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Time-Dependent Density Matrix Renormalization Group Coupled with n-Mode Representation Potentials for the Excited State Radiationless Decay Rate:Formalism and Application to Azulene
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作者 jia-jun ren Yuan-heng Wang +2 位作者 Wei-tang Li Tong Jiang Zhi-gang Shuai 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第5期565-582,I0002,I0003,共20页
We propose a method for calculating the nonradiative decay rates for polyatomic molecules including anharmonic effects of the potential energy surface(PES)in the Franck-Condon region.The method combines the n-mode rep... We propose a method for calculating the nonradiative decay rates for polyatomic molecules including anharmonic effects of the potential energy surface(PES)in the Franck-Condon region.The method combines the n-mode repre-sentation method to construct the ab initio PES and the nearly exact time-dependent density matrix renormalization group method(TD-DMRG)to simulate quantum dynamics.In addition,in the framework of TD-DMRG,we further develop an algorithm to calculate the final-state-resolved rate coefficient which is very useful to analyze the contribution from each vibrational mode to the transition process.We use this method to study the internal conversion(IC)process of azulene after taking into account the anharmonicity of the ground state PES.The results show that even for this semi-rigid molecule,the intramode anharmonicity enhances the IC rate significantly,and after considering the two-mode coupling effect,the rate increases even further.The reason is that the anharmonicity enables the C-H vibrations to receive electronic energy while C-H vibrations do not contribute on the harmonic PES as the Huang-Rhys factor is close to 0. 展开更多
关键词 Time-dependent density matrix renormalization group method Nonradiative decay rate Quantum dynamics Matrix product state
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The concept of “prevention before disease” in Buddhism and its application & dissemination status in modern medicine: a review
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作者 Hui-Chuan Tian Van Tran +2 位作者 jia-jun ren Rui-Yu Mou Ying-Jie Jia 《History & Philosophy of Medicine》 2023年第4期1-9,共9页
The concept of“prevention before disease”in Buddhism has deep roots in traditional Indian medicine and has been integrated into Buddhist philosophy.The Buddhist philosophy of“prevention before disease”is based on ... The concept of“prevention before disease”in Buddhism has deep roots in traditional Indian medicine and has been integrated into Buddhist philosophy.The Buddhist philosophy of“prevention before disease”is based on the cultivation of mindfulness through the practice of meditation.This philosophy has been integrated into modern medicine through the development of mindfulness-based interventions,which have been found to be effective in reducing symptoms of anxiety,depression,and chronic pain.The article also discusses the spread of Buddhist philosophy and its“prevention before disease”concept in different regions of the world and the potential benefits of integrating this philosophy into patient care.Here,we summarized the concept of“Prevention before Disease”in Buddhism and its specific content in Buddhist teachings and discussed its application&dissemination status in modern medicine. 展开更多
关键词 BUDDHISM prevention before disease mindfulness modern medicine
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Alprostadil combined with tripterygium glycosides tablet in treatment of diabetic kidney disease: a systematic review and meta-analysis
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作者 Hui-Chuan Tian jia-jun ren Yi-Chun Shang 《Drug Combination Therapy》 2021年第2期18-28,共11页
Background:Diabetic kidney disease is now the principal cause of end-stage renal failure worldwide.Alprostadil combined with tripterygium glycosides tablet is a new method for diabetic kidney disease treatment.However... Background:Diabetic kidney disease is now the principal cause of end-stage renal failure worldwide.Alprostadil combined with tripterygium glycosides tablet is a new method for diabetic kidney disease treatment.However,there are currently few systematic reviews on treatment for alprostadil combined with tripterygium glycosides tablet.Therefore,a systematic review and meta-analysis was conducted to analyze the function of alprostadil combined with tripterygium glycosides tablet in the treatment of diabetic kidney disease.Methods:We searched Pubmed,Embase,the Cochrane Library,Chinese databases,and clinical trial for randomized controlled trials of alprostadil combined with tripterygium glycosides tablet in the treatment of diabetic kidney disease,including results from the foundation of database until August 5,2020.Two reviewers have independently performed literature screening,data extraction,and quality evaluation.This meta-analysis has