π-π Stacking and Magnetic Coupling Mechanism on a Mono-nuclear Mn(Ⅱ) Complex

A new mono-nuclear Mn(Ⅱ) complex [Mn(MPT)2(NCS)(HOCH3)]ClO4(MPT = 2-methoxyl-1,10-phenanthroline) has been synthesized with 2-methoxyl-1,10-phenanthroline and thiocyanate anion as ligands,and its crystal structure was determined by X-ray crystallography.The crystal data:monoclinic system,space group P21/c with a = 12.8849(17),b = 15.684(2),c = 14.2703(19) ,β = 92.126(2)°,V = 2881.9(7) 3,Z = 4,C28H24ClMnN5O7S,Mr = 664.97,Dc = 1.533 g/cm3,F(000) = 1364 and μ = 0.679 mm-1.In the crystal,MPT functions as a bidentate ligand and Mn(Ⅱ) ion assumes a distorted octahedral geometry.In the crystal there are two types of π-π stacking interactions among the adjacent complexes,which involves 1,10-phenanthroline rings.The theoretical calculations reveal that the two types of π-π stacking resulted in a weak anti-ferromagnetic coupling with 2J =-14.68 cm-1 and a weak ferromagnetic coupling with 2J = 0.70 cm-1,respectively.The theoretical calculations also reveal that there are both spin polarization and spin delocalization in the two π-π stacking systems,and the magnetic coupling signs are unable to explain with McConnell I spin-polarization mechanism.     

Λ-Shaped optoelectronic materials based on Trger's base

Trger's base (TB) is a well-known chiral molecule with rigid concave shape that makes it applicable in different areas such as superamolecular chemistry,molecular recognition,biological labeling,and so on.In this article,we briefly summarize some recent research progress in the optoelectronic properties of novel TB analogues and their applications in optoelectronic field with emphasis on the developments achieved in our group.     

The influence of the geometry of micro-patterned thin films on the effective permeability and resonance frequency by domains development

For the application in high-frequency micromagnetic devices, the permeability and resonance frequency of ferromagnetic components is of high interest. It is dominantly influenced by different factors, the external field and direction and the domain distribution, shape and orientation. By the use of micromagnetic simulation, the domain pattern in films was determined and the effective permeability was calculated. The results of the calculations were compared with the domain shape of patterned microstructures of thin FeCoTaN-films, which were deposited onto oxidised silicon substrates by reactive r.f.-magnetron sputtering by employing 6-in Fe₃₇Co₄₆Ta₁₇ targets. To achieve a high-frequency suitability, the films have to be annealed in a static magnetic field of 50 mT between 400 and 500 °C, which are typical temperatures used in CMOS processes, to induce an in-plane uniaxial anisotropy needed for the high-frequency performance. Magnetic softness was obtained by producing amorphous or nanocrystalline films, and additionally, by aspiring low magnetocrystalline anisotropies for, e.g., certain Fe/Co fractions. The unpatterned films with a lateral dimension of 5×5 mm² were measured in a strip line permeameter in a frequency range up to 5 GHz and exhibited ferromagnetic resonance frequencies between 2 and 2.5 GHz within a low-loss permeability spectrum (low width of imaginary part of permeability). For possible integrations in passive microelectronic components the films were patterned to a few tenths of micrometers by near ultra-violet lithography and plasma beam etching, and then consequently annealed to obtain the static and dynamic magnetic properties. To influence the amount of closure domains, designs were conceived to influence the domain formation by creating additional internal boundaries. As a result, the ferromagnetic resonance frequency and the effective permeability are strongly driven by internal and external boundaries.     

Synthesis of ZnO nanospheres with uniform nanopores by a hydrothermal process

ZnO nanospheres were successfully synthesized by a hydrothermal process (S1 sample) and a wet-chemical method (S2 sample). Following synthesis, calcination treatment at 450 °C was performed for the sample prepared by the wet-chemical method (S3 sample). All of the samples possessed a regular spherical shape. A polycrystalline wurtzite structure was confirmed in the S1 and S3 samples by X-ray diffraction and selected area electron diffraction, whereas a mixture of ZnO nanoparticles and amorphous materials was observed in the sample S2. The surface area and pore structure of the samples were investigated by nitrogen adsorption–desorption measurements. Uniform nanopores with a diameter of 4.07 nm were present in the S1 sample while a broad pore size distribution was obtained for the S2 and S3 samples. The highest surface area was obtained for the S1 sample and a possible formation mechanism was studied.     

Effects of Surfactant and Salt Species in Reverse Micellar Forward Extraction Efficiency of Isoflavones with Enriched Protein from Soy Flour

Suitability of reverse micelles of anionic surfactant sodium bis(2-ethyl hexyl) sulfosuccinate (AOT) and sodium dodecyl sulfate (SDS), cationic surfactant hexadecyl trimethyl ammonium bromide (CTAB) and nonionic surfactant polyoxyethylene p-t-octylphenol (TritonX-100) in organic solvent isooctane for extraction of soy isoflavone-enriching proteins was investigated. The results showed that the order of combined isoflavone contents was SDS>CTAB>Triton X-100>AOT, while the order of protein recovery was SDS>AOT>TritonX-100>CTAB. As compared with ACN-HCl extraction, the total amount of isoflavones was lower than reverse micellar extraction. Ion strength was one of the important conditions to control extraction of isoflavone-enriching proteins with AOT reversed micelles. For the six salt systems, KNO₃, KCl, MgCl₂, CaCl₂, NaCl, and Na₂SO₄, extracted fraction of isoflavone-enriching proteins was measured. Salt solutions greatly influenced the extraction efficiency of isoflavones in an order of KNO₃>MgCl₂>CaCl₂>KCl>NaCl>Na₂SO₄, while protein in an order of MgCl₂>CaCl₂>NaCl>KNO₃>Na₂SO₄>KCl.     

