Hα Emission Imaging during Supersonic Molecular Beam Injection by CCD Photograph

There are several fuelling methods for tokamak plasma： pellet injection （PI）, gas puffing （GP）, neutral beam injection （NBI） and supersonic molecular beam injection （SMBI） .SMBI has been created in the Southwestern Institute of Physics, China.     

Hydrogen peroxide-generating nanomedicine for enhanced chemodynamic therapy

Chemodynamic therapy(CDT) is an emerging endogenous stimulation activated tumor treatment approach that exploiting iron-containing nanomedicine as catalyst to convert hydrogen peroxide(H_2O_2)into toxic hydroxyl radical(·OH) through Fenton reaction.Due to the unique characteristics(weak acidity and the high H_2O_2 level) of the tumor microenvironment,CDT has advantages of high selectivity and low side effect.However,as an important substrate of Fenton reaction,the endogenous H_2O_2 in tumor is still insufficient,which may be an important factor limiting the efficacy of CDT.In order to optimize CDT,various H_2O_2-generating nanomedicines that can promote the production of H_2O_2 in tumor have been designed and developed for enhanced CDT.In this review,we summarize recently developed nanomedicines based on catalytic enzymes,nanozymes,drugs,metal peroxides and bacteria.Finally,the challenges and possible development directions for further enhancing CDT are prospected.     

Boosting the synthesis of value-added aromatics directly from syngas via a Cr2O3 and Ga doped zeolite capsule catalyst

Even though the transformation of syngas into aromatics has been realized via a methanol-mediated tandem process, the low product yield is still the bottleneck, limiting the industrial application of this technology. Herein, a tailor-made zeolite capsule catalyst with Ga doping and SiO₂ coating was combined with the methanol synthesis catalyst Cr₂O₃ to boost the synthesis of value-added aromatics, especially para-xylene, from syngas. Multiple characterization studies, control experiments, and density functional theory (DFT) calculation results clarified that Ga doped zeolites with strong CO adsorption capability facilitated the transformation of the reaction intermediate methanol by optimizing the first C–C coupling step under a high-pressure CO atmosphere, thereby driving the reaction forward for aromatics synthesis. This work not only reveals the synergistic catalytic network in the tandem process but also sheds new light on principles for the rational design of a catalyst in terms of oriented conversion of syngas.

The single-pass conversion of syngas into para-xylene was realized using a bifunctional catalyst Cr₂O₃/Ga-ZSM-5@SiO₂. The Ga species facilitates the methanol consumption process by C–C coupling optimization, enhancing the yield of the target aromatics.     

Determination of trace silver by solid substrate room temperature phosphorescence quenching method based on lead carboxymethyl cellulose particles (Pb(CMC)2) containing luminescent salicyl fluorenes molecules

Luminescent particles of lead carboxymethyl cellulose (Pb(CMC)2) containing salicyl fluorones (THBF), Pb(CMC)2-THBF were synthesized by the sol-gel method, using sodium carboxymethyl cellulose (NaCMC) as precursor and Pb2+ as precipitant. Pb(CMC)2-THBF can emit the intense and stable solid substrate room temperature phosphorescence (SS-RTP) on filter paper. And EDTA can chelate Pb2+ in Pb(CMC)2-THBF, causing it to decompose into aqueous soluble components PbY2-, CMC- and THBF, which can react with Ag+ to form Ag(CMC)2-THBF, causing the decrease of phosphorescence intensity. Based on the facts above, a new method for the determination of trace silver by SS-RTP quenching method was established. The linear range of this method is 8.0-40.0 fg spot(-1) (20.0-100.0 pg ml(-1)), with a detection limit (LD) of 2.2 fg spot(-1) (corresponding to a concentration range of 5.5 x 10(-13) g ml(-1)), and the regression equation of working curve is DeltaI(p) = 12.56 + 0.5527C(Ag+) (fg spot(-1), 0.4 microl spot(-1)), n = 8, r = 0.9992. This method has been applied to the determination of trace silver in human hair and tea sample with satisfactory results. The mechanism of SS-RTP emission is also discussed.     

Importance of van der Waals Interactions in QM/MM Simulations

The importance of accurately treating van der Waals interactions between the quantum mechanical (QM) and molecular mechanical (MM) atoms in hybrid QM/MM simulations has been investigated systematically. First, a set of van der Waals (vdW) parameters was optimized for an approximate density functional method, the self-consistent charge-tight binding density functional (SCC-DFTB) approach, based on small hydrogen-bonding clusters. The sensitivity of condensed phase observables to the SCC-DFTB vdW parameters was then quantitatively investigated by SCC-DFTB/MM simulations of several model systems using the optimized set and two sets of extreme vdW parameters selected from the CHARMM22 forcefield. The model systems include a model FAD molecule in solution and a solvated enediolate, and the properties studied include the radial distribution functions of water molecules around the solute (model FAD and enediolate), the reduction potential of the model FAD and the potential of mean force for an intramolecular proton transfer in the enediolate. Although there are noticeable differences between parameter sets for gas-phase clusters and solvent structures around the solute, thermodynamic quantities in the condensed phase (e.g., reduction potential and potential of mean force) were found to be less sensitive to the numerical values of vdW parameters. The differences between SCC-DFTB/MM results with the three vdW parameter sets for SCC-DFTB atoms were explained in terms of the effects of the parameter set on solvation. The current study has made it clear that efforts in improving the reliability of QM/MM methods for energetical properties in the condensed phase should focus on components other than van der Waals interactions between QM and MM atoms.     

