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Cornu, Pieter,Phansalkar, Shobha,Seger, Diane L.,Cho, Insook,Pontefract, Sarah,Robertson, Alexandra,Bates, David W.,Slight, Sarah P. Elsevier 2018 International journal of medical informatics Vol.111 No.-
<P>Conclusions: Alert warnings existed for most of the high-priority DDIs in the different EHRs but overriding them was easy in most of the systems. In addition to validating the high-and low-priority DDIs, this study reported a lack of standardization in DDI levels across different international knowledge bases.</P>
( Joo Won Nam ),( Rasika S Phansalkar ),( David C Lankin ),( Jonathan Bisson ),( James B Mcalpine ),( Ariene A Leme ),( Cristina M P Vidal ),( Benjamin Ramirez ),( Matthias Niemitz ),( Ana Bedran Russ 영남대학교 약품개발연구소 2016 영남대학교 약품개발연구소 연구업적집 Vol.26 No.-
The ability of certain oligomeric proanthocya-nidins (OPACs) to enhance the biomechanical properties of dentin involves collagen cross-linking of the 1.3-4.5 nm wide space via protein-polyphenol interactions. A systematic interdisciplinary search for the bioactive principles of pine bark has yielded the trimeric PAC, ent-epicatechin-(4β →S)-epicatechin-(2β→0→7,4β→8)-catechin (3), representing the hitherto most potent single chemical entity capable of enhancing dentin stiffness. Building the case from two congeneric PAC dimers, a detailed structural analysis decoded the stereochemistry, spatial arrangement, and chemical properties of three dentin biomodifiers, Quantum-mechanics-driven <sup>1</sup>H iterative full spin analysis (QM-HiFSA) of NMR spectra distinguished previously unrecognized details such as higher order J coupling and provided valuable information about 3D structure. Detection and quantification of H/D-exchange effects by QM-HiFSA identified C-S and C-6 as (re) active sites, explain preferences in biosynthetic linkage, and suggest their involvement in dentin cross-linking activity. Mapping of these molecular properties underscored the significance of high 8 precision in both <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. Occurring at low- to subppb levels, these newly characterized chemical shift differences in ppb are small but diagnostic measures of dynamic processes inherent to the OPAC pharmacophores and can help augment our understanding of nanometer-scale intermolecular interactions in biomodified dentin macromolecules.