Microenvironment-Sensitive Fluorescent Ligand Binds Ascaris Telomere Antiparallel G-Quadruplex DNA with Blue-Shift and Enhanced Emission

The development of small molecules that can selectively target G-quadruplex (G4) DNAs has drawn considerable attention due to their unique physiological and pathological functions. However, only a few molecules have been found to selectively bind a particular G4 DNA structure. We have developed a fluorescence ligand Q1 , a molecular scaffold with a carbazole–pyridine core bridged by a phenylboronic acid side chain, that acts as a selective ascaris telomere antiparallel G4 DNA ASC20 ligand with about 18 nm blue-shifted and enhanced fluorescence intensity. Photophysical properties revealed that Q1 was sensitive to the microenvironment and gave the best selectivity to ASC20 with an equilibrium binding constant K_a=6.04×10⁵ M⁻¹. Time-resolved fluorescence studies also demonstrated that Q1 showed a longer fluorescence lifetime in the presence of ASC20. The binding characteristics of Q1 with ASC20 were shown in detail in a fluorescent intercalator displacement (FID) assay, a 2-Ap titration experiment and by molecular docking. Ligand Q1 could adopt an appropriate pose at terminal G-quartets of ASC20 through multiple interactions including π–π stacking between aromatic rings; this led to strong fluorescence enhancement. In addition, a co-staining image showed that Q1 is mainly distributed in the cytoplasm. Accordingly, this work provides insights for the development of ligands that selectively targeting a specific G4 DNA structure.     

粮仓环境监测系统设计

随着科学技术的发展,粮食行业信息化发展得到了强有力的科技支撑。为满足粮库整体信息化建设的要求,打破"信息孤岛"现状,实现资源整合、数据共享,为大数据分析和数据应用提供数据基础,设计一款能够实时采集粮仓内温湿度、氧气、二氧化碳气体浓度、粮堆高度的数据集成系统。系统采用分层分布式结构,由数据集中器和多种传感器模块组成,数据集中器与各传感器模块间通过RS485总线进行数据通讯,并由数据集中器通过网络专线传输汇总的环境监测数据,通过专用软件进行数据处理和挖掘,从而实现粮仓环境监测和预警等功能。     

China’s ‘old’ and ‘new’ Mekong River politics: the Lancang-Mekong Cooperation from a comparative benefit-sharing perspective

This article analyzes China’s Mekong River politics before and after the establishment of the Lancang-Mekong Cooperation (LMC) from a comparative benefit-sharing perspective. China’s pre-LMC approach focused too much on the creation of economic benefits from and beyond the river while neglecting ecological benefits to the river. Moreover, despite the problems this ‘old’ approach caused for China and its downstream neighbours, China’s current LMC strategy seems to essentially replicate its former approach. While sustainable water resources management is identified as a priority area, actual cooperation and benefit sharing in this field remain insufficient.     

Ex post demand information sharing between differentiated suppliers and a common retailer

We consider ex post demand information sharing in a two-echelon supply chain in which two suppliers sell differentiated products through a common retailer. We model three scenarios of information sharing to characterise the conditions under which information sharing may benefit or hurt different players: (1) no supplier is informed; (2) only one supplier is informed; and (3) both suppliers are informed. We find that the retailer may voluntarily share the low demand information when the product differentiation and demand magnitude satisfy certain conditions. In contrast, the retailer has no incentive to share the high demand information, even though this information benefits the suppliers. To achieve information sharing, we propose a side payment mechanism, which allows benefitted players to subsidise hurtful players. Finally, we extend our model by considering a situation where the suppliers have limited capacity and may invest to ramp up production capacity to satisfy a high demand.     

Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Fake news and COVID-19: modelling the predictors of fake news sharing among social media users

Fake news dissemination on COVID-19 has increased in recent months, and the factors that lead to the sharing of this misinformation is less well studied. Therefore, this paper describes the result of a Nigerian sample (n = 385) regarding the proliferation of fake news on COVID-19. The fake news phenomenon was studied using the Uses and Gratification framework, which was extended by an “altruism” motivation. The data were analysed with Partial Least Squares (PLS) to determine the effects of six variables on the outcome of fake news sharing. Our results showed that altruism was the most significant factor that predicted fake news sharing of COVID-19. We also found that social media users’ motivations for information sharing, socialisation, information seeking and pass time predicted the sharing of false information about COVID-19. In contrast, no significant association was found for entertainment motivation. We concluded with some theoretical and practical implications.     

高压下CL-20拉曼光谱和红外光谱相变研究

为了更好地认识和了解CL-20晶体结构演变规律和相变行为,利用金刚石对顶砧超高压实验技术,在0~50GPa下,研究了高压下ε-CL-20的原位拉曼光谱和红外光谱。结果表明,CL-20晶体在整个加压过程中存在两个相变,第一个相变发生在4.2~7.5GPa,认为是ε相到对称性更低的γ相转变,相变产生的原因是在压强的作用下,笼环外的硝基方向发生改变,电子云密度重置导致的分子构型转变;第二个相变发生在14.2~18.9GPa,属于γ相到ζ相的晶体结构转变;卸压后,拉曼和红外光谱恢复常压状态,表明CL-20晶体在研究压强范围内的相变过程是可逆的。     

How hydrogen-storage material affects the decomposition of nitramine explosive: CPMD investigations of LAB-doped CL20

As the most popular high-energy explosives, 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.0.0] dodecane (Simplified as HNIW or CL20) attracts many attentions for improving its detonation appearance in the application. Here we introduce hydrogen-storage compounds into explosives to estimate the possible improved detonation performances by Car-Parrinello molecular dynamics (CPMD) simulation, where we construct lithium amidoborane (LAB) doped CL20 as the initial structure. Almost all the interactions between hydrogen and CL20 appear exothermic properties, which indicate LAB increases the enthalpies of detonation. The results suggest explosive mixed with hydrogen-storage material is possibly a new field of energetic compound.