Synthesis and Electrochemical Studies of Spinel LiNi1−xMnxVO4

Spinel compound LiNi_1−xMn_xVO₄ (0≤x≤0.4) had been prepared by using the moist chemical method. X-ray diffraction spectra showed that the lattice constant increased with x in the LiNi_1−xMn_xVO₄, XPS spectra indicating that Li1s had a chemical shift towards lesser binding energy, and manganese in LiNi_1−xMn_xVO₄ existing as the mixed valence of Mn²⁺ and Mn³⁺. The electrochemical charge and discharge testing at a current density of 0.1 mA/cm² between the potentials of 4.0 and 3.0 V vs Li/Li⁺ in 1 mol/dm³ LiPF₆/EC+DEC (1:1 by volume) at 25°C showed that LiNi_1−xMn_xVO₄ cell has a better rechargeability, but a lower cell voltage of 4.0 V vs Li/Li⁺ than that without the doping sample, and the capacity and the cycle efficiency of the Li/LiNi_1−xMn_xVO₄ cells increased with x in the LiNi_1−xMn_xVO₄.     

Molecular basis for antifreeze activity difference of two insect antifreeze protein isoforms

The insect spruce budworm(Choristoneura fumiferana) produces antifreeze protein(AFP) to assist in the protection of the over-wintering larval stage and contains multiple isoforms. Structures for two isoforms,known as CfAFP-501 and CfAFP-337,show that both possess similar left-handed β-helical structure,although thermal hysteresis activity of the longer isoform CfAFP-501 is three times that of CfAFP-337. The markedly enhanced activity of CfAFP-501 is not proportional to,and cannot be simply accounted for,by the increased ice-binding site resulting from the two extra coils in CfAFP-501. In or-der to investigate the molecular basis for the activity difference and gain better understanding of AFPs in general,we have employed several different computational methods to systematically study the structural properties and ice interactions of the AFPs and their deletion models. In the context of intact AFPs,a majority of the coils in CfAFP-501 has better ice interaction and causes stronger ice lattice disruption than CfAFP-337,strongly suggesting a cooperative or synergistic effect among β-helical coils. The synergistic effect would play a critical role and make significant contributions to the anti-freeze activity β-helical antifreeze proteins. This is the first time that synergistic effect and its implica-tion for antifreeze activity are reported for β-helical antifreeze proteins.     

RNA Methylation m6A: A New Code and Drug Target?

The m⁶A‐RNA modification is a dynamic and reversible process, which has emerged as a new RNA code for the regulation of gene expression. The functional network of methyltransferases (writers), demethylases (erasers), and binding proteins (readers) modulate the level of m⁶A modification. Dysfunction of RNA methylation has been associated with various fundamental biological processes and human diseases. Herein, we briefly introduce an understanding‐enabled manipulation on m⁶A‐RNA modification with an emphasis on the use of small‐molecule intervention.      

Synthesis and photopolymerization of monomers bearing isopropenylphenoxy groups

The synthesis of a series of monomers containing isopropenylphenoxy groups was carried out. On irradiation with UV light in the presence of onium salt photoacid generators, these monomers undergo a chain extension reaction consisting of a dimerization followed by a Friedel-Crafts ring closure which results in the formation of polymers with indane groups in the backbone. Aryl imide-containing monomers bearing isopropenylphenoxy groups were also shown to undergo facile photoinduced cationic polymerization. The resulting polymers displayed excellent thermal stability. © 1995 John Wiley & Sons, Inc.     

Do proficiency tests always verify laboratories’ performance? The case of FAPAS PT 0270

In this paper, the case of FAPAS PT 0270 “Doramectin and Oxfendazole in Sheep Liver” is discussed. During evaluation of the data received from participants (determination of total, oxidised oxfendazole residue and calculation of the sum of oxfendazole and oxfendazole sulfone residues), significant differences were observed between the results obtained by use of two analytical approaches. This phenomenon can be explained by the route of oxfendazole metabolism, which results in the presence of fenbendazole in the sample. This was not predicted by the provider; consequently, not all the necessary tests on the material were conducted. Due to the high uncertainty of the z-scores in this test, the results of the PT cannot be used for purposes of evaluation, and the benefits of participation in PT 0270 are questionable.     

