取代苯并咪唑的电子结构与抗病毒活性关系的研究

采用量子化学从头计算方法,使用G aussian98软件,在6-31G*基组水平上对取代苯并咪唑行了几何构型全优化,确定最松弛的稳定结构,然后在最稳定结构基础上,进行6-31G*单点计算。根据计算结果,从前线轨道能级、M u lliken布居、轨道相互作用、原子净电荷等角度分析了取代苯并咪唑的电子结构和成键特性,并配合分子连接性方法从理论上预测取代苯并咪唑的电子结构与抗病毒活性关系,对抗病毒新药的开发提出理论性指导。     

试论量子理论与中医药现代化

20世纪初产生的量子力学影响到医学领域,20世纪90年代微弱磁场测定装置的出现是量子医学的开端。量子医学的基本理论包括波动力学和水的微现构造。量子医学是应用量子物理理论与方法研究人体生命现象的科学。机体信息的传递、贮存和机体群特征是疾病诊断和治疗的基础;量子治疗是改变机体内各种电磁波及信息贮存的标本兼治。中医理论的诸多基础问题将可能由量子理论来解答。微弱磁场测定装置的出现将为促进中医药现代化、中西医结合架起桥梁。     

量子复活液对大鼠抗氧化作用的影响

[目的]探讨量子复活液对大鼠抗氧化作用的影响.[方法]取雌性Wistar大鼠36只,按体重随机分为对照组、量子复活液45 d组和90 d组;以自由饮用方式给药,给予对照组大鼠普通自来水喂养90 d,给予量子复活液45 d组大鼠普通自来水45 d后,再给予量子复活液喂养45 d,给予量子复活液90 d组大鼠量子复活液90 d.利用比色法测定各组大鼠血清超氧化物歧化酶(SOD)活性和丙二醛(MDA)浓度.[结果]量子复活液喂养90 d组大鼠血清SOD活性显著高于对照组,MDA浓度明显低于对照组,相比较均有显著性差异.[结论]量子复活液可提高大鼠的抗氧化作用,具有一定的抗衰老作用.     

二进制量子粒子群优化算法及其在化工过程故障诊断中的应用

针对实际化工生产过程中故障数据缺乏,采用适合小样本问题的支持向量机(SVM)对化工过程稳态故障进行诊断。为了保证在线故障诊断的实时性,消除高维监控数据以及系统噪声对故障诊断的干扰,提出了一种新的基于二进制量子粒子群优化(BQPSO)算法和SVM的故障特征选择方法。仿真实验表明:BQPSO算法具有良好的全局搜索能力,能够快速、准确地搜索到故障特征变量;而基于特征选择的SVM故障诊断方法能可靠地实现对复杂化工过程的在线故障诊断。     

拉曼耦合J-C模型中原子与光场间的量子纠缠

研究了拉曼耦合J—C模型中存在位相损耗时，原子与光场间的量子纠缠性质，讨论了位相损耗、光场平均光子数和不同的原子初态对系统纠缠特性的影响．结果表明：由于位相损耗的存在，使系统的纠缠随时间演化而减弱，但并不改变其演化的周期性；当光场较强时，其纠缠明显减弱；原子初始所处的状态对系统的纠缠性质也会产生明显的影响．     

G protein-coupled receptors function as logic gates for nanoparticle binding and cell uptake

More selective interactions of nanoparticles with cells would substantially increase their potential for diagnostic and therapeutic applications. Thus, it would not only be highly desirable that nanoparticles can be addressed to any cell with high target specificity and affinity, but that we could unequivocally define whether they rest immobilized on the cell surface as a diagnostic tag, or if they are internalized to serve as a delivery vehicle for drugs. To date no class of targets is known that would allow direction of nanoparticle interactions with cells alternatively into one of these mutually exclusive events. Using MCF-7 breast cancer cells expressing the human Y₁-receptor, we demonstrate that G protein-coupled receptors provide us with this option. We show that quantum dots carrying a surface-immobilized antagonist remain with nanomolar affinity on the cell surface, and particles carrying an agonist are internalized upon receptor binding. The receptor functions like a logic “and-gate” that grants cell access only to those particles that carry a receptor ligand “and” where the ligand is an agonist. We found that agonist- and antagonist-modified nanoparticles bind to several receptor molecules at a time. This multiligand binding leads to five orders of magnitude increased-receptor affinities, compared with free ligand, in displacement studies. More than 800 G protein-coupled receptors in humans provide us with the paramount advantage that targeting of a plethora of cells is possible, and that switching from cell recognition to cell uptake is simply a matter of nanoparticle surface modification with the appropriate choice of ligand type.     

