Discovery of novel 1,2,4-triazine-chalcone hybrids as anti-gastric cancer agents via an axis of ROS-ERK-DR5 in vitro and in vivo

In this work, a series of novel 1,2,4-triazine-chalcone hybrids were designed through the molecular hybridization strategy, synthesized by two step chlorinations and further aldol condensation and evaluated their antiproliferative activity against MGC-803, HCT-116, PC-3, EC-109 and A549 cells. Compound 9l displayed significant antiproliferative activity against MGC-803, HCT-116, PC-3, EC-109 and A549 cell lines with IC₅₀ values of 0.41, 0.43, 0.61, 0.78 and 0.52 μM, respectively. Subsequent mechanistic investigations suggested that compound 9l induced the generation of ROS and inhibited the activation of the ERK pathway. Compound 9l induced extrinsic cell apoptosis by up-regulating DR5 dependent on the generation of ROS, while up-regulation of DR5 caused by compound 9l relied on the inhibition of ERK. Thus, compound 9l inhibited the gastric cancer cells via an axis of ROS-ERK-DR5 in vitro. Compound 9l also showed potent activity on cell proliferation inhibition, and was effective in suppressing the growth of MGC-803 xenograft tumor in nude mice without obvious toxicity. Therefore, compound 9l is to be reported as anti-gastric cancer agent in vitro and in vivo via an axis of ROS-ERK-DR5.     

Discovery of quality markers for Mailuoshutong Pill based on “spider web” mode of “Content-Pharmacokinetics-Pharmacology” network

Mailuoshutong pill (MLSTP) is a traditional Chinese medicine compound preparation used for the treatment of thromboangiitis obliterans. However, component responsible for those effects are not yet identified, nor with their accurate contents and in-vivo movement, which means the quality markers of MLSTP are still unknown. The aim of this study was to discovery quality markers of MLSTP by developing a new multi-dimensional network strategy based on “Content-Pharmacokinetics-Pharmacology”. 40 analytes were determined by UHPLC-MS/MS in 8 min and the average contents in 11 batches of commercial MLSTP samples were used as the content dimension, the pharmacokinetics and pharmacology dimension were evaluated by five variables based on ADME Prediction and Prediction of Activity Spectra. Each dimension of the characteristic network was quantified by multivariate statistical analysis, and a three-dimensional network was constructed. Finally, Liquiritin, Calycosin-7-glucoside and Albiflorin with larger regression area were preferred as quality markers of MLSTP, which had satisfactory comprehensive properties of content, pharmacokinetic properties and pharmacological activity. In summary, the potential quality markers of MLSTP were identified by multi-dimensional characteristic network of content, pharmacokinetics and pharmacology. Also, the new strategy established in this work provided a valuable perspective for the selection of quality control indicators from compound formula.     

Ito游程理论与一般Markov链的平稳分布

在本文中,我们利用Ito游程理论给出一般Markov链的平稳分布,该公式包含了极小过程中断和含瞬时态的情形。最后我们给出一个含瞬时态的Markov链的计算例子。     

严和店窑汝瓷和钧台窑钧官瓷的EDXRF分析

采用能量色散X射线荧光（EDXRF）技术测试了若干严和店窑汝瓷和钧台窑钧官瓷样品胎和釉的化学组成, 利用多元统计中的因子分析方法分析了两窑场胎和釉的差异。结果表明:严和店窑汝瓷和钧台窑钧官瓷能较好地加以区分。再次证明了钧瓷和汝瓷是有区别的。 The chemical components of the body and glaze samples of some Ru porcelains from Yanhedian kiln and Jun official porcelains from Juntai kiln are determined by the technology of Energy Dispersive X ray Fluorescence(EDXRF) in this work. The difference of the two kiln’s glaze and body are analyzed by factor analysis method of Multi dimensional statistical analysis. The results indicate that Yanhedian Ru porcelains can be well distinguished from Jun official porcelains from Juntai kiln. This evidence once again proves that Jun ceramics and Ru ceramics can be distinguished obviously.     

河南固始侯古堆一号墓出土东周玉器的科技分析

古代玉器不仅是装饰品,其中还蕴藏着丰富的文化内涵。为探究春秋时期河南地区出土玉器在矿物属性、制作工艺、器物功能等之间存在的关系,选取了河南固始侯古堆一号墓（M1）出土的10件玉器,应用X射线荧光光谱（XRF）、共焦显微激光拉曼光谱（LRS）、超景深光学显微系统等光学无损分析技术,结合扫描电子显微镜（SEM）和硅胶覆膜技术对其进行了综合性分析。首先通过光谱信息获知样品的化学成分和物相结构,对样品进行了基本的矿物学表征,明确其矿物种类;再利用超景深光学显微镜对样品进行观察,利用硅胶覆膜技术复刻出样品中典型的钻孔痕、切割痕和阴刻痕,并进行二次观察和测量,综合判断出其加工工艺,并统计了刻痕深度、切口角度、浅浮雕高度等相关数据。结果表明：此玉器的矿物种类包括透闪石和云母两种,透闪石质的样品多为礼器,云母质的样品为葬玉。从阴刻工艺、钻孔工艺、切割及打磨工艺和其他特殊工艺这四方面对加工工艺进行了分析,阴刻加工工具分为手持硬质工具和砣具两种,此批样品中以砣具为主;总结了两种不同加工工具雕刻产生的阴线在表面痕迹、切口角度和刻痕深度中的规律性变化;钻孔方式均为双面对钻,钻孔工具均为实心钻具,部分样品钻孔时添加了解玉砂;多数样品经过了打磨抛光,对其中一件未完全加工完成的样品开片痕迹进行了分析,判断所用开片工具为硬质片状工具。另外对其他特殊加工工艺进行探讨,讨论了两种浅浮雕工艺的差异,以及实心钻定位技术在掏膛工艺中的应用。上述结果说明古代玉器制作工艺的选择受玉料矿物属性和玉器器型功能的影响,并结合已有研究结果,探讨了春秋末年中原地区治玉过程中玉料的来源、墓主生活年代及片切割工具的变革等问题。     

