Predicting Low-Pressure O2 Adsorption in Nanoporous Framework Materials for Sensing Applications

A set of 98 nanoporous framework material (NFM) structures was investigated by classical Grand canonical Monte Carlo simulations for low-pressure O₂ adsorption properties (Henry’s constant and isosteric heat of adsorption). The set of materials includes those that have shown high O₂ uptake experimentally as well as a subset of more than 2000 structures previously screened for noble-gas uptake. While use of the general force field UFF is fruitful for noble-gas adsorption studies, its use is shown to be limited for the case of O₂ adsorption—one distinct limitation is a lack of sufficient O₂–metal interactions to be able to describe O₂ interaction with open metal sites. Nonetheless, those structures without open metal sites that have very small pores (<2.5 Å) show increased O₂/N₂ selectivity. Additionally, O₂/N₂ mixture simulations show that in some cases, H₂O or N₂ can hinder O₂ uptake for NFMs with small pores due to competitive adsorption.     

The Interaction of Gaseous Ammonia with Some Transition Metal Salts

Several transition metal salts, as solids, were exposed to gaseous ammonia at room temperature in a cell designed to allow measurement of infrared energy absorption at various pressures. For those salts which did form compounds with the ammonia, the new absorption bands are discussed in reference to spectra of amine complexes of known composition.     

外源一氧化氮对镉胁迫下番茄幼苗叶绿体保护作用的光谱学分析

镉（Cd）是重要的重金属污染源，一氧化氮（NO）是近年来发现的一种普遍存在于生物界的信使分子，研究表明其参与了植物对Cd胁迫的应答反应调控。文章用硝普纳（SNP）作为NO供体，向番茄幼苗喷洒100mol&#183;L^-1SNP1d后加入50mol&#183;L^-1Cd处理7d，取完全展开叶片，提取叶绿体进行光谱学研究，分别测定了叶绿体室温吸收光谱、叶绿体低温荧光光谱和DCPIP电子传递效率等指标，研究外源NO缓解Cd对叶绿体毒性的影响。结果发现，CA对叶绿素a、叶绿素b和类胡萝b素含量都有不同程度的降低，NO处理缓解了CA的影响，使叶绿体室温吸收光谱的吸收率提高；CA导致686nm处峰（PSII）偏移4nrn，峰值降低33％，734nm处峰值降低23％，外源NO缓解了Cd对光合系统的影响，使得叶绿体低温荧光光谱在686和734nm的峰值分别仅下降17％和100o；以DCPIP为人工电子受体，Cd处理的叶绿体中DCPIP还原速率较慢，光合电子传递（H2O→DCPIP）速率降低1．5倍，外源NO处理显著缓解了Cd对电子传递链的抑制，使其光合电子传递速率恢复到对照的水平。该研究可为NO处理增强植物对Cd胁迫的抗性提供理论依据。     

Multiple Metal–Metal Bond or No Bond? The Electronic Structure of V2O2

Detailed knowledge of the electronic structure of vanadium oxide clusters provides the basis for understanding and tuning their significant catalytic properties. However, already for the simple four‐atom V₂O₂ molecule, there are contradictory reports in the literature regarding the electronic ground state and a possible vanadium–vanadium bond. We herein show through a combination of experimental (matrix isolation) studies and theoretical results that there is a multiple vanadium–vanadium bond in this benchmark vanadium oxide molecule.     

