Investigation on the Interaction of Dy(Ш)/Rutin Complexes with Bovine Serum Albumin by Spectroscopic Methods

Journal of Solution Chemistry - The interaction between Dy(Ш)/Rutin complexes and bovine serum albumin (BSA) was studied by fluorescence, ultraviolet (UV) absorption, three-dimensional...     

DYNAMIC SIMULATION ANALYSIS OF CAPTURE AND BUFFER SYSTEM BASED ON CLAW-TYPE DOCKING MECHANISM

现有在轨服务的对接机构由于其尺寸大、结构复杂、对接目标单一等局限性因素,无法很好地为后续我国探月工程任务提供有力支撑,且受限于运载能力,对接机构的轻量化也是必不可少的一项环节.为研究可服务于未来月球空间站以及载人登月等高轨道任务的对接机构,设计了一种新型抱爪式对接机构,其采用异体同构周边式构型,可以实现主/被动飞行器之间的互换.利用 V 型槽与爪钩等结构部件实现飞行器对接过程中的捕获以 及能量消耗功能,从而实现两飞行器之间的稳固联接.该对接机构具备尺寸小、重量轻、结构简单、功能易实现等优势. 对其捕获缓冲系统进行了动力学分析,计算了缓冲元器件的参数对其捕获性能的影响,在 ADAMS 完成了数字虚拟样机的建立,结合实际两种典型的对接初始条件工况进行了仿真研究.研究结果表明,两种工况下的对接过程能量消耗满足设计要求,能够以较小的 V 型槽的碰撞力完成捕获,结果证明了捕获缓冲系统的可行性以及该构型对接机构具备较好实现任务的能力.     

An Efficient One-Pot Synthesis of Nitriles from Carboxylic Acids Without Solvent Under Microwave Irradiation

Nitriles were prepared from alkyl and aryl carboxylic acids in dry media conditions, under microwave irradiation. Heating of the carboxylic acid, urea and amidosulfonic acid adsorbed on alumina support in a microwave oven affords nitriles in 20–93% yields.     

Trans-2-Diethylphosphoryloxy-1,3-Pentadiene in The Lewis acid Catalyzed Diels-Alder Reaction

Under stannic chloride catalysis, trans-2-diethylphosphoryloxy-1,3-pentadiene (1) undergoes Diels-Alder reaction regio- and stereoselectively with a variety of α,β-unsaturated ketones at low temperature.     

Intermolecular interactions of formic acid with benzene: Energy decomposition analyses with ab initio MP2 and double‐hybrid density functional computations

The intermolecular interactions of formic acid (HCOOH) with benzene (C₆H₆) have been investigated using localized molecular orbital energy decomposition analyses (LMO‐EDA) with ab initio MP2 and several double‐hybrid density functionals. The molecular geometries of five HCOOH…C₆H₆ complexes and corresponding benchmark total interaction energies at the CCSD(T)/CBS level are taken from literature (Zhao et al., J. Chem. Theory Comput. 2009, 5, 2726). According to the results of LMO‐EDA with the MP2 method, the dispersion energies are found to be as important as the electrostatic energies for the total interaction energies of the five HCOOH…C₆H₆ complexes. Based on LMO‐EDA with the double‐hybrid density functionals of B2PLYP, B2K‐PLYP, B2T‐PLYP, and B2GP‐PLYP computations, two new parameters for the framework of B2PLYP are extrapolated. These two new parameters are tested with other 10 complexes involving C₆H₆ (Crittenden, J. Phys. Chem. A 2009, 113, 1663), and they perform well on predicting the corresponding total interaction energies. Interestingly, these two new parameters for the framework of B2PLYP also perform well on the noncovalent complexation energies database (NCCE31/05) developed by Truhlar's group (Zhao and Truhlar, J. Phys. Chem. A 2005, 109, 5656). Therefore, these two new parameters appear to be suitable for investigating the noncovalent interactions, and they are denoted as B2N‐PLYP, where N stands for the noncovalent interaction. This study is expected to provide new insight into the derivation of double‐hybrid density functionals for studying the noncovalent interactions. © 2013 Wiley Periodicals, Inc.     

A study on the direct electrochemistry and electrocatalysis of microperoxidase-11 immobilized on a porous network-like gold film: Sensing of hydrogen peroxide

We have prepared porous and network-like nanofilms of gold by galvanic replacement of a layer of copper particles acting as a template. The films were first characterized by scanning electron microscopy and X-ray diffraction, and then modified with cysteamine so to enable the covalent immobilization of the enzyme microperoxidase-11. The immobilized enzyme undergoes direct electron transfer to the underlying electrodes, and the electrode displays high electrocatalytic activity towards the reduction of oxygen and hydrogen peroxide, respectively, owing to the largely enhanced electroactive surface of the porous gold film. The detection limit of H₂O₂ is 0.4 μM (3 S/N).

Optimizing Age Penalty in Time-Varying Networks with Markovian and Error-Prone Channel State

In this paper, we consider a scenario where the base station (BS) collects time-sensitive data from multiple sensors through time-varying and error-prone channels. We characterize the data freshness at the terminal end through a class of monotone increasing functions related to Age of information (AoI). Our goal is to design an optimal policy to minimize the average age penalty of all sensors in infinite horizon under bandwidth and power constraint. By formulating the scheduling problem into a constrained Markov decision process (CMDP), we reveal the threshold structure for the optimal policy and approximate the optimal decision by solving a truncated linear programming (LP). Finally, a bandwidth-truncated policy is proposed to satisfy both power and bandwidth constraint. Through theoretical analysis and numerical simulations, we prove the proposed policy is asymptotic optimal in the large sensor regime.     

Exact Recovery of Stochastic Block Model by Ising Model

In this paper, we study the phase transition property of an Ising model defined on a special random graph—the stochastic block model (SBM). Based on the Ising model, we propose a stochastic estimator to achieve the exact recovery for the SBM. The stochastic algorithm can be transformed into an optimization problem, which includes the special case of maximum likelihood and maximum modularity. Additionally, we give an unbiased convergent estimator for the model parameters of the SBM, which can be computed in constant time. Finally, we use metropolis sampling to realize the stochastic estimator and verify the phase transition phenomenon thfough experiments.     

Counter-current flame propagation in a cylindrical bed of activated carbon saturated with artificial volatile matter in an upward flow of O2/N2 mixture

A counter-current flame propagation process, or traverse combustion, in a cylindrical bed packed with activated carbon (AC) saturated with artificial volatiles was studied experimentally to appreciate the effect of homogenous volatile oxidation in the combustion process of packed solid. The experiments were conducted with an upward flow of a 50/50 v/v O₂/N₂ mixture. Flame propagation velocity and total carbon consumption during traverse combustion period, from ignition to the time when the flame propagated to the bed bottom, were determined. Ethanol, isooctane and benzene, were used respectively as the artificial volatile. Results show that compared to the case of AC alone, the flame propagation velocity was reduced while the combustion duration extended in the presence of volatile. The visible gas phase flame due to homogeneous volatile combustion traversed in the opposite direction of the oxidizing gas stream, competing with heterogeneous carbon oxidation for available oxygen. The proportion of oxygen consumed by homogeneous oxidation was the highest for ethanol, up to 87–94%, while isooctane and benzene accounted for 30–65% and 27–63%, respectively. Despite the competing homogeneous volatile combustion, the total amount of carbon consumed in the heterogeneous carbon oxidation was even increased in the cases of isooctane and benzene due to the extended combustion durations and relatively higher proportions of O₂ consumed by heterogeneous carbon oxidation than in the ethanol case.