Structure and further fragmentation of significant [a3 + Na − H]+ ions from sodium‐cationized peptides

A good understanding of gas‐phase fragmentation chemistry of peptides is important for accurate protein identification. Additional product ions obtained by sodiated peptides can provide useful sequence information supplementary to protonated peptides and improve protein identification. In this work, we first demonstrate that the sodiated a₃ ions are abundant in the tandem mass spectra of sodium‐cationized peptides although observations of a₃ ions have rarely been reported in protonated peptides. Quantum chemical calculations combined with tandem mass spectrometry are used to investigate this phenomenon by using a model tetrapeptide GGAG. Our results reveal that the most stable [a₃ + Na ? H]⁺ ion is present as a bidentate linear structure in which the sodium cation coordinates to the two backbone carbonyl oxygen atoms. Due to structural inflexibility, further fragmentation of the [a₃ + Na ? H]⁺ ion needs to overcome several relatively high energetic barriers to form [b₂ + Na ? H]⁺ ion with a diketopiperazine structure. As a result, low abundance of [b₂ + Na ? H]⁺ ion is detected at relatively high collision energy. In addition, our computational data also indicate that the common oxazolone pathway to generate [b₂ + Na ? H]⁺ from the [a₃ + Na ? H]⁺ ion is unlikely. The present work provides a mechanistic insight into how a sodium ion affects the fragmentation behaviors of peptides. Copyright © 2015 John Wiley & Sons, Ltd.     

Micromotor‐Based Energy Generation

A micromotor‐based strategy for energy generation, utilizing the conversion of liquid‐phase hydrogen to usable hydrogen gas (H₂), is described. The new motion‐based H₂‐generation concept relies on the movement of Pt‐black/Ti Janus microparticle motors in a solution of sodium borohydride (NaBH₄) fuel. This is the first report of using NaBH₄ for powering micromotors. The autonomous motion of these catalytic micromotors, as well as their bubble generation, leads to enhanced mixing and transport of NaBH₄ towards the Pt‐black catalytic surface (compared to static microparticles or films), and hence to a substantially faster rate of H₂ production. The practical utility of these micromotors is illustrated by powering a hydrogen–oxygen fuel cell car by an on‐board motion‐based hydrogen and oxygen generation. The new micromotor approach paves the way for the development of efficient on‐site energy generation for powering external devices or meeting growing demands on the energy grid.     

A High‐Voltage and Ultralong‐Life Sodium Full Cell for Stationary Energy Storage

Recently, there has been great interest in developing advanced sodium‐ion batteries for large‐scale application. Most efforts have concentrated on the search for high‐performance electrode materials only in sodium half‐cells. Research on sodium full cells for practical application has encountered many problems, such as insufficient cycles with rapid capacity decay, low safety, and low operating voltage. Herein, we present a layered P2‐Na_0.66Ni_0.17Co_0.17Ti_0.66O₂, as both an anode (ca. 0.69 V versus Na⁺/Na) and as a high‐voltage cathode (ca. 3.74 V versus Na⁺/Na). The full cell based on this bipolar electrode exhibits well‐defined voltage plateaus near 3.10 V, which is the highest average voltage in the symmetric cells. It also shows the longest cycle life (75.9 % capacity retention after 1000 cycles) in all sodium full cells, a usable capacity of 92 mAh g^?1, and superior rate capability (65 mAh g^?1 at a high rate of 2C).     

Sodium‐Naphthalenide‐Driven Synthesis of Base‐Metal Nanoparticles and Follow‐up Reactions

Mo⁰, W⁰, Fe⁰, Ru⁰, Re⁰, and Zn⁰ nanoparticles—essentially base metals—are prepared as a general strategy by a sodium naphthalenide ([NaNaph])‐driven reduction of simple metal chlorides in ethers (1,2‐dimethoxyethane (DME), tetrahydrofuran (THF)). All the nanoparticles have diameters ≤10 nm, and they can be obtained either as powder samples or long‐term stable suspensions. Direct follow‐up reactions (e.g., Mo⁰+S₈, FeCl₃+AsCl₃, ReCl₅+MoCl₅), moreover, allow the preparation of MoS₂, FeAs₂, or Re₄Mo nanoparticles of similar size as the pristine metals (≤10 nm).     

