On the Relative Twist Formula of l-adic Sheaves

We propose a conjecture on the relative twist formula of l-adic sheaves, which can be viewed as a generalization of Kato—Saito's conjecture. We verify this conjecture under some transversal assumptions. We also define a relative cohomological characteristic class and prove that its formation is compatible with proper push-forward. A conjectural relation is also given between the relative twist formula and the relative cohomological characteristic class.     

Sample preparation,instrumental analysis,and natural distribution of complex organic pollutants in the wastewater from unconventional gas production

Large amounts of flowback and produced water (FPW) have been generated from hydraulic fracturing process for the production of unconventional gas such as shale gas. Complex organic pollutants are abundantly present in FPW with revealed toxicity to aquatic organisms and these contaminants may transfer into surrounding aquatic environment. Characterization and determination of complicated organic pollutants in FPW remains a challenge due to its complex composition and high salinity matrix. This review article covers the progress of recent 5 years regarding the sample preparation and instrumental analysis methods and thus summarizes the advantages and disadvantages of these methods for critical analysis of organic contaminants in FPW samples. Furthermore, the natural distribution of detected organic compounds and their transformation were reviewed and discussed to enhance the understanding of spatial and temporal behaviors of these organic pollutants in natural environment, paving the way for future development of pollution control policies and strategies. Enlightened by the studies of FPW contamination in the US, the investigations of FPW contamination in China continued to grow due to rapidly growing production of shale gas in China and resulted pollution.     

Enantioselective Synthesis of Acyclic Stereotriads Featuring Fluorinated Tetrasubstituted Stereocenters

Elaboration of enantioenriched complex acyclic stereotriads represents a challenge for modern synthesis even more when fluorinated tetrasubstituted stereocenters are targeted. We have been able to develop a simple strategy in a sequence of two unprecedented steps combining a diastereoselective aldol-Tishchenko reaction and an enantioselective organocatalyzed kinetic resolution. The aldol-Tishchenko reaction directly generates a large panel of acyclic 1,3-diols possessing a fluorinated tetrasubstituted stereocenter by condensation of fluorinated ketones with aldehydes under very mild basic conditions. The anti 1,3-diols featuring three contiguous stereogenic centers are generated with excellent diastereocontrol (typically >99 : 1 dr). Depending upon the precursors both diastereomers of stereotriads are accessible through this flexible reaction. Furthermore, from the obtained racemic scaffolds, development of an organocatalyzed kinetic resolution enabled to generate the desired enantioenriched stereotriads with excellent selectivity (typically er >95 : 5).     

Design,synthesis and evaluation of novel dehydroabietic acid-dithiocarbamate hybrids as potential multi-targeted compounds for tumor cytotoxicity

In the present study, novel representatives of the important group of biologically-active, dehydroabietic acid-bearing dithiocarbamate moiety, were synthesized and characterized by ¹H NMR, ¹³C NMR, HR-MS. The in vitro antiproliferative activity evaluation (MTT) indicated that these compounds exhibited potent inhibitory activities in various cancer cell lines (HepG-2, MCF-7, HeLa, T-24, MGC-803). Particularly, compound III-b possessed extraordinary cytotoxicity with low micromolar IC₅₀ values ranging from 4.07 to 38.84 µM against tested cancer cell lines, while displayed weak cytotoxicity on two normal cell lines (LO-2 and HEK 293 T). Subsequently, the potential mechanisms of representative compound III-b were elementarily investigated by Transwell experiment, which showed III-b can inhibit cancer cells migration. Annexin-V/PI dual staining showed that the compound can induce HepG-2 cells apoptosis in a dose-dependent manner. Meanwhile this apoptosis may be related to the upregulated protein expression of cleaved-caspase 3, cleaved-caspase 9, Bax and downregulated of Bcl-2 indicated by Western Blot. Later study further confirmed that ROS levels in HepG-2 cells increased significantly with the rise of concentrations. In addition, through the network pharmacology data analyzing, the core targets and signaling pathways of compound III-b for treatment of liver neoplasms were forecasted. Molecular docking model showed that compound III-b had high affinity with hub targets (CASP3, EGFR, HSP90AA1, MAPK1, ERBB2, MDM2), suggesting that compound III-b might target the hub protein to modulate signaling activity. Taken together, these data indicated that dehydroabietic acid structural modification following the “Molecular hybridization” principle is a feasible way to discover the potential multi-targeted antitumor compounds.     

