Ecowood Composites Made using Citric-Acidmodified Corn and Oil Palm Starches as the Binder

Mechanics of Composite Materials - The conventional wood-based composites contain an unreacted free formaldehyde, which causes a cancerous effect on humans. To overcome this problem,...     

Study of optoelectronic energy bands and molecular energy levels of tris (8-hydroxyquinolinate) gallium and aluminum organometallic materials from their spectroscopic and electrochemical analysis

For the purpose of investigating electro-molecular absorption bands, energy gaps, E_g and molecular energy levels (ionization potential, IP and electron affinity, EA) of tris (8-hydroxyquinolinate) gallium and aluminum, spectral analysis in conjunction with electrochemical measurements was carried out. UV-Vis-NIR and FTIR spectroscopic measurements were used to assign the electronic and molecular absorption bands in both of the materials. The XRD and scanning electronic microscopy (SEM) technique showed the amorphous nature. From the recorded data of cyclic voltammetry (CV) and materials absorption coefficient, HOMO, LUMO energy levels and energy gaps for Gaq3 and Alq3 were calculated. A bit smaller value of energy gap for Gaq3 (2.80 eV) compared to that of Alq3 (2.86 eV) has been ascribed to the differences in electronic configuration and coordinated bond lengths related to the central metal atom with respect to the quinolinate ligands. A higher value of HOMO energy level for the Alq3 (IP = 6.3 eV) revealed the need of higher potentials to oxidize its molecules comparing to that of Gaq3 (IP = 5.8 eV). It was observed that cationic metals have a direct effect on the physical and chemical behaviors of such organometallic materials that can be exploited to be used in tuning their properties to match the desired application in OSC and/or OLED technologies.     

Dynamic Cross‐Exchange in Halophosphonium Species: Direct Observation of Stereochemical Inversion in the Course of an SN2 Process

The complex fluxional interconversions between otherwise very similar phosphonium bromides and chlorides R₃PX⁺X^? (R=Alk, Ar, X=Cl or Br) were studied by NMR techniques. Their energy barriers are typically ca. 11 kcal mol^?1, but rise rapidly as bulky groups are attached to phosphorus, revealing the importance of steric factors. In contrast, electronic effects, as measured by Hammett analysis, are modest (ρ 1.46) but still clearly indicate negative charge flow towards phosphorus in the transition state. Most significantly, detailed analysis of the exchange pathways unequivocally, and for the first time in any such process, shows that nucleophilic attack of the nucleophilic anion on the tetrahedral centre results in inversion of configuration.     

Interaction of Dimethyltin(IV) with DNA Constituents

 The interaction of dimethyltin(IV) (DMT) with some selected DNA constituents was investigated potentiometrically. The stepwise formation constants of the complexes were determined, and the concentration distribution of the various complex species was evaluated as a function of pH. The effect of dioxane on the protonation constants of the ligands and the formation constants of dimethyltin(IV) complexes are discussed. The thermodynamic parameters Δ H° and ΔS° were calculated from the temperature dependence of the equilibrium constants.     

Synthesis and NMR characterization of 6‐Phenyl‐6‐deoxy‐2,3‐di‐O‐methylcellulose

Cellulose ( 1 ) was converted for the first time to 6‐phenyl‐6‐deoxy‐2,3‐di‐O‐methylcellulose ( 6 ) in 33% overall yield. Intermediates in the five‐step conversion of 1 to­ 6 were: 6‐O‐tritylcellulose ( 2 ), 6‐O‐trityl‐2,3‐di‐O‐methylcellulose ( 3 ), 2,3‐di‐O‐methylcellulose ( 4 ); and 6‐bromo‐6‐deoxy‐2,3‐di‐O‐methylcellulose ( 5 ). Elemental and quantitative carbon‐13 analyses were concurrently used to verify and confirm the degrees of substitution in each new polymer. Gel permeation chromotography (GPC) data were generated to monitor the changes in molecular weight (DP_w) as the synthesis progressed, and the compound average decrease in cellulose DP_w was ～ 27%. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) were used to characterize the decomposition of all polymers. The degradation temperatures ( °C) and percent char at 500 °C of cellulose derivatives 2 to 6 were 308.6 and 6.3%, 227.6 °C and 9.7%, 273.9 °C and 30.2%, 200.4 °C and 25.6%, and 207.2 °C and 27.0%, respectively. The glass transition temperature (T_g) of­6‐O‐tritylcellulose by dynamic mechanical analysis (DMA) occurred at 126.7 °C and the modulus (E′, Pa) dropped 8.9 fold in the transition from ?150 °C to + 180 °C (6.6 × 10⁹ to 7.4 × 10⁸ Pa). Modulus at 20 °C was 3.26 × 10⁹ Pa. Complete proton and carbon‐13 chemical shift assignments of the repeating unit of the title polymer were made by a combination of the HMQC and COSY NMR methods. Ultimate non‐destructive proof of carbon–carbon bond formation at C6 of the anhydroglucose moiety was established by generating correlations between resonances of CH₂6 (anhydroglucose) and C1′, H2′, and H6′ of the attached aryl ring using the heteronuclear multiple‐bond correlation (HMBC) method. In this study, we achieved three major objectives: (a) new methodologies for the chemical modification of cellulose were developed; (b) new cellulose derivatives were designed, prepared and characterized; (c) unequivocal structural proof for carbon–carbon bond formation with cellulose was derived non‐destructively by use of one‐ and two‐dimensional NMR methods. Copyright © 2002 John Wiley & Sons, Ltd.     