硼酸钾做润滑油添加剂的抗磨性能之研究

作者利用Shell-Seta四球试验机研究了白油中所含硼酸钾的抗磨特性,以及分散刘中性烷基苯磺酸钙对硼酸钾抗磨性能的影响,并且利用X-射线光电子能谱仪(XPS)和俄歇电子能谱仪(AES)考察了摩擦表面的元素组成及硼元素的价态。结果表明,含硼酸钾的白油能够在摩擦表面形成含硼酸钾的表面膜而具有较好的抗磨性,硼在摩擦表面膜中以硼酸钾的形式存在,分散剂烷基苯磺酸钙会影响硼酸钾沉积腆的形成及其与金属表面的结合强度而降低抗磨性能。     

On the Validity of Darcy's Law for Stable High-Concentration Displacements in Granular Porous Media

Recently, it has been suggested that Darcy's Law might not be applicable for modelling miscible, density-dependent flow in porous media. To investigate this, three sets of careful laboratory column experiments were performed on coarse and medium sands, consisting of upward displacement of water by sodium chloride solutions with concentrations ranging from 5 to 200g/l. Data on salt concentrations and water pressures were collected in horizontal transects along the flow direction. Salt concentration data were also collected in the influent and exit lines. The experimental data were analysed using a simplified approach based on Darcy's Law alone, applied with the assumption of a sharp interface. Darcy's Law was used to estimate porous medium permeability by fitting predictions to experimental data. Consistent estimates of permeability were obtained for each set of experiments. The results indicate that Darcy's Law adequately describes high concentration displacements through saturated coarse- and medium-grained porous media.     

LIF技术测量浓度场的影响因素分析

本文研究了作为示踪剂的荧光素钠的谱图，测定了荧光素钠在蒸馏水和普通自来水中的吸光系数，估算了荧光分子的平均寿命。最后，详细分析了浓度、激光功率、温度、ｐＨ值和截止滤光片对荧光强度的影响。     

Molecular chaperone-like properties of sodium caseinate to suppress the pressure-induced aggregation of β-lactoglobulin

ABSTRACT

The objective of this study was to determine whether sodium caseinate can inhibit the aggregation of whey protein induced by pressure treatment. Solutions of β-lactoglobulin (β-Lg, 0.2%, w/v) and mixtures containing 0.2% (w/v) β-Lg and 0–0.5% (w/v) sodium caseinate (NaCas) were pressurized at 400–800?MPa. NaCas suppressed the aggregation of β-Lg induced by pressure treatment, and this function was dependent on the concentration of NaCas. Furthermore, NaCas altered the aggregation process of β-Lg by suppressing the transition of the aggregate from the soluble phase to the insoluble phase and, as a result, the fraction of insoluble aggregates was decreased. During this process, NaCas formed stable complexes with the denatured β-Lg, and the formation of complexes prevented further aggregation of β-Lg. These results indicate that NaCas exhibits a chaperone-like activity under high pressure.     

超临界水中硫酸钠结晶动力学的分子动力学模拟

在超临界水反应器中，硫酸钠是易造成堵塞的一种常见无机盐，研究其结晶动力学对于防盐沉积反应器的设计具有重要意义.本文采用LAMMPS分子动力学模拟软件研究硫酸钠在超临界水中的微观结晶过程，其中水分子采用SPC/E模型，离子-离子、离子-水分子相互作用采用Coulumb和Lennard-Jones联合势能函数.结果表明：水对离子的静电屏蔽作用随温度升高而增强、随密度减小而减弱；增大超临界水的温度和密度有利于离子扩散，进而促进离子相互碰撞、成核；在模拟的超临界水参数范围内，其成核速率的数量级为10²⁹cm^-3·s^-1，生长速率为(19.8~25.8) m·s^-1.     

Ultrasound wave assisted removal of Ceftriaxone sodium in aqueous media with novel nano composite g-C3N4/MWCNT/Bi2WO6 based on CCD-RSM model

The aim of this study was ultrasound assisted removal of Ceftriaxone sodium (CS) based on CCD model. Using sonochemical synthesized Bi₂WO₆ implanted on graphitic carbon nitride/Multiwall carbon nanotube (g-C₃N₄/MWCNT/Bi₂WO₆). For this purpose g-C₃N₄/MWCNT/Bi₂WO₆ was synthesized and characterized using diverse approaches including XRD, FE-SEM, XPS, EDS, HRTEM, FT-IR. Then, the contribution of conventional variables including pH, CS concentration, adsorbent dosage and ultrasound contact time were studied by central composite design (CCD) under response surface methodology (RSM). ANOVA was employed to the variable factors, and the most desirable operational conditions mass provided. Drug adsorption yield of 98.85% obtained under these defined conditions. Through conducting five experiments, the proper prediction of the optimum point were examined. The respective results showed that RSD% was lower than 5% while the t-test confirmed the high quality of fitting. Langmuir isotherm equation fits the experimental data best and the removal followed pseudo-second order kinetics. The estimation of the experimentally obtained maximum adsorption capacities was 19.57 mg.g⁻ of g-C₃N₄/MWCNT/Bi₂WO₆ for CS. Boundary layer diffusion explained the mechanism of removal via intraparticle diffusion.