紫色球杆菌视紫红质光谱特性的机器学习研究

近年来，机器学习等人工智能技术被应用于蛋白质工程，其在蛋白质结构、功能预测、催化活性等研究中具有独特优势。在未知蛋白质结构的情况下，将蛋白质序列和功能特性与机器学习相结合，基于序列-活性关系（innovative sequence-activity relationship，ISAR）算法，将蛋白质氨基酸序列数字化，用快速傅里叶变换（fast four transform，FFT）进行预处理，再进行偏最小二乘回归建模，可在数据集较少情况下拟合得到最佳模型。通过机器学习对紫色球杆菌视紫红质（gloeobacter violaceus rhodopsin，GR）的突变体蛋白质氨基酸序列与光谱最大吸收波长进行建模，获得了最佳模型。用最佳索引LEVM760106建模得到的确定系数R² 为0.944，均方误差E为11.64。用小波变换进行的预处理，其R² 虽也约为0.944，但E大于11.64，不及FFT进行的预处理。方法较好地解决了蛋白质序列与功能特性之间的数学建模问题，在蛋白质工程中可为预测更优的突变体提供支持。     

Tolerance factor and phase stability of the garnet structure. Corrigendum

An error in an equation in the paper by Song et al. [ Acta Cryst. (2019), C 75 , 1353–1358 ] is corrected.     

一种非正交对称条带束流位置监测器设计

介绍了一种条带束流位置监测器(BPM)的设计与仿真方法。在国家同步辐射实验室"太赫兹近场高通量材料物性测试系统"工程项目中,针对波荡器出口处真空室非正交对称性的问题,设计了矩形真空室和跑道形真空室下的两种非正交对称性条带BPM,并与传统的圆形真空室下条带BPM进行对比。基于边界元法,利用MATLAB软件分别对三种真空室下的条带BPM进行建模和仿真。仿真结果表明:相对于传统的圆形真空室下条带BPM,矩形和跑道形真空室下条带BPM灵敏度提高了30%,阻抗匹配误差相对降低了20%,束流位置拟合误差降低了80%。考虑加工精度,矩形真空室下的条带BPM更适用于该工程。     

Generating Artificial Reverberation via Genetic Algorithms for Real-Time Applications

We introduce a Virtual Studio Technology (VST) 2 audio effect plugin that performs convolution reverb using synthetic Room Impulse Responses (RIRs) generated via a Genetic Algorithm (GA). The parameters of the plugin include some of those defined under the ISO 3382-1 standard (e.g., reverberation time, early decay time, and clarity), which are used to determine the fitness values of potential RIRs so that the user has some control over the shape of the resulting RIRs. In the GA, these RIRs are initially generated via a custom Gaussian noise method, and then evolve via truncation selection, random weighted average crossover, and mutation via Gaussian multiplication in order to produce RIRs that resemble real-world, recorded ones. Binaural Room Impulse Responses (BRIRs) can also be generated by assigning two different RIRs to the left and right stereo channels. With the proposed audio effect, new RIRs that represent virtual rooms, some of which may even be impossible to replicate in the physical world, can be generated and stored. Objective evaluation of the GA shows that contradictory combinations of parameter values will produce RIRs with low fitness. Additionally, through subjective evaluation, it was determined that RIRs generated by the GA were still perceptually distinguishable from similar real-world RIRs, but the perceptual differences were reduced when longer execution times were used for generating the RIRs or the unprocessed audio signals were comprised of only speech.     

The production of enantiomerically pure 1-phenylethanol by enzymatic kinetic resolution method using response surface methodology

As the enantiomers of 1-phenylethanol are valuable intermediates in several industries, the lipase catalyzed kinetic resolution of (R,S) -1-phenylethanol is a relevant research topic. In this study, the goal was to determine the optimum reaction parameters to produce enantiomerically pure 1-phenylethanol by lipase (Novozyme 435) catalyzed kinetic resolution using response surface methodology (RSM). Reactions were performed with 40–400 mM (R,S)-1-phenylethanol, 120–1200 mM vinyl acetate and 2–22 mg/mL biocatalyst concentrations (BC _L ), at 20–60 °C and with a stirring rate of 50–400 rpm for 5–120 min. The samples were analyzed using high performance liquid chromatography (HPLC) with a Chiralcel OB column. Optimum reaction parameters to reach 100% enantiomeric excess for the substrate ( ee _s ) were determined as follows: substrate concentration (C _s ): 240 mM, BC _L : 11 mg/mL, at 42 °C with a reaction time of 75 min. Model validation was performed using these conditions and ee _s was calculated as 100%, which indicates the predicted model was efficient and accurate. When compared to the literature, it was observed that the reaction time decreased significantly. This is an important result considering the industrial scale perspective.     

Biomolecular Release Stimulated by Electrochemical Signals at a Very Small Potential Applied

DNA release electrochemically stimulated by applying ?10 mV on the modified electrode was studied. The release process was based on the local (interfacial) pH change produced upon H₂O₂ reduction electrocatalyzed by the immobilized microperoxidase‐11. SiO₂ nanoparticles attached to the electrode surface and functionalized with trigonelline and boronic acid species changed their electrical charge from positive to negative upon the interfacial pH change, thus allowing electrostatic adsorption of negatively charged DNA on the positive interface and then its repulsion/release from the negative interface. The loaded/released DNA molecules were labeled with a fluorescent dye to allow easy detection of the released DNA molecules. The important feature of the developed system is the controlled DNA release upon applying very small electrical potential on the modified electrode.