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作者:Seal, Aniruddha; Perego, Simone; Hennefarth, Matthew R.; Raucci, Umberto; Bonati, Luigi; Ferguson, Andrew L.; Parrinello, Michele; Gagliardi, Laura
作者单位:University of Chicago; University of Chicago; Istituto Italiano di Tecnologia - IIT; University of Chicago
摘要:Multireference methods such as multiconfiguration pair-density functional theory accurately capture electronic correlation in systems with strong multiconfigurational character, but their cost precludes direct use in molecular dynamics. Combining these methods with machine-learned interatomic potentials (MLPs) can extend their reach. However, the sensitivity of multireference calculations to the choice of the active space complicates the consistent evaluation of energies and gradients across s...
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作者:Halder, Sebok K.; Delorme-Walker, Violaine D.; Milner, Richard
摘要:The blood-brain barrier (BBB) is critical for maintaining cerebral homeostasis, and its deterioration with age is an important pathogenic factor in the etiology of vascular dementia. Extracellular matrix-integrin interactions play a central role in regulating vascular stability.The alpha v beta 3 integrin is not expressed by brain endothelial cells under stable conditions but is strongly induced by hypoxia. However, it is currently unclear whether alpha v beta 3 integrin exerts a destructive o...
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作者:Beans, Carolyn
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作者:Pourhosseinzadeh, Mohammad S.; Huang, Jessica L.; Shin, Donghan; Hart, Ryan G.; Framroze, Luhaiza Y.; Guillen, Jaresley, V; Sanchez, Joel; Tirado, Ramir, V; Unanwa, Kelechi; Huising, Mark O.
作者单位:University of California System; University of California Davis; University of California System; University of California Davis
摘要:Insulin potently decreases blood glucose; thus, tight control is required to prevent excessive insulin release and hypoglycemia. Central to this inhibition is somatostatin released from delta cells that are clustered with beta cells in pancreatic islets. This communication is of interest because the loss of functional beta cells in diabetes leads to uncontrolled delta cell activity that disrupts islet paracrine crosstalk. While it is established that insulin and somatostatin secretion are coor...
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作者:Saxena, Sunil; Waldeck, David H.
作者单位:Pennsylvania Commonwealth System of Higher Education (PCSHE); University of Pittsburgh
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作者:Stanhope, Sarah C.; Singhal, Kratika; Morato, Nicolas M.; Feng, Yunfei; Meng, Gaoya; Marlin, Makayla N.; Kotanko, Claudia C.; Jarrett, Madolyn M.; Mesecar, Andrew D.; Cooks, R. Graham; Weake, Vikki M.
作者单位:Purdue University System; Purdue University; Purdue University System; Purdue University; Purdue University System; Purdue University; Purdue University System; Purdue University
摘要:One- carbon metabolism influences gene expression by providing methyl units for DNA, RNA, and histone methylation. Robust methylation requires rapid hydrolysis of the (Ahcy). Ahcy is essential for maintaining methylation potential; however, the mechanisms governing its enzymatic activity, particularly in response to cellular stress, remain largely uncharacterized. Here, we show Ahcy is a redox- sensitive enzyme that is inhibited by oxidation of a conserved cysteine, C195, in vitro resulting in...
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作者:Kuhn, Hunter W.; Smither, Madeleine R.; Collins, Christina A.; Gaut, Joseph P.; Diamond, Michael S.; Hunstad, David A.
作者单位:Washington University (WUSTL); Washington University (WUSTL); Washington University (WUSTL); Washington University (WUSTL)
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作者:Possenriede, Lena; Sendtner, Georg W.; Falahat, Peyman; Miranda, Julia; Schmidt, Axel; Ludwig, Kerstin U.; von Vietinghoff, Sibylle
作者单位:University of Bonn; University of Bonn
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作者:Wang, Yu; Li, Tang; Zheng, Yangjie; Guo, Chenxin; Li, Kuikui; Jia, Xiaochen; Zhu, Liping; Chen, Kecai; Yin, Heng
作者单位:Chinese Academy of Sciences; Dalian Institute of Chemical Physics, CAS; Chinese Academy of Sciences; University of Chinese Academy of Sciences, CAS
摘要:Steviol glycosides (SGs) from Stevia rebaudiana are prized as noncaloric sweeteners, with rebaudioside M (Reb M)-a next-generation SG known for its sucrose-like sweetness and lack of off-tastes-standing out for its superior sensory profile. However, Reb M's limited natural abundance impedes its commercial production. Here, we report the identification of a glucosyltransferase, UGT76G4 that efficiently catalyzes the conversion of Reb D to Reb M with a strong preference for C19 glycosylation. St...
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作者:Yao, McKenna Loop; Zill, Nicholas A.; Barber, Colin Charles; Du, Yongle; Lin, Peijun; Zhai, Rui; Yoon, Eunice; Al Marzooqi, Dunya; Zhang, Wenjun