue of Seminars in Neurology is Dr Joshua P. Klein. Dr Klein is the Associate Professor of Neurology and Radiology at the Harvard Medical School (HMS) and the founding Chief of the Division of Hospital Neurology in the Department of Neurology at the Brigham and Women's Hospital (BWH). Dr Klein is from New York and graduated with honors from the University of Pennsylvania in 1997 and then from the Medical Scientist Training Program at the Yale University School of Medicine in 2005. He is a 2009 graduate of the Harvard (BWH/MGH) Neurology Residency Program where he served as the Chief Resident in his final year. He then completed a fellowship in Diagnostic Neuroimaging at the BWH and is board certified in both Neurology and Neuroimaging. He serves as the Chair of the Membership Committee, member of the Board of Directors, and Secretary of the Executive Committee of the American Society of Neuroimaging . He served as the Chair of the Neurohospitalist Section of the American Academy of Neurology from 2015 to 2017 and is the Section Leader of the RITE Advisory Panel for Neuroimaging. He is a member of the Board of Directors of the Neurohospitalist Society . In addition, he is a member of the Editorial Board of Access Medicine Neurology (McGraw Hill) and Scientific Chair of the Audio Digest Foundation Neurology Board Review Course. At the BWH, he serves as the Clinical Service Director for Inpatient Neurology and Chair of the Neurology Finance Committee. Here, he also served for several years as the Director of Performance Improvement for Neurology. He previously served as the Associate Director of the Neurology Medical Student Clerkship and is the Society Head of the HMS Neuroanatomy Laboratory, where he taught for 10 years. He additionally serves as an Advisor for Best Doctors Inc., Advance Medical Inc., and DocFlight Inc., and is on the Scientific Advisory Board for Aladdin Inc. Dr Klein has participated in neuroimaging research across many areas of clinical neurology, including neuroinflammatory diseases, traumatic brain injury, and neurotoxicity related to cancer therapy. He has published over 70 journal articles, as well as chapters in major textbooks of neurology, hospital medicine, neurosurgery, and psychiatry. He is a frequent lecturer at national and international conferences and has directed or participated in medical education courses in Havana, Pune, Paris, Dubai, and Manila. With Drs Allan H. Ropper and Martin A. Samuels, he coauthored the 10th edition of the textbook “Adams and Victor's Principles of Neurology,” and is also coauthoring the upcoming 11th edition of the same title. Among many clinical and teaching awards, Dr Klein received the HMS Miyawaki Faculty Teaching Award in 2009, the BWH/MGH Neurology Faculty Teacher of the Year Award in 2012, and was selected as a Distinguished Clinician at the BWH in 2017. He is a Fellow of the American Neurological Association , the American Society of Neuroimaging , and the American Academy of Neurology . I greatly appreciate the efforts of Dr Klein, as well as of all the contributing authors, for their superb and insightful work in this issue of Seminars in Neurology , which provides a stellar update of the ever-changing field of neuroimaging. The issue provides not only practical advice to the practicing clinicians, but also deep insights into the cutting-edge research that is taking place rapidly in this field. On a personal note, I express warm thanks to my friend and colleague, Josh, who has been a leader in the field and a mentor to many. We hope you enjoy this marvelous issue!
研究领域:
神经科学
·
医学
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DOI
PubMed
高影响因子
FUEL
·
2022
·
IF 8.035
Wei Feng,Mo Zheng,Lijun Jin,Jin Bai,Lingxue Kong,Huaizhu Li,Zongqing Bai,Wen Li
Co-pyrolysis of waste plastics and low-rank coal is a promising approach to deal with the serious waste crisis and improve the clean utilization of low-rank coal. In this work, the comprehensive co-pyrolysis behaviors of low-rank coal and polyethylene plastics were explored systematically by combining TG experiment, in-situ Py-TOF-MS technique, and ReaxFF MD simulation. The consistent results were obtained among three approaches to demonstrate the positive interaction exists between coal and PE during the co-pyrolysis process, which leads to volatile yield increasing with PE addition. TG experimental results showed that the blending ratio of 7:3 for coal and PE has the strongest synergy during the co-pyrolysis process, while Py-TOF-MS experimental results unraveled that the synergistic effect of coal and PE was determined by changing the content of pyrolysis products rather than by producing cross-reaction products. The PE addition significantly reduced the yield of MAHs and normal alkyl-substituted monophenols and increased the yield of olefins, alkanes, and aromatic derivatives. ReaxFF MD simulation results complement the experimental observation to obtain similar weight loss profiles with TG experiments and consistent identification of major representative tar pyrolyzates with Py-TOF-MS experiments. Particularly, the detailed gas evolving trends and the underlying bond-breaking reactions of C C, C O, and C H bonds were revealed by ReaxFF MD, which indicates PE addition promotes bond breaking of C C and C H to enhance more tar generation. The combination of experiments and ReaxFF MD simulations can capture the comprehension of the co-pyrolysis process between low-rank coal and PE, which can be extended to other co-pyrolysis applications for related solid fuels.
研究领域:
能源与燃料化学
·
材料科学
·
环境科学
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产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）