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Physics-Informed Deep Neural Networks for Learning Parameters and Constitutive Relationships in Subsurface Flow Problems 期刊论文
WATER RESOURCES RESEARCH, 2020, 56 (5)
作者:  Tartakovsky, A. M.;  Marrero, C. Ortiz;  Perdikaris, Paris;  Tartakovsky, G. D.;  Barajas-Solano, D.
收藏  |  浏览/下载:13/0  |  提交时间:2020/07/02
deep neural networks  physics-informed machine learning  parameter estimation  learning constitutive relationships  unsaturated flow  MAP  
Structural basis for catalysis and substrate specificity of human ACAT1 期刊论文
NATURE, 2020, 581 (7808) : 333-+
作者:  Jiao, Huipeng;  Wachsmuth, Laurens;  Kumari, Snehlata;  Schwarzer, Robin;  Lin, Juan;  Eren, Remzi Onur;  Fisher, Amanda;  Lane, Rebecca;  Young, George R.;  Kassiotis, George;  Kaiser, William J.;  Pasparakis, Manolis
收藏  |  浏览/下载:10/0  |  提交时间:2020/07/03

The structure of human ACAT1, which catalyses the transfer of an acyl group from acyl-coenzyme A to cholesterol to form cholesteryl ester, is resolved by cryo-electron microscopy.


As members of the membrane-bound O-acyltransferase (MBOAT) enzyme family, acyl-coenzyme A:cholesterol acyltransferases (ACATs) catalyse the transfer of an acyl group from acyl-coenzyme A to cholesterol to generate cholesteryl ester, the primary form in which cholesterol is stored in cells and transported in plasma(1). ACATs have gained attention as potential drug targets for the treatment of diseases such as atherosclerosis, Alzheimer'  s disease and cancer(2-7). Here we present the cryo-electron microscopy structure of human ACAT1 as a dimer of dimers. Each protomer consists of nine transmembrane segments, which enclose a cytosolic tunnel and a transmembrane tunnel that converge at the predicted catalytic site. Evidence from structure-guided mutational analyses suggests that acyl-coenzyme A enters the active site through the cytosolic tunnel, whereas cholesterol may enter from the side through the transmembrane tunnel. This structural and biochemical characterization helps to rationalize the preference of ACAT1 for unsaturated acyl chains, and provides insight into the catalytic mechanism of enzymes within the MBOAT family(8).


  
Evidence that Criegee intermediates drive autoxidation in unsaturated lipids 期刊论文
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2020, 117 (9) : 4486-4490
作者:  Zeng, Meirong;  Heine, Nadja;  Wilson, Kevin R.
收藏  |  浏览/下载:5/0  |  提交时间:2020/05/13
autoxidation  Criegee intermediate  unsaturated lipids  
Feasibility of Improving Groundwater Modeling by Assimilating Evapotranspiration Rates 期刊论文
WATER RESOURCES RESEARCH, 2020, 56 (2)
作者:  Gelsinari, Simone;  Doble, Rebecca;  Daly, Edoardo;  Pauwels, Valentijn R. N.
收藏  |  浏览/下载:5/0  |  提交时间:2020/07/02
groundwater  data assimilation  ensemble Kalman filter  unsaturated zone  evapotranspiration  MODFLOW  
How Dynamic Boundary Conditions Induce Solute Trapping and Quasi-stagnant Zones in Laboratory Experiments Comprising Unsaturated Heterogeneous Porous Media 期刊论文
WATER RESOURCES RESEARCH, 2019, 55 (12) : 10765-10780
作者:  Cremer, C. J. M.;  Neuweiler, I.
收藏  |  浏览/下载:8/0  |  提交时间:2020/02/16
laboratory experiment  unsaturated porous media  conservative solute transport  dynamic boundary conditions  
Stochastic Analysis of the Soil Water Content Standard Deviation-Mean Value Relationships: On the Physical Significance of the Critical Mean Soil Water Content 期刊论文
WATER RESOURCES RESEARCH, 2019, 55 (12) : 10588-10601
作者:  Russo, David
收藏  |  浏览/下载:6/0  |  提交时间:2020/02/16
unsaturated flow  spatial heterogeneity  constitutive relations  stochastic first-order analysis  numerical simulations  
Minimizing Evaporation by Optimal Layering of Topsoil: Revisiting Ovsinsky's Smart Mulching-Tillage Technology Via Gardner-Warrick's Unsaturated Analytical Model and HYDRUS 期刊论文
WATER RESOURCES RESEARCH, 2019, 55 (5) : 3606-3618
作者:  Kacimov, A. R.;  Obnosov, Yu. V.;  Simunek, J.
收藏  |  浏览/下载:6/0  |  提交时间:2019/11/26
Gardnerian unsaturated conductivity  steady evapotranspiration from a water table  two-layered soils  HYDRUS simulations  
Saturation Dependence of Non-Fickian Transport in Porous Media 期刊论文
WATER RESOURCES RESEARCH, 2019, 55 (2) : 1153-1166
作者:  Hasan, Sharul;  Joekar-Niasar, Vahid;  Karadimitriou, Nikolaos K.;  Sahimi, Muhammad
收藏  |  浏览/下载:12/0  |  提交时间:2019/11/26
dispersion  unsaturated soil  non-Fickian transport  stagnant saturation  relative permeability  pore network model  
Simulation of Capillary Pressure Overshoot in Snow Combining Trapping of the Wetting Phase With a Nonequilibrium Richards Equation Model 期刊论文
WATER RESOURCES RESEARCH, 2019, 55 (1) : 236-248
作者:  Leroux, Nicolas R.;  Pomeroy, John W.
收藏  |  浏览/下载:3/0  |  提交时间:2019/04/09
unsaturated flow  snow  capillary overshoot  saturation overshoot  Richards equation  entrapment of wetting phase  
Aquatic insects rich in omega-3 fatty acids drive breeding success in a widespread bird 期刊论文
ECOLOGY LETTERS, 2018, 21 (12) : 1812-1820
作者:  Twining, Cornelia Wingfield;  Shipley, Jeremy Ryan;  Winkler, David W.
收藏  |  浏览/下载:8/0  |  提交时间:2019/04/09
Aerial insectivores  breeding success  ecological subsidies  food quality  highly unsaturated omega-3 fatty acids  long-term ecological data  Tree Swallows