含噻唑、硫醚结构的1,2,4-三唑类化合物的合成及生物活性

以三氟乙酰乙酸乙酯、磺酰氯、水合肼、异硫氰酸苯酯、碘代芳烃、氯乙酸等为原料,设计、合成了7种新型的含噻唑环、硫醚和三氟甲基的1,2,4-三氮唑类化合物,通过¹H NMR、¹³C NMR、¹⁹F NMR和MS等技术手段对新化合物进行了结构表征。 杀菌活性测试表明,化合物6b、6d和6g在浓度为100 mg/L时对纹枯病菌(Rhizoctoniasolani)的抑制率分别为91%、92%和93%。     

Sr,Ca掺杂对铝酸盐蓝色荧光粉性能的影响

采用高温固相反应法制备了掺杂Sr,Ca的碱土金属铝酸盐蓝色荧光粉。通过测试发现粉样的发光强度与热稳定性均有了较大提高。这与Sr,Ca取代BaMgAl10O17:Eu^2 中的部分Ba后晶体结构变化有关。掺杂少量的Sr,Ca后,所得荧光粉的晶格参数c变小,晶胞体积也随之变小。因此减小了对发光有害的缺陷浓度,并增加了粉样的热稳定性能。     

Real-time monitoring of ischemic and contralateral brain pO2 during stroke by variable length multisite resonators

Purpose

Electron paramagnetic resonance (EPR) oximetry using variable length multi-probe implantable resonator (IR), was used to investigate the temporal changes in the ischemic and contralateral brain pO₂ during stroke in rats.

Material and methods

The EPR signal to noise ratio (S/N) of the IR with four sensor loops at a depth of up to 11 mm were compared with direct implantation of lithium phthalocyanine (LiPc, oximetry probe) deposits in vitro. These IRs were used to follow the temporal changes in pO₂ at two sites in each hemisphere during ischemia induced by left middle cerebral artery occlusion (MCAO) in rats breathing 30% O₂ or 100% O₂.

Results

The S/N ratios of the IRs were significantly greater than the LiPc deposits. A similar pO₂ at two sites in each hemisphere prior to the onset of ischemia was observed in rats breathing 30% O₂. However, a significant decline in the pO₂ of the left cortex and striatum occurred during ischemia, but no change in the pO₂ of the contralateral brain was observed. A significant increase in the pO₂ of only the contralateral non-ischemic brain was observed in the rats breathing 100% O₂. No significant difference in the infarct volume was evident between the animals breathing 30% O₂ or 100% O₂ during ischemia.

Conclusions

EPR oximetry with IRs can repeatedly assess temporal changes in the brain pO₂ at four sites simultaneously during stroke. This oximetry approach can be used to test and develop interventions to rescue ischemic tissue by modulating cerebral pO₂ during stroke.     

Valence state parameters of all transition metal atoms in metalloproteins—development of ABEEMσπ fluctuating charge force field

To promote accuracy of the atom‐bond electronegativity equalization method (ABEEMσπ) fluctuating charge polarizable force fields, and extend it to include all transition metal atoms, a new parameter, the reference charge is set up in the expression of the total energy potential function. We select over 700 model molecules most of which model metalloprotein molecules that come from Protein Data Bank. We set reference charges for different apparent valence states of transition metals and calibrate the parameters of reference charges, valence state electronegativities, and valence state hardnesses for ABEEMσπ through linear regression and least square method. These parameters can be used to calculate charge distributions of metalloproteins containing transition metal atoms (Sc‐Zn, Y‐Cd, and Lu‐Hg). Compared the results of ABEEMσπ charge distributions with those obtained by ab initio method, the quite good linear correlations of the two kinds of charge distributions are shown. The reason why the STO‐3G basis set in Mulliken population analysis for the parameter calibration is specially explained in detail. Furthermore, ABEEMσπ method can also quickly and quite accurately calculate dipole moments of molecules. Molecular dynamics optimizations of five metalloproteins as the examples show that their structures obtained by ABEEMσπ fluctuating charge polarizable force field are very close to the structures optimized by the ab initio MP2/6–311G method. This means that the ABEEMσπ/MM can now be applied to molecular dynamics simulations of systems that contain metalloproteins with good accuracy. © 2014 Wiley Periodicals, Inc.     