Preparation of graphene platelet-Ru(phen) 3 2+ assemblies and their application in electrochemiluminescence detection

Graphene platelet (GP)-Ru(phen) ₃ ²⁺ assembles have been prepared through self-assembly of poly sodium styrenesulfonate (PSS) functionalized GPs and Ru(phen) ₃ ²⁺ driven by electrostatic attraction interactions in aqueous solution. The resultant assembled GP-Ru(phen) ₃ ²⁺ hybrid structure modified electrode exhibits excellent electrochemiluminescence (ECL) behaviors because of the ECL active species Ru(phen) ₃ ²⁺ contained therein.     

纳米结构钛酸盐电极快速测定水体COD

分析了纳米结构钛酸盐电极快速测定COD的基本原理及COD标准物质定值方法。通过对纳米结构钛酸盐表征分析,钠型钛酸盐电极具有较高的灵敏度,外加0.7 V工作电位,测定COD溶液标准物质的线性相关系数大于0.995,误差在±8%以内;与国标方法比较,测量同一水样的误差在±15%以内。纳米结构钛酸盐电极可用于测量水体COD。     

Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models

Dual-specific tyrosine phosphorylation regulated kinase 1 (DYRK1A) has been regarded as a potential therapeutic target of neurodegenerative diseases, and considerable progress has been made in the discovery of DYRK1A inhibitors. Identification of pharmacophoric fragments provides valuable information for structure- and fragment-based design of potent and selective DYRK1A inhibitors. In this study, seven machine learning methods along with five molecular fingerprints were employed to develop qualitative classification models of DYRK1A inhibitors, which were evaluated by cross-validation, test set, and external validation set with four performance indicators of predictive classification accuracy (CA), the area under receiver operating characteristic (AUC), Matthews correlation coefficient (MCC), and balanced accuracy (BA). The PubChem fingerprint-support vector machine model (CA = 0.909, AUC = 0.933, MCC = 0.717, BA = 0.855) and PubChem fingerprint along with the artificial neural model (CA = 0.862, AUC = 0.911, MCC = 0.705, BA = 0.870) were considered as the optimal modes for training set and test set, respectively. A hybrid data balancing method SMOTETL, a combination of synthetic minority over-sampling technique (SMOTE) and Tomek link (TL) algorithms, was applied to explore the impact of balanced learning on the performance of models. Based on the frequency analysis and information gain, pharmacophoric fragments related to DYRK1A inhibition were also identified. All the results will provide theoretical supports and clues for the screening and design of novel DYRK1A inhibitors.     

10 Gb/s光纤通信系统一阶偏振模色散动态补偿系统反馈控制的实现

在偏振模色散(PMD)自动补偿技术中,如何根据反馈信号得到相应的控制信号,使补偿速度跟随偏振模色散变化始终是该技术的一个核心问题。提出了一种新颖的自适应抖动跟踪算法,完成了以微波信号为反馈的多自由度的一阶偏振模色散自动反馈补偿系统的跟踪补偿实验。算法成功地解决了传统算法在跟踪搜索过程中易陷入局部极值的问题,有效地克服了系统中的重要控制器件偏振控制器的磁滞现象以及动态补偿时跟踪搜索过程中易出现的瞬间恶化现象。实验结果表明该算法在对出现突发偏振模色散扰动后自动进行补偿的响应速度在ms量级,最快能达到1~2 ms。     

Gypensapogenin H from hydrolyzate of total Gynostemma pentaphyllum saponins induces apoptosis in human breast carcinoma cells

Abstract

Gypensapogenin H (Gyp H) is a novel dammarane-type triterpene, isolated from hydrolyzate of total saponins from Gynostemma pentaphyllum. Our previous work demonstrated that Gyp H exhibited potent growth inhibitory effects on tumor cells. It significantly inhibited the growth of human breast cancer cells (MDA-MB-231), while having low toxicity to normal human breast epithelial cells, MCF-10a. Further mechanistic study demonstrated that Gyp H decreased survival, inhibited proliferation, migration, induced apoptosis and led to cell cycle arrest. For the MDA-MB-231 cell lines, Gyp H increased expression of P21, Bax and cytochrome c, induced PARP cleavage and activated caspases. Gyp H also reduced expression of CDK2/4, CyclinD1, E2F1 and Bcl2, which associated with the cell cycle arrest. Thus, our finding may be useful for understanding the mechanism of action of Gyp H on breast cancer cells and suggest that Gyp H would be a leading agent for the treatment of breast cancer.