Bile acids are the main body of enterohepatic circulation in vivo.They have essential functions such as emulsifying fat,bacteriostasis and regulating multiple metabolic pathways as signal molecules.However,the assignm...Bile acids are the main body of enterohepatic circulation in vivo.They have essential functions such as emulsifying fat,bacteriostasis and regulating multiple metabolic pathways as signal molecules.However,the assignments of NMR signals for some lowconcentration bile acids are still needed.This study combined 1D nuclear magnetic resonance(NMR)and 2D NMR techniques including 1He1H correlation spectroscopy(COSY),1He1H total correlation spectroscopy(TOCSY),1H J-resolved spectroscopy(J-Res),1He13C heteronuclear single quantum coherence spectroscopy(HSQC),and 1He13C heteronuclear multiple bond correlation spectroscopy(HMBC)to assign the 1H and 13C signals of six bile acids in aqueous solution at physiological pH(~7.4)and nine bile acids in methanol.These data are of importance to the NMR-based studies on lipid digestion,absorption,and metabolism.展开更多
The 2D NMR(T_(1)-T_(2))mapping technique,which can be used to separate different proton populations from various sources(hydroxyls,solid organic matter,free water,and free HC)has gained attention in petroleum industry...The 2D NMR(T_(1)-T_(2))mapping technique,which can be used to separate different proton populations from various sources(hydroxyls,solid organic matter,free water,and free HC)has gained attention in petroleum industry.To separate proton contributions,a fixed straight line is commonly employed to separate different regions representing proton sources on the map.However,some of these regions(Region 1 and 2)might overlap which makes extracting the NMR signal amplitude from these regions inaccurate.In order to solve this issue,in this study,we applied the Gaussian distribution deconvolution method to separate the T_(1)and T_(2)relaxation distributions and then derived the signal amplitude of each region instead of following the common fixed line approach.Next,we employed this method to analyze several shale samples from the literature and compared the results following both methods to verify our methodology.Finally,samples from the Bakken Shale were studied to separate signals from Region 1 and Region 2 and corelated the results with geochemical properties that were obtained from programmed(Rock Eval)pyrolysis.Results demonstrated an improvement in their relation when our approach is employed compared to the fixed line technique to differentiate signal from overlapping regions.This means the Gaussian distribution deconvolution method can be used with confidence to provide us with more accurate petrophysical and geochemical understanding of complex formations.展开更多
文摘Bile acids are the main body of enterohepatic circulation in vivo.They have essential functions such as emulsifying fat,bacteriostasis and regulating multiple metabolic pathways as signal molecules.However,the assignments of NMR signals for some lowconcentration bile acids are still needed.This study combined 1D nuclear magnetic resonance(NMR)and 2D NMR techniques including 1He1H correlation spectroscopy(COSY),1He1H total correlation spectroscopy(TOCSY),1H J-resolved spectroscopy(J-Res),1He13C heteronuclear single quantum coherence spectroscopy(HSQC),and 1He13C heteronuclear multiple bond correlation spectroscopy(HMBC)to assign the 1H and 13C signals of six bile acids in aqueous solution at physiological pH(~7.4)and nine bile acids in methanol.These data are of importance to the NMR-based studies on lipid digestion,absorption,and metabolism.
基金support from the National Natural Science Foundation of China(42090020,42090025,42272150)the Sinopec Science and Technology Department(No.P20049-1).
文摘The 2D NMR(T_(1)-T_(2))mapping technique,which can be used to separate different proton populations from various sources(hydroxyls,solid organic matter,free water,and free HC)has gained attention in petroleum industry.To separate proton contributions,a fixed straight line is commonly employed to separate different regions representing proton sources on the map.However,some of these regions(Region 1 and 2)might overlap which makes extracting the NMR signal amplitude from these regions inaccurate.In order to solve this issue,in this study,we applied the Gaussian distribution deconvolution method to separate the T_(1)and T_(2)relaxation distributions and then derived the signal amplitude of each region instead of following the common fixed line approach.Next,we employed this method to analyze several shale samples from the literature and compared the results following both methods to verify our methodology.Finally,samples from the Bakken Shale were studied to separate signals from Region 1 and Region 2 and corelated the results with geochemical properties that were obtained from programmed(Rock Eval)pyrolysis.Results demonstrated an improvement in their relation when our approach is employed compared to the fixed line technique to differentiate signal from overlapping regions.This means the Gaussian distribution deconvolution method can be used with confidence to provide us with more accurate petrophysical and geochemical understanding of complex formations.
基金The open project of State Key Laboratory of Phytochemistry and Plant Resources in West China,Kunming Institute of Botany,Chinese Academy of Sciences(P2008-KF05)the project of western doctorate foundationthe knowledge innovation project from the northwest institute of plateau biology,Chinese Academy of Sciences
文摘从阴山大戟的根部首次分到一个已知的对映-海松烷型二萜,3α,19-dihydroxyl-ent-pimara-9,15-diene,通过二维波谱方法(1 H-1 H COSY,HMBC,HMQC,ROESY)确定了其结构,并且首次此化合物的H谱和C谱数据进行了全归属.
基金Doctoral Science Foundation of Henan University of Traditional Chinese Medicine(BSJJ2011-13)the National Natural Science Foundation of China(30873363)
文摘采用二维核磁共振技术(1 H-1 H COSY,DEPT,HSQC,HMBC,NOESY)和CD光谱,确定了A环开环型芳基萘内酯类木脂素3′,4′-O,O-demethylene-4-O-demethylpodophyllotoxin(1)的结构.首次对化合物1的13C NMR数据进行了全归属.