Diffraction techniques for nonlamellar phases of phospholipids

A neutron diffraction method applicable to nonlamellar phases of substrate-supported lipid membranes is described and validated. When prepared on a flat substrate, the resulting nonlamellar phases have layered symmetry which provides some advantages over powder diffraction for detailed structure determination. This approach recently led to the detection of a rhombohedral phase and a distorted hexagonal phase of lipids. Here the determination of intensity and phase information for such phases is demonstrated by application to the hexagonal phase of diphytanoyl phosphatidylcholine (DPhPC). The hexagonal symmetry is used to verify the data reduction procedure for the intensities of the diffraction peaks. Diffraction intensities measured while varying the D2O/H2O ratio in the relative humidity was used to solve the phase problem. The neutron scattering length density distribution of the hexagonal phase was constructed and analyzed to elucidate the packing of the lipid molecules. The structure of DPhPC in the hexagonal phase is of interest in connection with its stalk structure in the rhombohedral phase. We also found that the incorporation of tetradecane into the DPhPC hexagonal phase is limited, similar to the case for dioleoyl phosphatidylethanolamine.     

Improving the quality of 3D-QSAR by using flexible-ligand receptor models

To address the problems associated with molecular conformations and alignments in the 3D-QSAR studies, we have developed the Flexible Ligand - Atomic Receptor Model (FLARM) 2.0 method. The FLARM 2.0 method has three unique features as compared to other pseudoreceptor model methods: (1) the training ligands are flexibly optimized inside the receptors to achieve minimal docking energies; (2) the receptor atoms are spatially moveable in the process of genetic evolving in order to avoid improper initial receptor shapes; and (3) void receptor sites are specially favored in order to obtain open receptor models that allow large gaps. Advantages of an open model include less noise information, a smaller risk of overfitting, and ease of locating the key interaction sites. The latter two features, inherited from the previous FLARM 1.0 method, can improve the predictive ability of the 3D-QSAR models, while the first feature is newly implemented to relieve the uncertainty caused by improper conformation and alignment. Three FLARM 2.0 case studies were performed, and the results show that FLARM 2.0 models are highly predictive and robust. FLARM 2.0 pseudoreceptor models can correspond well with the pharmacophore models and/or the binding sites of the real protein receptors.     

Reduced Overlap Population Analysis for Triosmium Clusters

The use of reduced overlap population (ROP) analysis from EHMO calculations as a means to gauge the presence of metal–metal bonds in triosmium clusters is examined. A number of triosmium clusters containing bridging ligands have been used as test cases, including the bis-ethoxy bridged cluster Os₃(μ-OEt)₂(CO)₁₀, 1b, and some of its group 15 derivatives Os₃(μ-OEt)₂(CO)₉(EPh₃), 2. These latter clusters are newly synthesized and have been characterized completely, including by single-crystal X-ray crystallographic studies. In honour of Professor Dieter Fenske on his 65th birthday.     

Studies on the thermotropic liquid crystalline polymer. VII. Synthesis and properties of photocrosslinkable poly(ether-ester) containing cinnamic group

A series of semi-aromatic poly(ether-ester)s containing cinnamic group was prepared from 4,4′-diacrylic acid-α,ω-phenoxyalkanes with diols in the presence of diphenylchlorophosphate (DPCP) and pyridine as a catalyst and solvent. The phase behavior of these polymers was studied by differential scanning calorimetry (DSC), optical polarizing microscopy equipped with a heating stage, and wide-angle x-ray diffraction (WAXD). All of the poly(ether-ester)s, except P3 , show nematic or smectic thermotropic liquid crystalline behaviour under optical polarizing microscopic observation. These polymers can undergo photocrosslinking reaction upon heating, as examined by IR, solubility, and DSC analysis. © 1993 John Wiley & Sons, Inc.     

Effect of transition metals (Cr, Mn, Fe, Co, Ni and Cu) on selective hydrogenation of cinnamaldehyde over Pt/CNTs catalyst

Summary The effect of transition metals (Cr, Mn, Fe, Co, Ni and Cu) on the selective hydrogenation of cinnamaldehyde (CMA) to the corresponding semi-hydrogenated product over Pt/CNTs catalyst has been studied in ethanol at 343 K under 2.0 MPa H₂ pressure. PtNi/CNTs catalyst shows good catalytic activity and selectivity of C=C bond hydrogenation, 68.4% for conversion of CMA and 97.0% for selectivity of hydrocinnamaldehyde (HCMA). PtCo/CNTs catalyst shows good catalytic activity and selectivity of C=O bond hydrogenation, 91.3% for conversion of CMA and 88.2% for selectivity of cinnamylalcohol (CMO).