A novel synthesis of organic diselenapolysulfides

A family of organic polychalcogenides with a common structure of RSeS_xSeR (with x=1, 2, 3 and R=CH₃, Ph, PhCH₂, O₂NC₆H₄CH₂) as well as cyclic 5,5-dimethyl-1,2-dithia-3,7-diselenacycloheptane were synthesized in good yield and high purity from the reaction of Ph₃CS_xCl with corresponding diselenides in chloroform at room temperature. Mechanistic aspects of the insertion involving the formation of an intermediate (RSeS_xCPh₃) are discussed.     

The asymptotic equivalence of Bayes and maximum likelihood estimation

Let (X, $\text{A}$) be a measurable space, Θ ? $\text{R}$ an open interval and P_Ω ∥ $\text{A}$, Ω ? Θ, a family of probability measures fulfilling certain regularity conditions. Let $\text{Ω}{}_{\mathrm{n}}$ be the maximum likelihood estimate for the sample size n. Let λ be a prior distribution on Θ and let $\text{R}{}_{\mathrm{<mtext>n,</mtext><mtext>x</mtext>}}$ be the posterior distribution for the sample size n given $\text{x}\text{? X}{}^{\mathrm{n}}$. $\text{L:}\text{Θ}\text{× Θ →}\text{R}$ denotes a loss function fulfilling certain regularity conditions and T_n denotes the Bayes estimate relative to λ and L for the sample size n. It is proved that for every compact K ? Θ there exists c_K ≥ 0 such that

This theorem improves results of Bickel and Yahav [3], and Ibragimov and Has'minskii [4], as far as the speed of convergence is concerned.     

N,N-Diethyl-3-toluamide Formulation Based on Ethanol Containing 0.1% 2-Hydroxypropyl-β-cyclodextrin Attenuates the Drug’s Skin Penetration and Prolongs the Repellent Effect without Stickiness

N,N-diethyl-3-toluamide (DEET) is one of the most widely used insect repellents in the world. It was reported that a solution containing 6–30% cyclodextrin (CD) as a solvent instead of ethanol (EtOH) provided an enhancement of the repellent action time duration of the DEET formulation, although the high-dose CD caused stickiness. In order to overcome this shortcoming, we attempted to prepare a 10% DEET formulation using EtOH containing low-dose CDs (β-CD, 2-hydroxypropyl-β-CD (HPβCD), methyl-β-CD, and sulfobutylether-β-CD) as solvents (DEET/EtOH/CD formulations). We determined the CD concentration to be 0.1% in the DEET/EtOH/CD formulations, since the stickiness of 0.1% CDs was not felt (approximately 8 × 10⁻³ N). The DEET residue on the skin superficial layers was prolonged, and the drug penetration into the skin tissue was decreased by the addition of 0.1% CD. In particular, the retention time and attenuated penetration of DEET on the rat skin treated with the DEET/EtOH/HPβCD formulation was significantly higher in comparison with that of the DEET/EtOH formulation without CD. Moreover, the repellent effect of DEET was more sustained by the addition of 0.1% HPβCD in the study using Aedes albopictus. In conclusion, we found that the DEET/EtOH/HPβCD formulations reduced the skin penetration of DEET and prolonged the repellent action without stickiness.     

H2SO4-H2O中硝酸铜对脱硫石膏晶须生长的影响

以处理后的脱硫石膏为原料,在H₂SO₄-H₂O体系中以Cu(NO₃)₂为晶形控制剂采用水热法制备脱硫石膏晶须,探讨了Cu(NO₃)₂对脱硫石膏晶须生长的影响机理。结果表明:Cu(NO₃)₂对脱硫石膏有明显促溶作用,其中Cu²⁺可减小溶液中各离子的活度系数,使溶液中的Ca²⁺浓度增大。NO^-₃通过静电作用在Ca²⁺周围聚集并对SO^2-₄产生屏蔽作用,导致脱硫石膏继续溶解并使Ca²⁺和SO^2-₄的浓度处于相对稳定状态,有利于半水脱硫石膏晶体的形核与生长。此外,Cu²⁺还可在晶须的生长过程中选择性吸附在晶须表面,生成CuSO₄,促进了脱硫石膏的结晶生长,最终在Cu(NO₃)₂用量为2.0%(质量分数)时制备的脱硫石膏晶须长径比约为73。     

Ultrastructural Damages to H1N1 Influenza Virus Caused by Vapor Essential Oils

Influenza viruses are transmitted from human to human via airborne droplets and can be transferred through contaminated environmental surfaces. Some works have demonstrated the efficacy of essential oils (EOs) as antimicrobial and antiviral agents, but most of them examined the liquid phases, which are generally toxic for oral applications. In our study, we describe the antiviral activity of Citrus bergamia, Melaleuca alternifolia, Illicium verum and Eucalyptus globulus vapor EOs against influenza virus type A. In the vapor phase, C. bergamia and M. alternifolia strongly reduced viral cytopathic effect without exerting any cytotoxicity. The E. globulus vapor EO reduced viral infection by 78% with no cytotoxicity, while I. verum was not effective. Furthermore, we characterized the EOs and their vapor phase by the head-space gas chromatography–mass spectrometry technique, observing that the major component found in each liquid EO is the same one of the corresponding vapor phases, with the exception of M. alternifolia. To deepen the mechanism of action, the morphological integrity of virus particles was checked by negative staining transmission electron microscopy, showing that they interfere with the lipid bilayer of the viral envelope, leading to the decomposition of membranes. We speculated that the most abundant components of the vapor EOs might directly interfere with influenza virus envelope structures or mask viral structures important for early steps of viral infection.     

