Influence of aspect ratio and anisotropy distribution in ordered CoNi nanowire arrays

The size effects on magnetic properties of nanowires arrays were studied varying the nanowires diameter and maintaining the same periodicity among them, for two different nominal compositions of Co and Ni in the alloy form. The competition among magnetocrystalline and shape anisotropies changes drastically from smallest to biggest diameters altering the easy axis direction. In the case of 75% of Co in alloy, experimental values of the effective anisotropy constant (K_eff) vary from positive to negative depending on the diameter, which means a reversal of the easy axis direction. For 50% of Co the shape anisotropy dominates over the magnetocrystalline for all studied diameters.     

Experimental and Computational Study of the Thermal Decomposition of 3‐Methyl‐3‐buten‐1‐ol in m‐Xylene Solution

An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the range of 513.15–563.15 K. The temperature dependence of the rate constants for the decomposition of this compound in the corresponding Arrhenius equation is given by ln k (s^?1) = (25.65 ± 1.52) ? (17,944 ± 814) (kJ·mol^?1)·T^?1. A computational study has been carried out at the M05–2X/6–31+G(d,p) level of theory to calculate the rate constants and the activation parameters by the classical transition state theory. There is a good agreement between the experimental and calculated rate constants and activation Gibbs energies. The bonding characteristics of reactant, transition state, and products have been investigated by the natural bond orbital analysis, which provides the natural atomic charges and the Wiberg bond indices. Based on the results obtained, the mechanism proposed is a one‐step process proceeding through a six‐membered cyclic transition state, being a concerted and slightly asynchronous process. The results have been compared with those obtained previously by us (Struct Chem 2013, 24, 1811–1816) for the thermal decomposition of 3‐buten‐1‐ol, in m‐xylene solution. We can conclude that in the compound studied in this work, 3‐methyl‐3‐buten‐1‐ol, the effect of substitution at position 3 by a weakly activating CH₃ group is the stabilization of the transition state formed in the reaction and therefore a small increase in the rate of thermal decomposition.     

Structural and Kinetic Aspects of Blood Plasma Protein Adsorption on the Surface of Hydrophobic Polymers

Abstract

Due to the wide use of polymers in medicine, researchers are required to solve a very important problem–to understand the interaction between materials of nonphysiological origin and the surrounding biological liquids, and tissues, particularly blood.     

Upper bound for the magnetic force gradient in graphite

In this work we investigate possible ferromagnetic order on the graphite surface by using magnetic force microscopy (MFM). Our data show that the tip-sample interaction along the steps is independent of an external magnetic field. Moreover, by combining kelvin probe force microscopy and MFM, we are able to separate the electrostatic and magnetic interactions along the steps obtaining an upper bound for the magnetic force gradient of 16 μN/m. Our experiments suggest the absence of ferromagnetic signal in graphite at room temperature.     

Properties of In2S3 thin films deposited onto ITO/glass substrates by chemical bath deposition

In₂S₃ films have been chemically deposited on ITO coated glass substrates by chemical bath deposition, using different deposition times and precursor concentrations. The bilayers are intended for photovoltaic applications. Different characterization methods have been employed: optical properties of the films were investigated from transmittance measurements, structural properties by XRD and micro-Raman, and surface morphology by SEM microscopy analysis. Also, the direct and indirect band-gaps and the surface gap states were studied with surface photovoltage spectroscopy (SPS). We proposed that electronic properties of the In₂S₃ samples are controlled by two features: shallow tail states and a broad band centred at 1.5 eV approximately. Their relation with the structure is discussed, suggesting that their origin is related to defects created on the S sub-lattice, and then both defects are intrinsic to the material.     

Prediction of retention times of proteins in hydrophobic interaction chromatography using only their amino acid composition

This paper focuses on the prediction of the dimensionless retention time of proteins (DRT) in hydrophobic interaction chromatography (HIC) by means of mathematical models based, essentially, only on aminoacidic composition. The results show that such prediction is indeed possible. Our main contribution was the design of models that predict the DRT using the minimal information concerning a protein: its aminoacidic composition. The performance is similar to that observed in models that use much more sophisticated information such as the three-dimensional structure of proteins. Three models that, in addition to the amino acid composition, use different assumptions about the amino acids tendency to be exposed to the solvent, were evaluated in 12 proteins with known experimental DRT. In all the cases analyzed, the model that obtained the best results was the one based on a linear estimation of the aminoacidic surface composition. The models were adjusted using a collection of 74 vectors of aminoacidic properties plus a set of 6388 vectors derived from these using two mathematical tools: k-means and self-organizing maps (SOM) algorithms. The best vector was generated by the SOM algorithm and was interpreted as a hydrophobicity scale based partly on the tendency of the amino acids to be hidden in proteins. The prediction error (MSE(JK)) obtained by this model was almost 35% smaller than that obtained by the model that supposes that all the amino acids are completely exposed and 40% smaller than that obtained by the model that uses a simple correction factor considering the general tendency of each amino acid to be exposed to the solvent. In fact, the performance of the best model based on the aminoacidic composition was 5% better than that observed in the model based on the three-dimensional structure of proteins.     

高聚合度Ⅱ-型聚磷酸铵的合成

用聚合反应-热处理两段工艺合成了高聚合度的聚磷酸铵（APP）阻燃材料,其结构经XRD,粒度及平均聚合度表征。优化反应条件为：磷酸氢二铵1mol,n（磷酸氢二铵）：n（五氧化二磷）：n（脲）：1．0：1．0：0．3．干燥氨气氛下于290℃反应30min,再经250℃-280℃后处理100min-110min。APP的平均聚合度大于150,粒度小于50μm。     

Naked and Self‐Clickable Propargylic‐Decorated Single‐Chain Nanoparticle Precursors via Redox‐Initiated RAFT Polymerization

Protection of acetylenic monomers is a common practice to avoid parasitic side reactions during polymerization. Herein, we report that redox‐initiated RAFT polymerization allows the direct, room temperature synthesis of a variety of single‐chain nanoparticle precursors (displaying narrow molecular weight dispersity, / = 1.12 –1.37 up to = 100 kDa) containing well‐defined amounts of naked, unprotected acetylenic functional groups available for rapid and quantitative intrachain cross‐linking via metal‐catalyzed carbon–carbon coupling (i.e., C–C “click” chemistry). To illustrate the useful “self‐clickable” character of the new unprotected acetylenic precursors, single‐chain nanoparticles have been prepared for the first time in a facile and highly efficient manner by copper‐catalyzed alkyne homocoupling (i.e., Glaser–Hay coupling) at room temperature under normal air atmosphere.