|
|
|
题名
|
作者
|
年代
|
出处
|
被引量
|
| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | High fat diet dysregulates microRNA-17-5p and triggers retinal inflammation:Role of endoplasmic-reticulum-stress显示文摘AIM To elucidate how high diet-induced endoplasmic reticulum-stress upregulates thioredoxin interacting protein expression in Müller cells leading to retinal inflammation. METHODS Male C57Bl/J mice were fed either normal diet or 60% high fat diet for 4-8 wk. During the 4 wk study, mice received phenyl-butyric acid(PBA); endoplasmic reticulum-stress inhibitor; for 2 wk. Insulin resistance was assessed by oral glucose tolerance. Effects of palmitate-bovine serum albumin(BSA)(400 μmol/L) were examined in retinal Müller glial cell line and primary Müller cells isolated from wild type and thioredoxin interacting protein knock-out mice. Expression of thioredoxin interacting protein, endoplasmic reticulum-stress markers, mi R-17-5p m RNA, as well as nucleotide-binding oligomerization domain-like receptor protein(NLRP3) and IL1β protein was determined.RESULTS High fat diet for 8 wk induced obesity and insulin resistance evident by increases in body weight and impaired glucose tolerance. By performing quantitative real-time polymerase chain reaction, we found that high fat diet triggered the expression of retinal endoplasmic reticulum-stress markers(P < 0.05). These effects were associated with increased thioredoxin interacting protein and decreased mi R-17-5p expression, whichwere restored by inhibiting endoplasmic reticulumstress with PBA(P < 0.05). In vitro, palmitate-BSA triggered endoplasmic reticulum-stress markers, which was accompanied with reduced mi R-17-5p and induced thioredoxin interacting protein m RNA in retinal Müller glial cell line(P < 0.05). Palmitate upregulated NLRP3 and IL1β expression in primary Müller cells isolated from wild type. However, using primary Müller cells isolated from thioredoxin interacting protein knock-out mice abolished palmitate-mediated increase in NLRP3 and IL1β.CONCLUSION Our work suggests that targeting endoplasmic reticulumstress or thioredoxin interacting protein are potential therapeutic strategies for early intervention of obesityinduced retinal inflammation. | Maha Coucha Islam N Mohamed Sally L Elshaer Osinakachuk Mbata Megan L Bartasis Azza B El-Remessy | 2017 | World Journal of Diabetes2017，8，2： | 8 |
| 3 | Thioredoxin interacting protein,a key molecular switch between oxidative stress and sterile inflammation in cellular response显示文摘Tissue and systemic inflammation have been the main culprit behind the cellular response to multiple insults and maintaining homeostasis.Obesity is an independent disease state that has been reported as a common risk factor for multiple metabolic and microvascular diseases including nonalcoholic fatty liver disease(NAFLD),retinopathy,critical limb ischemia,and impaired angiogenesis.Sterile inflammation driven by high-fat diet,increased formation of reactive oxygen species,alteration of intracellular calcium level and associated release of inflammatory mediators,are the main common underlying forces in the pathophysiology of NAFLD,ischemic retinopathy,stroke,and aging brain.This work aims to examine the contribution of the pro-oxidative and pro-inflammatory thioredoxin interacting protein(TXNIP)to the expression and activation of NLRP3-inflammasome resulting in initiation or exacerbation of sterile inflammation in these disease states.Finally,the potential for TXNIP as a therapeutic target and whether TXNIP expression can be modulated using natural antioxidants or repurposing other drugs will be discussed. | Islam N Mohamed Luling Li Saifudeen Ismael Tauheed Ishrat Azza B El-Remessy | 2021 | World Journal of Diabetes2021，12，12： | 6 |