Two-photon Dissociation Study of Carbon Disulfide in Acetonitrile at 266 nm

Using laser flash photolysis/transient absorption technique for the study of two photon photodissociation of carbon disulfide in acetonitrile solution at 266 nm, the transient UV-Vis absorption spectrum of Rydberg state CS2 （6sσg） within 240-370 nm and subsequent dissociation product CS （α^3П） with the maximum absorption at 260 nm were directly observed. The lifetime of CS （α^3П） in the nitrogen and oxygen saturated solution is also studied in our experiment.     

太赫兹电磁波大气吸收衰减逐线积分计算

大气对太赫兹辐射传输存在一定的非协作性,即存在吸收衰减。为了实现太赫兹辐射的有效应用必须细致地了解太赫兹辐射大气传输的窗口位置、宽度及大气透过率。选取了处理大气非均匀路径、吸收带重叠等大气辐射传输问题的最精确方法逐线积分法,发展计算程序,并基于HITRAN分子谱线数据,对水汽、氧气、臭氧、氮气、二氧化碳等单组分气体分子对太赫兹辐射传输的吸收衰减情况进行了计算与分析,并给出了在太赫兹电磁波大气传输衰减中占主要因素的水汽和氧气的衰减峰位置。     

斜波导喇曼振荡器

 采用斜波导的喇曼氢气池, 使泵浦激光束在波导内部传播, 增大了受激喇曼散射的作用区域。在传播过程中光束截面逐渐被压缩, 补偿因波导内壁的反射损耗而引起的功率密度下降。在一定气压范围内提高了喇曼转换的效率, 并利用波导对激光束的均匀作用, 使输出的一阶斯托克斯光光强的均匀性获得改善。     

The Cu-MOF-199/single-walled carbon nanotubes modified electrode for simultaneous determination of hydroquinone and catechol with extended linear ranges and lower detection limits

A novel electrochemical sensor based on Cu-MOF-199 [Cu-MOF-199 = Cu₃(BTC)₂ (BTC = 1,3,5-benzenetricarboxylicacid)] and SWCNTs (single-walled carbon nanotubes) was fabricated for the simultaneous determination of hydroquinone (HQ) and catechol (CT). The modification procedure was carried out through casting SWCNTs on the bare glassy carbon electrode (GCE) and followed by the electrodeposition of Cu-MOF-199 on the SWCNTs modified electrode. Cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS) and scanning electron microscopy (SEM) were performed to characterize the electrochemical performance and surface characteristics of the as-prepared sensor. The composite electrode exhibited an excellent electrocatalytic activity with increased electrochemical signals towards the oxidation of HQ and CT, owing to the synergistic effect of SWCNTs and Cu-MOF-199. Under the optimized condition, the linear response range were from 0.1 to 1453 μmol L⁻¹ (R_HQ = 0.9999) for HQ and 0.1–1150 μmol L⁻¹ (R_CT = 0.9990) for CT. The detection limits for HQ and CT were as low as 0.08 and 0.1 μmol L⁻¹, respectively. Moreover, the modified electrode presented the good reproducibility and the excellent anti-interference performance. The analytical performance of the developed sensor for the simultaneous detection of HQ and CT had been evaluated in practical samples with satisfying results.     

基于分数导数研究高强度聚焦超声的非线性声场

在高强度聚焦超声(high intensity focused ultrasound, HIFU) 的研究中, 生物组织的衰减和色散性质会对声能量的空间分布产生影响. 本文提出应用分数导数修正非线性Khokhlov-Zabolotskaya-Kuznetsov (KZK)方程, 研究生物组织中非线性HIFU声场. 对三种生物仿体的衰减和声速色散的理论实验研究表明分数导数应用的可行性, 在此基础上通过数值仿真分析研究了衰减及声速随频率的变化对HIFU焦域分布的影响. 研究结果表明, 在计算强非线性聚焦超声时, 由于高次谐波的强色散作用, 引入分数导数来解决生物组织特殊的衰减以及色散问题可进一步提高HIFU治疗的安全性. 关键词： 分数导数 声衰减 色散 高强度聚焦超声     

Simultaneous Magneto-Optical Trapping of Fermionic ^40K and Bosonic ^87Rb Atoms

We report on simultaneous magneto-optical trapping of fermionic ^40K and bosonic 87Rb atoms. This trap is the first step towards quantum degenerate fermi gas ^40K. Laser lights for the two-species magneto-optical trap （MOT） are generated from diode lasers and tapered amplifier. The enriched ^40K dispenser is utilized in the experimental setup. We obtain up to 10^7 -10^8 ^40K and 10^8 -10^9 ^87Rb atoms respectively in the steady-state single-species MOT.