Artificial neural network investigation of hardness and fracture toughness of hydroxylapatite

Hardness and fracture toughness of hydroxylapatite were investigated by artificial neural network (ANN). Hardness and fracture toughness of hydroxylapatite were predicted by using its sintering temperature, sintering time, relative density, and grain size with ANN. It was found that prediction results of its hardness and fracture toughness closely matched with the experimental results.     

Transient protein-protein interactions

Transient complexes are crucial for diverse biological processes such as biochemical pathways and signaling cascades in the cell. Here, we give an overview of the transient interactions; the importance of transient interactions as drug targets; and the structural characterization of transient protein-protein complexes based on the geometrical and physicochemical features of the transient complexes' interfaces. To better understand and eventually design transient protein-protein interactions (TPPIs), a molecular perspective of the protein-protein interfaces is necessary. Obtaining high-quality structures of protein-protein interactions could be one way of achieving this goal. After introducing the association kinetics of TPPIs, we elaborate on the experimental techniques detecting TPPIs in combination with the computational methods which classify transient and/or non-obligate complexes. In this review, currently available databases and servers that can be used to identify and predict TPPIs are also compiled.     

Copolymers of a new methacrylate monomer bearing oxime ester and ether with methyl methacrylate: Synthesis,characterization, monomer reactivity ratios,and biological activity

The free‐radical copolymerization of 2‐metil‐1‐{[(1‐{4‐[(4‐nitrobenzil)oksi]fenil}etilidene)amino]oksi}prop‐2‐en‐1‐on (NBOEMA) with methyl methacrylate (MMA) was carried out in 1,4‐dioxane at 65 ± 1°C. The copolymers were analyzed by Fourier transform infrared spectroscopy, ¹H‐NMR, ¹³C‐NMR, and gel permeation chromatography (GPC). Elemental analysis was used to determine the molar fractions of NBOEMA and MMA in the copolymers and for the characterization of the compounds. The monomer reactivity ratios were calculated according to the general copolymerization equation with the Kelen–Tudos and Fineman–Ross linearization methods. The polydispersity indices of the polymers, determined with GPC, suggested a strong tendency for chain termination by disproportionation. The thermal behaviors of the copolymers with various compositions were investigated by differential scanning calorimetry and thermogravimetric analysis. The glass‐transition temperature of the copolymers increased with increasing NBOEMA content in the copolymers. Also, the apparent thermal decomposition activation energies were calculated by the Ozawa method with a Shimadzu TGA 60H thermogravimetric analysis thermobalance. All of the products showed moderate activity against different strains of bacteria and fungi. The photochemical properties of the polymers were investigated by UV spectroscopy. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010     

水,乙醇和丁二酸二甲酯三元体系的液体平衡

Liquid-liquid equilibrium (LLE) data for the ternary system water-ethanol-dimethyl succinate have been determined experimentally at temperatures ranging from 298.15 to 318.15 K at 5 K intervals. Complete phase diagrams were obtained by determining solubility and the tie-line data. Tie-line compositions were correlated by Othmer-Tobias method. The universal quasichemical functional group activity coefficient (UNIFAC) and modifiedUNIFAC methods were used to predict the phase equilibrium in the system using the interaction parameters determined from experimental data between groups CH3, CH2, OH, CH3COO and H20. It is found that UNIFAC and modified UNIFAC group interaction parameters used for LLE could not provide a good prediction. Distribution coefficients and separation f~ctors were evaluated for the immiscibility region.     

The adsorption behavior of cesium on poly(N-isopropylacrylamide/itaconic acid) copolymeric hydrogels

In this study, N-isopropylacrylamide/itaconic acid (NIPAAm/IA) hydrogels prepared by irradiating with γ radiation were used in experiments on cesium ion adsorption. The cesium ion adsorption capacity of the hydrogels was investigated as a function of Cs⁺ concentration, pH and temperature. The adsorption behavior of cesium was evaluated by using the radiotracer method. The adsorption isotherm models were applied to the experimental data, and it was seen that Freundlich isotherm explained the adsorption better than Langmuir isotherm. Two simplified kinetic models including pseudo-first-order and pseudo-second-order equation were selected to follow the adsorption processes. The Cs⁺ adsorption could be best described by the pseudo-first-order equation. The thermodynamic parameters including ΔG°, ΔH° and ΔS° for adsorption processes of Cs⁺ on the hydrogel were also calculated, and the negative ΔH° and ΔG° confirmed that the adsorption process was exothermic and spontaneous.     

Viscoelastic and Processing Effects on the Fiber-Matrix Interphase Strength. Part I. The Effects of Loading Rate, Test Temperature, Fiber Sizing and Global Strain Level

The effects of loading rate, fiber sizing, test temperature and global strain level on the adhesion strength between carbon fibers and a thermosetting epoxy (Epon 815) are studied using the single fiber fragmentation test procedure. Analytical methodology describing the viscoelastic behavior observed is also presented. The possibility of rate-temperature-interphase thickness superposition for the interfacial strength function is illustrated based on the analytical models discussed. Experimental data are discussed using Weibull statistics and also presented in the form of percent relative frequency histograms for the fiber fragments in a collective fashion. The use of histograms allows for interpretation of the skewness in the data population.     

