Conformation and chiroptical properties of mandelic acids

Using CD data (solution, solid state, various temperatures), X-ray data and MO calculations for a number of substituted mandelic acids (phenylglycolic acids) an attempt was made to explain the different results for the relation between sign of the ¹L_b CD band and substitution pattern as described in the literature for various types of aromatic compounds. Moreover the reported sector rule has been reconsidered taking into account the sign and magnitude of the spectroscopic moments. It has been found that in any explanation of the signs of the ¹L_b CD bands of substituted aromatic compounds both the conformational behaviour and the spectroscopic moments should be taken into account.     

Stereochemistry of cytidine: conformational analysis and hydrogen bonding

The energy calculations using the INDO molecular orbital method and classical potential function show that the syn conformation of pyrimidine nucleosides having the C_(2')-endo or C_(2')-endo-C_(3')-endo sugar ring puckering is as stable as the corresponding anti form.The O_(2')-O_(2') base-ribose hydrogen bonding significantly alters the Φ_CN conformation by confining the allowed Φ_CN ranges to about 150–210°.     

Molecular characteristics of the inhibition of human neutrophil elastase by nonsteroidal antiinflammatory drugs

Nonsteroidal antiinflammatory drugs(NSAIDs) are known as clinically effective agents for treatment of inflammatory diseases. Inhibition of cyclooxygenase has been thought to be a major facet of the pharmacological mechanism of NSAIDs. However, it is difficult to ascribe the antiinflammatory effects of NSAIDs solely to the inhibition of prostaglandin synthesis. Human neutrophil elastase (HNElastase; HNE, EC 3.4.21.37) has been known as a causative factor in inflammatory diseases. To investigate the specific relationship between HNElastase inhibition and specificity of molecular structure of several NSAIDs, HNElastase was purified by Ultrogel AcA54 gel filtration, CM-Sephadex ion exchange, and HPLC (with TSK 250 column) chromatography. HNElastase was inhibited by aspirin and salicylate in a competitive manner and by naproxen, ketoprofen, phenylbutazone, and oxyphenbutazone in a partial competative manner, but not by ibuprofen and tolmetin. HNElastase-phenylbutazone-complex showed strong Raman shifts at 200, 440, 1124, 1194, 1384, 1506, and 1768 cm(-1). The Raman bands 1194, 1384, and 1768 cm(-1) may represent evidences of the conformational change at -N=N-phi radical, pyrazol ring, and -C=O radical of the elastase-drug complex, respectively. Phenylbutazone might be bound to HNElastase by ionic and hydrophobic interaction, and masked the active site. Inhibition of HNElastase could be another mechanism of action of NSAIDs besides cyclooxygenase inhibition in the treatment of inflammatory diseases. Different inhibition characteristics of HNE-lastase by NSAIDs such as aspirin, phenylbutazone-like drugs and ineffective drugs could be important points for drawing the criteria for appropriate drugs in clinical application.     

基于物联网的医用耗材智能屋管理系统

针对医用高值耗材种类繁多、管理难度大的问题,为减少人力成本、提高医用高值耗材的智能化管理水平。本文提出了基于物联网的高值医用耗材智能屋的管理系统,介绍了智能屋的整体架构、系统功能、核心业务及流程设计,主要分为结构模块、RFID模块、数据库模块、控制系统模块四大模块,具体有用户管理、出入库管理、综合查询、预警管理四大业务,通过GM(1,1)模型对2022年全年高值医用耗材的月消耗量进行预测分析,并且检验得该预测模型的精度等级为一级,模型预测效果很好,能够为医院采购人员采购提供了一个参考,避免因过度的主观估计而造成的耗材浪费。该系统能够有效地提高医院对于高值医用耗材的管理水平,减少人力、物力和财力的消耗,为广大患者提供更加优质的医疗服务。本文所提的高值医用耗材智能屋管理系统解决了传统的高值医用耗材管理的诸多难题。     

Best interpolation in seminorm with convex constraints

Implicit and explicit characterizations of the solutions to the following constrained best interpolation problem $$\min \left\{ {\left\| {Tx - z} \right\|:x \in C \cap A^{ - 1} d} \right\}$$ are presented. Here,T is a densely-defined, closed, linear mapping from a Hilbert spaceX to a Hilbert spaceY, A: X→Z is a continuous, linear mapping withZ a locally, convex linear topological space,C is a closed, convex set in the domain domT ofT, andd∈AC. For the case in whichC is a closed, convex cone, it is shown that the constrained best interpolation problem can generally be solved by finding the saddle points of a saddle function on the whole space, and, if the explicit characterization is applicable, then solving this problem is equivalent to solving an unconstrained minimization problem for a convex function.