超短强激光脉冲激励甲烷团簇的内电离机理

采用三维粒子动力学模拟方法研究了甲烷团簇在超短强激光脉冲激励下的爆炸动力学行为,重点讨论了几种典型的内电离机理对团簇爆炸过程中离子的价态和动能的影响.研究表明,在激光脉冲强度比较小的情况下,团簇中的原子主要是在光场作用下通过隧道电离的方式发生电离.当激光场进一步增强时,势垒压低电离是电离的主要方式.在相同的较高激光强度下,团簇更容易通过势垒压低电离达到高的电离价态.团簇发生电离后,其内部库仑电场的点火电离效应和内部滞留自由电子的碰撞电离效应也将增强团簇的再次电离过程.

High Performance Liquid Chromatography-Electrospray Ionization-Mass Spectrometric Analysis of Bilobalide and Ginkgolides in Ginkgo biloba L. Leaves

The ginkgo terpenoids including bilobalide and ginkgolides are the main pharmaceutical components in the leaves or extracts of Ginkgo biloba L. In this paper, the analysis of bilobalide and ginkgolides in leaves of Ginkgo biloba L. by high performance liquid chromatography (HPLC)-electrospray ionization (ESI)-mass spectrometry (MS) was carried out. The separation was performed on Inertsil ODS3 column with methanol-water (36:64) as mobile phase, with 1 mL·min -1 of flow rate at 35℃. Then the mass spectrum analysis was conducted by ZMD micromass electrospray ionization (ESI)-mass spectrometer (MS). The HPLC total ion chromatogram and selected ion chromatogram (with 325, 407, 423, 439 of m/z) of the sample and ESI-/MS mass spectra of the peaks in the chromatograms were obtained. So bilobalide, ginkgolide A, B, C and J in Ginkgo biloba L. leaves were identified. The method is easy and rapid, with a good accuracy.

Synthesis of Schiff Base Bearing Phenolic Hydroxy Group and Its Anion Recognition

A new anion receptor bearing phenolic hydroxy group based on 3,5- ditertbutylsalicylaldehyde-p-nitrophenylhydrazone （1） was designed and synthesized. Upon addition of AcO- and F-, the receptor exhibited visible color changes from deep yellow to purple. However, no obvious color changes were observed on addition of the other anions tested （H2PO4-, Cl-, Br-, I-）. The binding properties of the receptor with anions such as AcO and F- were investigated by UV-Vis and fluorescent titrations. The result indicated that the receptor 1 had a higher affinity to AcO- and F- and a 1：1 host-guest complex was formed through H-bond interactions between 1 and anions.

Enhancing an internal electric field by a solid solution strategy for steering bulk-charge flow and boosting photocatalytic activity of Bi_(24)O_(31)Cl_(x)Br_(10-x)

Constructing bismuth oxyhalide solid solutions with a single homogeneous phase have intrigued the research community;however,a deeper understanding of the intrinsic origin for improved bulk-charge separation is still unclear.Herein,a series of Bi_(24)O_(31)Cl_(x)Br_(10-x) solid solutions with the same structural characteristics were synthesized by crystal structure regulation.Combining density functional theory calculation,Kelvin probe force microscopy,and zeta potential testing results,an enhanced internal electric field(IEF)intensity between[Bi_(24)O_(31)]and[X]layers was achieved by changing halogen types and ratios.This greatly facilitated bulk-charge separation and transfer efficiency,which is significant for the degradation of phenolic organic pollutants.Owing to the enhanced IEF intensity,the charge carrier density of Bi_(24)O_(31)Cl_(4)Br_(6) was 33.1 and 4.7 times stronger than that of Bi_(24)O_(31)Cl_(10) and Bi_(24)O_(31)Br_(10),respectively.Therefore,Bi24O31Cl4Br6 had an optimal photoactivity for the degradation of bisphenol A,which was 6.21 and 2.71 times higher than those of Bi_(24)O_(31)Cl_(10) and Bi_(24)O_(31)Br_(10),respectively.Thus,this study revealed the intrinsic mechanism of the solid solution strategy for photocatalytic performance enhancement with respect to an IEF.

Intraparticle Charge Delocalization through Conjugated Metal-Ligand Interfacial Bonds:Effects of Metal d Electrons

Intraparticle charge delocalization occurs when metal nanoparticles are functionalized with organic capping ligands through conjugated rnetal-ligand interfacial bonds. In this study, metal nanoparticles of 5d metals （Ir, Pt, and Au） and 4d metals （Ru, Rh, and Pd） were prepared and capped with ethynylphenylacetylene and the impacts of the number of metal d electrons on the nanoparticle optoelectronic properties were examined. Both FTIR and photoluminescence measurements indicate that intraparticle charge delocalization was en- hanced with the increase of the number of d electrons in the same period with palladium being an exception.