前驱体法制备氮氧化硅纳米线及其光学性能研究

在Ni催化剂的存在下,通过SiCl4的水解氨解反应并在1300℃氨气气氛中进行热氮化处理制得了无定形氮氧化硅纳米线.产物经X射线衍射(XRD)、热重-差示扫描量热(TG-DSC)、扫描电镜(SEM)、透射电镜(TEM)、能量色散谱(EDS)和选区电子衍射(SAED)等表征手段进行分析,结果表明纳米线为无定形结构,直径为100～150nm.在波长为220nm的光激发下,产物的光致发光光谱(PL)在563nm和289nm处分别出现了一个强的绿光发光峰和一个弱的紫光发光峰.对纳米线的生长机理进行分析,表明纳米线的生长遵循气-液-固(VLS)机制控制模式.     

Cu3N薄膜及其研究现状

Cu3N薄膜是近10年来研究的热点材料之一.Cu3N是立方反ReO3结构,理想立方反ReO3结构的一个晶胞中Cu原子占据立方边的中心位置而N原子占据立方晶胞的八个顶点,此结构的体心位置有一较大间隙,Cu原子以及其他原子如Pd、碱金属原子等很有可能进入此位置导致Cu3N的电学性能、光学性能等发生很大的变化,这使得该材料具有很大的潜在应用价值.Cu3N的晶格常数为0.3815nm,密度5.84g/cm3,分子量204.63,颜色呈黑绿色或红褐色,空间点群Pm3m.Cu3N薄膜在室温下相当稳定并且热分解温度较低(300℃左右),热分解前后薄膜的光学反射率有较大差别,这可使Cu3N薄膜用作一次性光记录材料.此外,Cu3N薄膜还可用作在Si片上沉积金属Cu线的缓冲层、低磁阻隧道结的阻挡层、自组装材料的模板等.     

硫缺陷型In2S3光催化剂高效分解水制氢研究

缺陷工程被认为是提高光催化剂分解水制氢性能的关键策略之一,然而有关缺陷诱导半导体材料电子结构演变并增强光生载流子传输机制尚不明确。在本研究中,我们通过简单的一步水热合成法成功构建了富含S缺陷的In2S3半导体光催化剂（VS-In2S3）,在模拟太阳光辐照下其光催化分解水产氢性能相比传统的In2S3（P-In2S3）提升了近一个数量级（达到221.18 μmol/g/h）。此外,利用自主研发的原位X射线光电子能谱（SI-XPS）结合相关密度泛函理论计算证实：S缺陷可诱导强还原性的低价态In（In(3-x)+）暴露,进而增强In位点对H2O的吸附和活化能力,因此,S缺陷型In2S3表现出显著增强的光催化析氢活性。此外,可视化观测到H2O分子在原位光照下脱质子转化为OH的分解水制氢过程。该研究为缺陷型光催化剂设计及光催化分解水反应机制和过程研究提供了一定的见解。     

In Silico Drug Repurposing of FDA-Approved Drugs Highlighting Promacta as a Potential Inhibitor of H7N9 Influenza Virus

Influenza virus infections continue to be a significant and recurrent public health problem. Although vaccine efficacy varies, regular immunisation is the most effective method for suppressing the influenza virus. Antiviral drugs are available for influenza, although two of the four FDA-approved antiviral treatments have resulted in significant drug resistance. Therefore, new treatments are being sought to reduce the burden of flu-related illness. The time-consuming development of treatments for new and re-emerging diseases such as influenza and the high failure rate are increasing concerns. In this context, we used an in silico-based drug repurposing method to repurpose FDA-approved drugs as potential therapies against the H7N9 virus. To find potential inhibitors, a total of 2568 drugs were screened. Promacta, tucatinib, and lurasidone were identified as promising hits in the DrugBank database. According to the calculations of MM-GBSA, tucatinib (−54.11 kcal/mol) and Promacta (−56.20 kcal/mol) occupied the active site of neuraminidase with a higher binding affinity than the standard drug peramivir (−49.09 kcal/mol). Molecular dynamics (MD) simulation studies showed that the C-α atom backbones of the complexes of tucatinib and Promacta neuraminidase were stable throughout the simulation period. According to ADME analysis, the hit compounds have a high gastrointestinal absorption (GI) and do not exhibit properties that allow them to cross the blood–brain barrier (BBB). According to the in silico toxicity prediction, Promacta is not cardiotoxic, while lurasidone and tucatinib show only weak inhibition. Therefore, we propose to test these compounds experimentally against the influenza H7N9 virus. The investigation and validation of these potential H7N9 inhibitors would be beneficial in order to bring these compounds into clinical settings.