| 4 | Very low conductivity threshold in bulk isotropic single-walled carbon nanotubeepoxy composites显示文摘 | Bryning M B Islam M F Kikkawa J | 2005 | Polymer2005，17，9： | 1 |
| 5 | Effect of nanosecond pulsed electric fields on the human prostate cancer cell line LNCaP显示文摘 | Donthula V Camps R B Islam N E | 2009 | IEEE Transactions on Dielectrics and Electrical Insulation2009，16，5： | 1 |
| 6 | Hydrogen production by Clostridium thermocellum 27405 from cellulosic biomass substrates 显示文摘 | David B Levin Rumana Islam Nazim Cicek | 2006 | Int J Hydrogen Energy2006，31，11： | 1 |
| 7 | Pa- tient dose from kilo - voltage cone beam computed tomography imaging in radiation therapy 显示文摘 | Islam M K Purdie T G Non'linger B D | 2006 | Med Phys2006，33，6： | 1 |
| 8 | Interaction of mitoxantrone with human serum albumin: Spectroscopic and molecular modeling studies显示文摘 | Khan S N Islam B Yennamalli R et aI | 2008 | Eur J Pharm Sci2008，35，： | 1 |
| 9 | High-efficiency-sensitized solar cell with a novel co-adsorbent显示文摘 | Han L Y Islam A Chen H Malapaka C Chiranjeevi B Zhang S F Yang X D Yanagida M | | 0，，03： | 1 |
| 10 | Transfer function models for determing dynamic wind loads on buildings显示文摘 | M Islam B Ellingwood R Corotis | 1990 | Journal of Wind Engineering and Industrial Aerodynamics1990，36，： | 1 |
| 11 | Dynamic interfacial tension in surfactant enhanced alkaline flooding显示文摘 | Taylor K C Hawkins B F Rafiq Islam M | 1990 | J Canada Petrol Technol1990，29，1： | 1 |
| 12 | Peripheral blood cell preparation influences the level of expression of leukocyte cell surface markers as assessed with quantitative mulucolor flow cytometry 显示文摘 | ISLAM D LINDBERG AA CHRISTENS B | 1995 | Cytometry1995，22，： | 1 |
| 13 | Thermal performance of a linear fresnel reflector solar concentrator using a black liquid显示文摘 | Mohammed Nurul Islam B S Negi Kandpal T C | 1992 | Renewable Energy1992，2，45： | 1 |
| 14 | A direct mass-ac- tion mechanism explains capacitative calcium entry in Jurkat and skeletal L6 muscle cells显示文摘 | Narayanan B Islam M N Bartelt D | 2003 | Biol Chem2003，278，44： | 1 |
| 15 | Characterization and prediction of runoff dynamics: a nonlinear dynamical view 显示文摘 | Islam M N Sivakumar B | 2002 | Advances in Water Resources2002，25，2： | 1 |
| 16 | Relation of percentage of body fat and maxi real aerobic capacity to risk factors for ather osclerosis and diabetes in black and white seven to eleven-years old children 显示文摘 | Gutin B Islam S Manos T | 1994 | J Pediatr1994，125，： | 1 |
| 17 | Transfer function models for determing dynamic wind loads on buildings显示文摘 | M Islam B Ellingwood R Corotis | 1990 | Journal of Wind Engineering and Industrial Aerodynamics1990，36，： | 1 |
| 18 | Clinical predictors of EMG-confirmedcervical and lumbosacral radiculopathy显示文摘 | HassanA Hameed B Islam Me | 2013 | Can J Neurol Sci2013，40，2： | 1 |
| 19 | Very low conductivity threshold in bulk isotropic single wall carbon nanotube epoxy composites 显示文摘 | Bryning M B Islam M F Kikkawa J M | 2005 | Adv Mater2005，17，9： | 1 |
| 20 | Very low conductivity threshold in bulk isotropic single walled carbon nanotube-epoxy composite显示文摘 | Bryning M B Islam M F Kikkawa J M | 2005 | Advanced Materials2005，17，9： | 1 |
您所在的机构暂未开通此部分的功能，请联系管理员