Targeting voltage-gated sodium channels for treatment for chronic visceral pain

Voltage-gated sodium channels (VGSCs) play a fundamental role in controlling cellular excitability,and their abnormal activity is related to several pathological processes,including cardiac arrhythmias,epilepsy,neurodegenerative diseases,spasticity and chronic pain.In particular,chronic visceral pain,the central symptom of functional gastrointestinal disorders such as irritable bowel syndrome,is a serious clinical problem that affects a high percentage of the world population.In spite of intense research efforts and after the dedicated decade of pain control and research,there are not many options to treat chronic pain conditions.However,there is a wealth of evidence emerging to give hope that a more refined approach may be achievable.By using electronic databases,available data on structural and functional properties of VGSCs in chronic pain,particularly functional gastrointestinal hypersensitivity,were reviewed.We summarize the involvement and molecular bases of action of VGSCs in the pathophysiology of several organic and functionalgastrointestinal disorders.We also describe the efficacy of VGSC blockers in the treatment of these neurological diseases,and outline future developments that may extend the therapeutic use of compounds that target VGSCs.Overall,clinical and experimental data indicate that isoform-specific blockers of these channels or targeting of their modulators may provide effective and novel approaches for visceral pain therapy.

In vivo skin penetration and metabolic path of quantum dots

The skin is the largest organ of the body and is a potential route of exposure to sunscreens and cosmetics containing nanoparticles; however, the permeability of the skin to these nanoparticles is currently unknown. In this paper, we studied the transderreal delivery capacity through mouse skin of water-soluble CdSeS quantum dots （QDs） and the deposition of these QDs in the body. QD solution was coated onto the dorsal hairless skin of male ICR mice. Fluorescence microscopy and transmission electron microscopy （TEM） were used to observe the distribution of QDs in the skin and organs, and inductively coupled plasma-mass spectrometry （ICP-MS） was used to measure the 111Cd content to indicate the concentration of QDs in plasma and organs. Experimental results indicate that QDs can penetrate into the dermal layer and are limited to the uppermost stratum corneum layers and the hair follicles. Through blood circulation, QDs deposit mostly in liver and kidney and are difficult to clear, 111Cd concentration was greater than 14 ng g-1 in kidney after 120 h after 0.32 nmol QDs was applied to a mouse. These results suggest that QDs have in vivo transdermal delivery capacity through mouse skin and are harmful to the liver and kidney.

Distribution, occurrence and enrichment causes of gallium in coals from the Jungar Coalfield, Inner Mongolia

We collected eleven bench samples of No. 6 coal from the Heidaigou Surface Mine, Jungar Coalfield, Inner Mongolia, China, and four samples from the affiliated coal preparation plant. Based on these samples, we used inductively coupled-plasma mass spectroscopy, X-ray diffraction, scanning electron microscope with an energy-dispersive X-ray spectrometer techniques, and borehole exploration data, to investigate the distribution, occurrence and enrichment causes of gallium （Ga） in the coals. Our results show： （1） Gallium is significantly enriched in the coal seams from the study area, with an average content of 18.8-26.0 ppm. Gallium is distributed heterogeneously in the coals, and reaches ore-forming scales only in No. 6 coal of Heidaigou Surface Mine, not in the other mining districts of Jungar Coalfield. （2） On the horizontal plane, Ga is enriched in the main minable coals from the northern and middle part of the coalfield. In the vertical profile, Ga content in the coal seams is higher at the base of Taiyuan Formation （Nos. 8 and 9） and Shanxi Formation （Nos. 3 and 4） than at the top of the Taiyuan Formation. Within the identical coal seam, Ga content is higher in the benches near the roof and floor than in the middle section. （3） Gallium in the coals is associated mainly with kaolinite and boehmite. Additionally, Ga may be adsorbed to some extent by humic acid, resulting in a high level in weathering coal. （4） Geological factors affect Ga enrichment in coal, such as the prop- erty of parent rocks in the source area, the sedimentary environment, organic matter, structure, and past magmatic hydrothermal activity. Especially, Ga content in parent rocks plays a leading role. （5） The mobility and precipitation of trace elements like Ga are controlled principally by the geochemical behavior of the major element A1. Terrestrial and transgressive environments can cause the precipitation of bauxite, whereas marine-continental depositional environments may cause the separation of Ga from A1. In addition, Ga may migrate in the form of gas tively enriched in high-volatile coal. and may be affected by the ground temperature. Thus, it is relatively enriched in high-volatile coal.

Theoretical study of thiourea derivatives as chemosensors for fluoride and acetate anions

The different interactions between a chemosensor, 1-（naphthalen-2-yl）-3-（6-nitrobenzothiazol-2-yl）-thiourea （1）, and F, acetate （AcO-）, Cl-, and Br- anions have been investigated theoretically at the B3LYP/6-31＋G（d,p） level with the basis set superposition error （BSSE） correction. It was found that the high selectivity of compound 1 for F- can be ascribed to the ability of the anion to deprotonate the N-H fragment of the host sensor, while the chemosensor also has a strong affinity for AcO- by virtue of the formation of a hydrogen-bonded complex. Intramolecular charge transfer （ICT） causes the colorimetric signaling of compound 1 after interaction with F-/AcO. A study of substituent effects suggested that the O/NH- and O/S-substituted derivatives are also expected to be promising candidates for chromogenic F3AcO chemosensors.