Carbon materials for high-performance lithium-ion capacitor

As new-generation electrochemical energy-storage systems, lithium-ion capacitors (LICs) have combined the advantages of both lithium-ion batteries and supercapacitors, manifesting the merits of high-energy density under power density. Triggered by outstanding physicochemical characteristics and two different charge-storage mechanisms (including the Li⁺ insertion and electric double-layer capacitor characteristics), carbon materials have been intensively studied for fabricating high-performance LICs. However, the construction of high-performance LICs have been greatly limited by the unbalanced capacity and kinetic imbalance between the sluggish ion diffusion process of anode and fast electrostatic accumulation behavior of cathode. Thus, aimed at improving two different electrochemical storage performances, rational design of carbon materials has been summarized in this short review, which provide the directional guidance for engineering optimized carbon electrodes and become a breakthrough for improving energy/power densities of LICs. Furthermore, the prospects and unresolved scientific issues of LICs are also proposed.     

Synthesis,characterization, and crystal structure of one zinc(II) complex with 4-Hydroxypyridine-2,6-Dicarboxylic acid and 4,4′-bipyridine

A new zinc(II) coordination polymer, {[Zn(HCAM)(4,4′-Bipy)_0.5] · H₂O} _n (I) (H₃CAM = 4-hydroxypyridine-2,6-dicarboxylic acid; 4,4′-Bipy = 4,4′-bipyridine), has been synthesized by hydrothermal reaction of Zn(OAc)₂, H₃CAM and 4,4′-Bipy. It has been structurally characterized by element analysis, IR-spectra. X-ray single-crystal analysis was carried out for I (CIF file CCDC no. 974199), which crystallizes in the orthorhombic system, space group Pbca. The single X-ray diffraction studies reveal that I shows a new 2D wave-like plane with 3-connected net. Furthermore, the thermal stability of compound I was studied.     

MP2 study on the hydrogen-bonding interaction between 5-fluorouracil and DNA bases: A,C,G,T

The 5-fluorouracil is a pyrimidine analog effective in the treatment of cancer. In this work, we present the hydrogen-bonding base pairs involving 5-FU bound to the four bases in DNA: adenine, cytosine, guanine, and thymine. Full geometry optimizations have been performed for the studied complexes by MP2 method. The interaction energies were corrected for the basis-set superposition error, using the full Boys-Bernardi counterpoise correction scheme. Hydrogen-bonding patterns of these base pairs were characterized using NBO analysis and AIM analysis. According to the calculated binding energies and structural parameters, the stability of the base pairs decrease in the following order: 5-FU:A > 5-FU:G > 5-FU:T > 5-FU:C.     

Platinum Metallacycle-Based Molecular Recognition: Establishment and Application in Spontaneous Formation of a [2]Rotaxane with Light-Harvesting Property

Macrocyclic molecule-based host–guest systems, which provide contributions for the design and construction of functional supramolecular structures, have gained increasing attention in recent years. In particular, platinum(II) metallacycle-based host–guest systems provide opportunities for chemical scientists to prepare novel materials with various functions and structures due to the well-defined shapes and cavity sizes of platinum(II) metallacycles. However, the research on platinum(II) metallacycle-based host–guest systems has been given little attention. In this article, we demonstrate the host–guest complexation between a platinum(II) metallacycle and a polycyclic aromatic hydrocarbon molecule, naphthalene. Taking advantage of metallacycle-based host–guest interactions and the dynamic property of reversible Pt coordination bonds, a [2]rotaxane is efficiently prepared by employing a template-directed clipping procedure. The [2]rotaxane is further applied to the fabrication of an efficient light-harvesting system with multi-step energy transfer process. This work comprises an important supplement to macrocycle-based host–guest systems and demonstrates a strategy for efficient production of well-defined mechanically interlocked molecules with practical values.     

求解二维时谐Maxwell方程的一种混合有限元新格式

本文,我们提出一种新的求解二维时谐Maxwell方程的H~1-协调节点连续混合有限元格式.由于加上若干稳定化项和投影项,得到的混合变分形式是稳定的.我们证明了双线性形式满足连续性,K_h-强制性和Inf-Sup条件,因此,解是存在唯一的.此外,我们也给出了拟优的误差估计和相应的收敛阶.