Crystal structures of 1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione and 1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1,3-propanedione

1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione crystallizes in the triclinic space group (a=5.4233(5),b=13.910(1),c=17.036(1) Å, =68.311(6), =80.854(7), =78.760(8)°) as two independent enolic tautomers in which the hydroxyl and phenolic protons are hydrogen bonded to the ketonic oxygen atom. The structure was refined toR=0.039 for 2085I3(I) reflections. 1-(1,3-Benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-1,3-propanedione, which belongs to the triclinic space group (a=7.3990(7),b=8.1239(5),c=14.004(1) Å, =86.673(6). =88.574(7), =64.885(7)°) also exists in the enolic form. The structure was refined toR=0.040 for 1564I3(I) reflections.     

Experimental Investigation on Thermophysical Properties of Ammonium-Based Protic Ionic Liquids and Their Potential Ability towards CO2 Capture

Ionic liquids, which are extensively known as low-melting-point salts, have received significant attention as the promising solvent for CO₂ capture. This work presents the synthesis, thermophysical properties and the CO₂ absorption of a series of ammonium cations coupled with carboxylate anions producing ammonium-based protic ionic liquids (PILs), namely 2-ethylhexylammonium pentanoate ([EHA][C5]), 2-ethylhexylammonium hexanoate ([EHA][C6]), 2-ethylhexylammonium heptanoate ([EHA][C7]), bis-(2-ethylhexyl)ammonium pentanoate ([BEHA][C5]), bis-(2-ethylhexyl)ammonium hexanoate ([BEHA][C6]) and bis-(2-ethylhexyl)ammonium heptanoate ([BEHA][C7]). The chemical structures of the PILs were confirmed by using Nuclear Magnetic Resonance (NMR) spectroscopy while the density (ρ) and the dynamic viscosity (η) of the PILs were determined and analyzed in a range from 293.15K up to 363.15K. The refractive index (n_D) was also measured at T = (293.15 to 333.15) K. Thermal analyses conducted via a thermogravimetric analyzer (TGA) and differential scanning calorimeter (DSC) indicated that all PILs have the thermal decomposition temperature, T_d of greater than 416K and the presence of glass transition, T_g was detected in each PIL. The CO₂ absorption of the PILs was studied up to 29 bar at 298.15 K and the experimental results showed that [BEHA][C7] had the highest CO₂ absorption with 0.78 mol at 29 bar. The CO₂ absorption values increase in the order of [C5] < [C6] < [C7] anion regardless of the nature of the cation.     

Modulation instability analysis,optical and other solutions to the modified nonlinear Schrödinger equation

This paper studies the new families of exact traveling wave solutions with the modified nonlinear Schrödinger equation, which models the propagation of rogue waves in ocean engineering. The extended Fan sub-equation method with five parameters is used to find exact traveling wave solutions. It has been observed that the equation exhibits a collection of traveling wave solutions for limiting values of parameters. This method is beneficial for solving nonlinear partial differential equations, because it is not only useful for finding the new exact traveling wave solutions, but also gives us the solutions obtained previously by the usage of other techniques (Riccati equation, or first-kind elliptic equation, or the generalized Riccati equation as mapping equation, or auxiliary ordinary differential equation method) in a combined approach. Moreover, by means of the concept of linear stability, we prove that the governing model is stable. 3D figures are plotted for showing the physical behavior of the obtained solutions for the different values of unknown parameters with constraint conditions.