Structural properties of non-combustion-derived refractory organic matter which interfere with BC quantification

Black carbon (BC), presenting the residue from incomplete combustion processes of fossil fuels and vegetation, has received special interest as a possible carbon sink in soils and sediments. In spite of this, there is still a need to develop accurate and comparable analytical protocols to determine the amount of BC stored in different environmental matrices and to characterise potentially interfering materials in the analysis of BC. Therefore in this study a melanoidin, a sample from the Green River Shale, a lignite and a bituminous coal were characterised by means of elemental analysis, thermogravimetry–differential scanning calorimetry (TG–DSC), pyrolysis coupled with gas chromatography–mass spectrometry (Py-GC/MS) and ¹³C NMR spectroscopy. Thermal analysis (TG–DSC) indicated larger contributions of labile OM in the melanoidin and in the shale samples than in the lignite and the bituminous coal, although the coals showed an intense exothermal peak at temperatures higher than 550 °C. This behaviour is in agreement with high thermal recalcitrance of the latter and was also found in earlier studies of BC-rich material. Comparable to the latter, Py-GC/MS of the coals reveals considerable amounts of lignin-derived products. This and the similar thermal behaviour of both refractory materials aggravate their discrimination during BC-analysis. The pyrogram of the melanoidin reveals an important contribution of furanes and pyrane-like structures that derive from carbohydrates. NMR spectroscopy supports that those compounds are original constituents of the melanoidin rather than solely pyrolysis products. Considering that those compounds are typically formed during charring of N-containing biomass, their contribution to the BC structure should not be neglected if one seeks for a better understanding of BC structural properties. For the shale sample, both analytical pyrolysis and ¹³C NMR spectroscopy confirm a high contribution of long alkyl-C chains. Due to their high hydrophobicity such structures can stand chemical oxidation and their presence in soil and sediment samples can obscure BC quantification by those methods. This study indicates that present approaches for BC-identification that are based on the assumption of BC being mostly a highly condensed polyaromatic network, have to be taken with caution and modified in accordance with a more heterogeneous composition of BC containing considerable fractions of only partly charred biopolymers.     

Effects of anions on rapid growth and growth habit of KDP crystals

The synthesis of KDP from its raw material has been found exist in the growth solution. In the crystal growth experiment, significant extension of specific faces was observed at low dopant concentration. At high doping concentration, the growth rate of the whole crystal decreased with no significant habit modification. The inhibiting effects of phosphite and other H-bonding anionic ions on the growth of pyramidal faces are discussed. Rapid growth rate experiments have been carried out with purified material and an averaged growth rate of 18.6mm/day was obtained.     

Effect of Alcohols on the CMC and Thermodynamic Functions of Anionic Surfactants in DMF/Long‐Chain Alcohol Using Microcalorimetric Method

The critical micelle concentration (CMC) of two kinds of anionic surfactant (including sodium laurate (SLA) and sodium dodecyl sulfate (SDS)) in mixed alcohol and N, N‐dimethyl formamide solvent (DMF) were investigated through measuring power‐time curves by titration microcalorimetry. From data of the lowest point and the area of the power‐time curves, their CMC and ΔH _m ⁰ can be obtained. According to standard thermodynamic equations, ΔG _m ⁰ and ΔS _m ⁰ also can be calculated. For different surfactant, the influences of the carbon number and the concentration of alcohol on the CMC and standard thermodynamic functions are different in DMF polar medium. These thermodynamic functions for micelle formation can be further interpreted.     

二维抛物型问题的Strang型交替分段区域分裂格式

给出求解二维抛物型方程的Strang型的交替分段区域分裂格式。交替分段思想可以将区域分为一些不重叠的子区域，Strang型算子分裂技巧通过将高维问题的求解分解为几个低维问题的求解来降低其求解的复杂度。方法是无条件稳定的，理论分析了截断误差。数值算例说明格式的有效性及时空的二阶精度.     

Characterization and biochemical investigation of the potential inositol monophosphate phosphatase involved in bacterial mycothiol biosynthesis

Abstract

Mycothiol (MSH) is the predominant form of small molecule thiols produced by actinomycetes and plays a pivotal role in the bacterial detoxication process. The only enzyme involved in MSH biosynthesis that has not been characterized yet is a phosphatase MshA2, which was proposed to catalyze the hydrolysis of 3-phospho-1-D-myo-inosityl-2-acetamido-2-deoxy-α-D-glucopyranoside (GlcNAc-Ins-3-P) to GlcNAc-Ins. In this study, a new inositol monophosphate phosphatase from Corynebacterium glutamicum, designated as Cg0911, was discovered, expressed and characterized. Detailed biochemical studies on Cg0911 revealed that GlcNAc-Ins-3-P was its preferred substrate for efficient conversion into GlcNAc-Ins.