been carried out by RevMan5.4 software.Results:Ten randomized controlled trials with 724 patients were involved.Compared with alprostadil alone,the combination of alprostadil and tripterygium glycosides tablet in treatment of diabetic kidney disease could reduce the level of 24-hour urine protein(95%CI(–2.05,–0.22),P=0.01),serum creatinine(95%CI(–5.01,–0.20),P=0.03),level of interleukin-6(95%CI(−4.57,−2.37),P<0.00001),tumor necrosis factor-α(95%CI(−4.57,−2.37),P<0.00001).The combined treatment could also improve the clinical efficacy(95%CI(1.09,1.25),P<0.0001),and reduce the occurrence of serious adverse events(95%CI(0.26,0.94),P=0.03).However,there is no association of two treatments in blood urea nitrogen(95%CI(–4.17,2.11),P=0.52),albumin(95%CI(–1.10,0.97),P=0.90),triglyceride(95%CI(−1.44,1.50),P=0.97).Conclusion:Alprostadil combined with tripterygium glycosides tablet contributes to protecting renal function,inhibiting inflammation,and reducing the occurrence of adverse events,which could be considered as a feasible therapy for diabetic kidney disease patients.However,some clinical variables did not accurately conclude due to the low quality of methodology and small sample sizes.More rigorous and more extensive trials are essential to validate our results.Trial registration:Systematic review registration:(CRD42020203725). 展开更多
关键词 ALPROSTADIL Tripterygium glycosides Diabetic kidney disease META-ANALYSIS Systematic review
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基于葫芦[8]脲主客体化学的双客体组分动态交联水凝胶的制备和性能研究
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作者 张鹏亮 张莹莹 +8 位作者 李新桐 任家骏 邹磊 赵琢 高偲嘉 王亚斐 张岩 骆莹 张拥军 《高分子学报》 SCIE CAS CSCD 北大核心 2024年第1期79-90,共12页
基于超分子主客体作用的动态交联在构筑用于生物大分子和细胞载体的可注射水凝胶输送材料方面具备很多优势,但单一性质交联点的动态快慢程度固定,无法进行调节,难以实现水凝胶动态可调的性能.本研究利用葫芦[8]脲(CB[8])能够与它的客体... 基于超分子主客体作用的动态交联在构筑用于生物大分子和细胞载体的可注射水凝胶输送材料方面具备很多优势,但单一性质交联点的动态快慢程度固定,无法进行调节,难以实现水凝胶动态可调的性能.本研究利用葫芦[8]脲(CB[8])能够与它的客体分子以摩尔比为1/2的比例形成同种三元复合物主客体的相互作用,设计了一种双组分超分子动态交联水凝胶系统.在水凝胶聚合物骨架的侧链上同时引入偶氮苯与苯基吡啶盐2种客体基团,其中偶氮苯客体与CB[8]的结合较弱,呈现较快的动态可逆性质;苯基吡啶盐客体与CB[8]的结合较强,呈现较慢的动态可逆性质.设计不同比例的2种动态交联,得到了系列网络结构相同,但交联点性质动态可调的水凝胶材料.水凝胶性能研究结果显示,得到的材料能够在流变学机械性能、自修复、剪切变稀、应力松弛、大分子药物释放等生物医用关键性质上随客体比例变化而进行调控,具备良好的应用前景. 展开更多
关键词 水凝胶 主客体化学 动态交联
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Effectiveness and Safety of Moxibustion for Poststroke Insomnia:A Systematic Review and Meta-analysis 被引量:2
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作者 jia-jun ren Hui-Chuan Tian +3 位作者 Yun-Fan Wang Yun-Ting Li Qian Xu Lu Tian 《World Journal of Traditional Chinese Medicine》 CAS 2022年第2期199-209,共11页
Objective:This study aimed to systematically evaluate the clinical efficiency and safety of moxibustion for the treatment of poststroke insomnia(PSI).Methods:We searched PubMed,the Cochrane Library,Embase,China Nation... Objective:This study aimed to systematically evaluate the clinical efficiency and safety of moxibustion for the treatment of poststroke insomnia(PSI).Methods:We searched PubMed,the Cochrane Library,Embase,China National Knowledge Infrastructure(CNKI),Wanfang Data Knowledge Service platform(Wanfang Data),Chinese Scientific Journal Database(VIP),and clinical rial for trandomized controlled trials on moxibustion as a treatment for PSI,including results from the creation of all databases until December 12,2020.The functional languages used were Chinese and English.Two reviewers independently performed the literature search,data extraction,and quality evaluation.The primary and secondary outcome measures were the effective rate and adverse events,respectively.The meta-analysis was carried out using RevMan5.4 software and Stata15.Results:Of the 11 trials,996 patients in China's Mainland were included.Compared to the control group,the combination of single moxibustion therapy or moxibustion combined with acupuncture in the treatment of DN could reduce the sleep quality score(SQS)(mean difference[MD]=-0.50,95%confidence interval[CI][-0.89,-0.11],Z=2.51,P=0.01),time to falling asleep score(MD=-0.39,95%CI[-0.49,-0.29],Z=7.79,P<0.00001),sleep time score(MD=-0.34,95%CI[-0.59,-0.09],Z=2.64,P=0.008),sleep efficiency score(MD=-0.30,95%CI[-0.52,-0.08],Z=2.69,P=0.007),sleep disorder score(MD=-0.29,95%CI[-0.49,-0.09],Z=2.85,P=0.004),daily function disturbance score(MD=-0.54,95%CI[-0.82,-0.26],Z=3.78,P=0.0002),Pittsburgh Sleep Quality Index aggregate score(MD=-2.30,95%CI[-2.97,-1.63],Z=6.71,P<0.00001),SPIEGEL aggregate score(MD=-7.62,95%CI[-8.12,-7.12],Z=29.75,P<0.00001),and stroke-specific quality of life aggregate score(MD=12.68,95%CI[0.92,24.44],Z=2.11,P=0.03).Conclusion:This study indicates that moxibustion contributes to the treatment of PSI.Nevertheless,more extensive trials are required to validate the results due to the small sample sizes,few reports on adverse effects,and high risk of bias in the included studies. 展开更多
关键词 INSOMNIA META-ANALYSIS MOXIBUSTION poststroke insomnia traditional Chinese medicine
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