Monitoring of the effect of intervertebral disc nucleus pulposus ablation by MRI

In order to investigate intervertebral disc (IVD) degeneration and repair, a quantitative non‐invasive tool is needed. Various MRI methods including qCPMG, which yields dipolar echo relaxation time (T_DE), magnetization transfer contrast (MTC), and ¹H and ²H double quantum filtered (DQF) MRI were used in the present work to monitor changes in rat IVD after ablation of the nucleus pulposus (NP), serving as a model of severe IVD degeneration. In the intact IVD, a clear distinction between the annulus fibrosus (AF) and the NP is obtained on T₂ and T_DE weighted images as well as on MTC maps, reflecting the high concentration of ordered collagen fibers in the AF. After ablation of the NP, the distinction between the compartments is lost. T₂ and T_DE relaxation times are short throughout the disc and MTC is high. ¹H and ²H DQF signal, which in intact discs is obtained only for the AF, is now observable throughout the tissue. These results indicate that after ablation, there is an ingression of collagen fibers from the AF into the area that was previously occupied by the NP, as was confirmed by histology. Copyright © 2010 John Wiley & Sons, Ltd.     

Noninvasive visualization of multiple simultaneously activated regions on torso magnetocardiographic maps during ventricular depolarization

The time course and instantaneous distribution of the electrophysiologic processes of the human heart were analyzed by using a multichannel superconducting quantum interference device (SQUID) system, enabling the tangential components of the cardiac magnetic fields to be measured. By visualizing the changing magnetic field pattern in a two-dimensional presentation of the anterior and posterior torso during depolarization, the existence of more than one simultaneously activated region and the effective intracardiac current distribution were estimated without using a mathematical algorithm. The mid-to-late QRS complex when the myocardium has widespread depolarizing regions was analyzed using this technique. Even in an early stage of the QRS, two discrete active regions were observed in the magnetic field maps, in all nine subjects (adults with normal hearts). Furthermore, differences in the current distribution between the front and back active region were observed.     

Cytotoxicity of aged cadmium-telluride quantum dots to rainbow trout hepatocytes

The purpose of this study was to examine the lethal and sublethal toxicity of cadmium telluride (CdTe) quantum dots (Q-dots) in primary cultures of rainbow trout hepatocytes. Hepatocytes were exposed to concentrations of positively coated and aged (2 months and 2 years) Q-dots for 48 h at 15°C. Post treatment, cellular analysis was done of cell viability, lipid peroxidation (LPO), DNA damage, metallothioneins (MT), labile zinc/cadmium and heat shock proteins (chaperones). Q-dots were found to be toxic to fish hepatocytes at a threshold concentration of 0.1 mg/l. These nanoparticles increased the levels of MT, labile zinc, DNA strand breaks and heat shock proteins of the 70 kDa family. The strongest response was observed with the molecular chaperone of the 70 kDa family, reaching a 7-fold induction in exposed cells. Overall, the assessment of multiple biomarkers in trout hepatocytes exposed to differently ‘aged’ Q-dots suggests that the cytotoxic responses to two-year-old positively coated CdTe Q-dots were largely due to the liberation of Cd²⁺.     

激光染料无辐射过程的分子轨道研究——结构可动性效应的EHMO计算

本文提出了一种估算结构可动性大小的方法,并用Rosamine 4、Rhod-amine 110的EHMO计算数据,具体估算了它们各自的结构可动性大小。结果是:Rosamine4在78°—90°范围可动,Rhodamine 110在82°—90°范围可动,证实了Rosamine 4的结构可动性大于Rhodamine110的结构可动性这一实验事实。