Nuclear magnetic resonance(NMR)spectroscopy is an indispensable tool to probe weak protein-ligand interactions,which are key to the hit identification and hit-to-lead evolution in fragment-based drug discovery(FBDD).T...Nuclear magnetic resonance(NMR)spectroscopy is an indispensable tool to probe weak protein-ligand interactions,which are key to the hit identification and hit-to-lead evolution in fragment-based drug discovery(FBDD).The integration of NMR technology in FBDD has facilitated the development of a diverse array of candidate compounds and FDAapproved drugs.Here,we summarized the rapid advancement and application of NMR techniques in contemporary China,which serves as a catalyst for the ongoing prosperousness of fragment-derived inhibitors against various targets.展开更多
WITHDRAWAL:Zhang,J.J.,Guo,Y.Q.,Qin,Z.Y.,Wei,C.T.,Hu,Q.H.,Vandeginste,V.,Miao,H.Y.,Yao,P.,and Zhang,P.F.,“Predicting Irreducible Water Saturation of Unconventional Reservoirs by Using NMR T2 Spectra:Methods of Morphol...WITHDRAWAL:Zhang,J.J.,Guo,Y.Q.,Qin,Z.Y.,Wei,C.T.,Hu,Q.H.,Vandeginste,V.,Miao,H.Y.,Yao,P.,and Zhang,P.F.,“Predicting Irreducible Water Saturation of Unconventional Reservoirs by Using NMR T2 Spectra:Methods of Morphological Division and Fractal Models”,Acta Geologica Sinica-English Edition(Accepted Article):https://doi.org/10.1111/1755-6724.15094.展开更多
为改进现有基于核磁共振(nuclear magnetic resonance,NMR)的饱和土渗透系数预测模型,提高NMR技术预测饱和土渗透系数的精度,在NMR弛豫时间T_(2)谱曲线及毛细管理论基础上,考虑毛细管迂曲度对渗透系数的影响,建立适用于饱和土体的渗透...为改进现有基于核磁共振(nuclear magnetic resonance,NMR)的饱和土渗透系数预测模型,提高NMR技术预测饱和土渗透系数的精度,在NMR弛豫时间T_(2)谱曲线及毛细管理论基础上,考虑毛细管迂曲度对渗透系数的影响,建立适用于饱和土体的渗透系数新模型。为验证该模型的准确性,对取自济南地铁裴家营站的粉质黏土试样进行固结渗透试验和核磁共振试验,分析固结过程中试样孔隙和渗透系数的变化规律,测定不同孔隙比状态下试样的渗透系数及T_(2)谱曲线,利用新模型对试样不同T_(2)谱曲线的饱和渗透系数进行预测,并与已有的4个核磁渗透系数模型预测结果进行比较。结果表明:本次试样的孔隙以小孔隙和中孔隙为主,固结中总孔隙的减小主要源自中孔隙的压缩;试样渗透系数随孔隙比降低而降低,两者间呈幂函数关系;在核磁T_(2)谱曲线和毛细管模型的基础上引入平均迂曲度可有效提高饱和土渗透系数预测精度,较已有模型,本研究新模型的预测值与实测值间的均方根误差降低43.1%~67.0%。展开更多
基金the National Key R&D Program of China(2024YFA1306200)National Natural Science Foundation of China(22377119)+2 种基金Anhui Provincial Natural Science Foundation(2208085MC50)USTC Research Funds of the Double First-Class Initiative(YD9100002028,YD9100002036)Research Funds of Center for Advanced Interdisciplinary Science and Biomedicine of IHM(QYPY20220008)for their financial support.
文摘Nuclear magnetic resonance(NMR)spectroscopy is an indispensable tool to probe weak protein-ligand interactions,which are key to the hit identification and hit-to-lead evolution in fragment-based drug discovery(FBDD).The integration of NMR technology in FBDD has facilitated the development of a diverse array of candidate compounds and FDAapproved drugs.Here,we summarized the rapid advancement and application of NMR techniques in contemporary China,which serves as a catalyst for the ongoing prosperousness of fragment-derived inhibitors against various targets.
文摘WITHDRAWAL:Zhang,J.J.,Guo,Y.Q.,Qin,Z.Y.,Wei,C.T.,Hu,Q.H.,Vandeginste,V.,Miao,H.Y.,Yao,P.,and Zhang,P.F.,“Predicting Irreducible Water Saturation of Unconventional Reservoirs by Using NMR T2 Spectra:Methods of Morphological Division and Fractal Models”,Acta Geologica Sinica-English Edition(Accepted Article):https://doi.org/10.1111/1755-6724.15094.
文摘为改进现有基于核磁共振(nuclear magnetic resonance,NMR)的饱和土渗透系数预测模型,提高NMR技术预测饱和土渗透系数的精度,在NMR弛豫时间T_(2)谱曲线及毛细管理论基础上,考虑毛细管迂曲度对渗透系数的影响,建立适用于饱和土体的渗透系数新模型。为验证该模型的准确性,对取自济南地铁裴家营站的粉质黏土试样进行固结渗透试验和核磁共振试验,分析固结过程中试样孔隙和渗透系数的变化规律,测定不同孔隙比状态下试样的渗透系数及T_(2)谱曲线,利用新模型对试样不同T_(2)谱曲线的饱和渗透系数进行预测,并与已有的4个核磁渗透系数模型预测结果进行比较。结果表明:本次试样的孔隙以小孔隙和中孔隙为主,固结中总孔隙的减小主要源自中孔隙的压缩;试样渗透系数随孔隙比降低而降低,两者间呈幂函数关系;在核磁T_(2)谱曲线和毛细管模型的基础上引入平均迂曲度可有效提高饱和土渗透系数预测精度,较已有模型,本研究新模型的预测值与实测值间的均方根误差降低43.1%~67.0%。