Excitation energy-dependent nature of Raman scattering spectrum in GaInNAs/GaAs quantum well structures

The excitation energy-dependent nature of Raman scattering spectrum, vibration, electronic or both, has been studied using different excitation sources on as-grown and annealed n- and p-type modulation-doped Ga_1 − xIn_xN_yAs_1 − y/GaAs quantum well structures. The samples were grown by molecular beam technique with different N concentrations (y = 0%, 0.9%, 1.2%, 1.7%) at the same In concentration of 32%. Micro-Raman measurements have been carried out using 532 and 758 nm lines of diode lasers, and the 1064 nm line of the Nd-YAG laser has been used for Fourier transform-Raman scattering measurements. Raman scattering measurements with different excitation sources have revealed that the excitation energy is the decisive mechanism on the nature of the Raman scattering spectrum. When the excitation energy is close to the electronic band gap energy of any constituent semiconductor materials in the sample, electronic transition dominates the spectrum, leading to a very broad peak. In the condition that the excitation energy is much higher than the band gap energy, only vibrational modes contribute to the Raman scattering spectrum of the samples. Line shapes of the Raman scattering spectrum with the 785 and 1064 nm lines of lasers have been observed to be very broad peaks, whose absolute peak energy values are in good agreement with the ones obtained from photoluminescence measurements. On the other hand, Raman scattering spectrum with the 532 nm line has exhibited only vibrational modes. As a complementary tool of Raman scattering measurements with the excitation source of 532 nm, which shows weak vibrational transitions, attenuated total reflectance infrared spectroscopy has been also carried out. The results exhibited that the nature of the Raman scattering spectrum is strongly excitation energy-dependent, and with suitable excitation energy, electronic and/or vibrational transitions can be investigated.     

Experimental and MD simulation study on the physical and mechanical properties of organically modified montmorillonite clay and compatibilized linear low density polyethylene nanocomposites

Understanding the interfacial interactions plays a key role in controlling mechanical and physical properties of polymer/clay nanocomposites (PCNs). In this work, the surface interactions between constituents of experimentally prepared PCNs which are the pristine linear low density polyethylene (PE) chains, PE compatibilizers, montmorillonite clay surface layer, and surfactants were studied quantitatively by employing molecular dynamics simulation technique. The interaction energy between the polymer and the clay was found to be inversely proportional with the volume of the surfactant which decreases the electrostatic interactions between the compatibilizer and the hydrophilic clay surface. However, the van der Waals (vdW) interactions between alkyl tails of surfactants and the PE chains increase with the tail length of the surfactants. The most attractive interaction was between the surfactant's head group and the clay surface. We showed that there existed fine balance between the electrostatic and vdW type forces on the stability and the enhanced properties of the PE–organoclay nanocomposites. Calculated interaction energies were then correlated to the experimentally measured mechanical properties. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 45817.     

Biomimetic crystallization of calcium carbonate in the presence of water‐soluble zwitterionic block copolymer

Crystallization of calcium carbonate (CC) in aqueous solutions by gas‐liquid diffusion procedure was investigated systematically in the presence of poly(4‐sulfonic acid diphenylamine)‐block‐poly(ethylene glycol) (PSDA‐b‐PEG), wherein the PSDA block is a polymeric zwitterion. PSDA‐b‐PEG was synthesized with the reaction of tosylated PEG and amine‐functionalized PSDA and was characterized by nuclear magnetic resonance. The parameters such as, block copolymer concentration, crystallization time and initial pH were considered as indicators of block copolymer's capability in controlling the morphology of CC particles_. The particles were characterized by Fourier transform infrared, scanning electron microscopy, and X‐ray diffraction. The results suggest that PSDA‐b‐PEG is a suitable template to control the growth mechanism of CC to produce meso‐sized particles with different morphologies. POLYM. ENG. SCI., 59:96–102, 2019. © 2018 Society of Plastics Engineers     

Temperature-Dependent Phase Behaviors in Cylinder-Forming Block Copolymers

We demonstrate that the temperature-dependent phase behaviors of parallel and perpendicular cylinder-forming block copolymers are governed by domain-domain segregation forces inherently present in block copolymer material itself. With increasing temperature, a parallel cylinder-forming block copolymer experienced a parallel cylinder straightening process before the order-disorder transition (ODT) and did not show long-range composition fluctuations near the ODT temperature due to the weak segregation forces between the block domains. A perpendicular cylinder-forming block copolymer with a strong segregation force between the block domains displayed cylinder orientation transition from perpendicular to parallel below the ODT temperature. On the other hand, a perpendicular cylinder-forming block copolymer material with an exceptionally strong segregation force between the block domains maintained its initial perpendicular cylinder orientation up to near the ODT temperature. In both cases of perpendicular cylinder-forming block copolymers, submicrometer-scale long-range composition fluctuations were observed well above the ODT temperature due to their intrinsically strong segregation forces between the block domains.