L‐lysine and EDTA polymer mimics as resins for the quantitative and reversible removal of heavy metal ion water pollutants

Traditional precipitation methods for inorganic micropollutant removal from waters are increasingly being replaced by sorption methods based on both natural and synthetic materials. In this context, two novel effective heavy metal ions absorbers are presented. These resins, LYMA and LMT85, were crosslinked poly(amidoamine)s carrying amine and carboxyl groups in their repeating units. In particular, the LYMA‐repeating unit contains one carboxyl and two amine groups and is a mimic of L ‐lysine, whereas LMT85 contains two amine and five carboxyl groups and is a mimic of EDTA. Both resins were prepared at moderate cost by simple eco‐friendly procedures. The heavy metal ion set adopted as benchmark was Cu²⁺, Cd²⁺, Pb²⁺, Zn²⁺, Ni²⁺, and Co²⁺. LYMA proved selective for Cu²⁺ and Ni²⁺, the other ions tested being negligibly absorbed, whereas LMT85 proved capable of rapidly and quantitatively absorbing all the ions tested either singly or in mixed solution. The absorption process was reversible, and the resins were easily regenerated by acidification. The absorption of several metal ions imparted intense coloring to the resins, a feature possibly exploitable for analytical purposes. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Sulfonamide‐derived compounds and their transition metal complexes: synthesis,biological evaluation and X‐ray structure of 4‐bromo‐2‐[(E)‐{4‐[(3,4‐dimethylisoxazol‐5 yl)sulfamoyl]phenyl} iminiomethyl] phenolate

Sulfonamide‐derived new ligands, 4‐({[(E)‐(5‐bromo‐2‐hydroxyphenyl)methylidene]‐amino}methyl)benzenesulfonamide and 4‐bromo‐2‐((E)‐{4‐[(3,4‐dimethylisoxazol‐5‐yl)sulfamoyl]phenyl}iminiomethyl)phenolate and their transition metal [cobalt(II), copper(II), nickel(II) and zinc(II)] complexes were synthesized and characterized. The nature of bonding and structure of all the synthesized compounds were deduced from physical (magnetic susceptibility and conductivity measurements), spectral (IR, ¹H and ¹³C NMR, electronic, mass spectrometry) and analytical (CHN analysis) data. The structure of the ligand, 4‐bromo‐2‐((E)‐{4‐[(3,4‐dimethylisoxazol‐5‐yl)sulfamoyl]phenyl} iminiomethyl)phenolate was also determined by X‐ray diffraction method. An octahedral geometry was suggested for all the complexes. In order to evaluate the biological activity of the ligands and the effect of metals, the ligands and their metal complexes were screened for in vitro antibacterial, antifungal and cytotoxic activity. The results of these studies revealed that all compounds showed moderate to significant antibacterial activity against one or more bacterial strains and good antifungal activity against various fungal strains. Copyright © 2011 John Wiley & Sons, Ltd.     

材料化学课程思政的探索与实践*——以“常见金属材料”为例

以“金属材料”中的“常见金属材料”为例,从教学内容和教学评价2个方面探讨了材料化学课程的思政教学。从铝合金、铜合金、钢铁等几种常见金属材料的生产、应用等方面将教学内容与思政元素有机融合,在教学评价中融入思政教育,增强学生的创新创业意识、环境保护意识、资源保护意识、民族自豪感和社会责任感,践行“立德树人”的教育理念。     

Mild Synthesis of Pt/SnO2/Graphene Nanocomposites with Remarkably Enhanced Ethanol Electro‐oxidation Activity and Durability

We have designed a new Pt/SnO₂/graphene nanomaterial by using L ‐arginine as a linker; this material shows the unique Pt‐around‐SnO₂ structure. The Sn²⁺ cations reduce graphene oxide (GO), leading to the in situ formation of SnO₂/graphene hybrids. L ‐Arginine is used as a linker and protector to induce the in situ growth of Pt nanoparticles (NPs) connected with SnO₂ NPs and impede the agglomeration of Pt NPs. The obtained Pt/SnO₂/graphene composites exhibit superior electrocatalytic activity and stability for the ethanol oxidation reaction as compared with the commercial Pt/C catalyst owing to the close‐connected structure between the Pt NPs and SnO₂ NPs. This work should have a great impact on the rational design of future metal–metal oxide nanostructures with high catalytic activity and stability for fuel cell systems.