A NEW APPROACH FOR THE CLASSIFICATION AND ENUMERATION OF UNIQUE REACTION ROUTES AND UNIQUE OVERALL REACTIONS IN MULTIPLE CHEMICAL REACTION SYSTEMS

The methodology of response reactions (RERs) introduced earlier from thermodynamic and kinetic considerations is used in this work to develop a new algorithm for the classification and enumeration of unique/direct reaction routes (RRs) and overall reactions (ORs). According to the RERs approach, a unique set of both RRs and ORs may be generated starting from any conceivable set of linearly independent RRs and ORs. In particular, the direct ORs may be most conveniently enumerated starting from the formula matrix of the terminal species (reactants and products), i.e., without any relation to the elementary reactions comprising the detailed mechanism. Depending on the type of ORs produced by the RRs one can distinguish between two distinct types of direct RRs. Namely, one option is to define a direct RR by specifying the intermediate species that need to be eliminated. This type of RR is referred to as Milner RRs. The other option is to require the direct RRs to produce RERs, thus resulting in RRs referred to as Happel-Sellers RRs.     

Preparation,structure and properties of transition metal trichalcogenides

In recent years, the transition metal trichalcogenides (TX₃) of Group IVB, VB and VIB have received much more attention because of the considerable diversity in their physical properties. The most striking feature of these compounds is that the structure here may be classified into three types depending on the number of different TX₃ chains present in the unit cell. Thus ZrSe₃, TaSe₃ and NbSe₃ are the representative compounds having one, two and three types of chain based on the different bond lengths for the (X₂)^2– pairs in the base of the TX₃ trigonal prismatic framework. A similar model is also applicable in the case of NbS₃, with the addition of a 2b-superstructure associated with the formation of niobium pairs. The chain structure also facilitates the process of intercalation which has been most effectively used in secondary batteries. These compounds exhibit the superconductivity phenomena and charge density wave, etc. and also find application in photoelectrochemical cells. An attempt has been made here to review the up-to-date chemistry of transition metal trichalcogenides related with their preparation, structure and properties such as physical and chemical, thermodynamic, electrical, magnetic and optical properties, intercalation and use in the photoelectrochemical cells. 93     

Determining the Tensile Stress-Crack Opening Curve of Concrete by Inverse Analysis

The determination of the fundamental stress versus crack opening (σ-w) response of concrete under uniaxial tension is performed in this study through inverse analysis using data from notched beam tests. The procedure used for optimizing the parameters of the σ-w relation using the load versus crack mouth opening displacement response of the notched beam is described. Satisfactory comparisons have been obtained between the σ-w curves obtained through the inverse analysis and those directly measured in uniaxial tension tests. The use of weighting functions in the inverse analysis may be necessary when large crack widths are to be considered.     

Effect of Calcium Lactate, 4-Hexyl Resorcinol and Vacuum Packing on Physico-chemical, Sensory and Microbiological Qualities of Minimally Processed Litchi (Litchi chinensis Sonn.)

Litchi (Litchi chinensis Sonn.) fruits are very susceptible to pericarp browning which adversely affects consumer acceptability even though the aril portion remains in excellent condition. Litchi arils (litchis) were treated with a solution containing 0–2% (w/v) calcium lactate (CL), 0–0.02% (w/v) 4‐hexyl resorcinol (4‐HR) and 1% potassium sorbate. The pH of solution was adjusted to 4.0 with citric acid. Treated litchis were packed in polystyrene trays, over‐wrapped with polypropylene film, vacuum‐packed (0, 47409.3, 94831.9 Pa) and stored at 4 ± 2 °C. Drip losses, pH, total soluble solids (TSS), sensory attributes and microbiological quality of stored samples were estimated. A four‐factor, three‐level experimental design (D₆ Hokes design) with 19 experiments was chosen. Mathematical models were developed to analyse and predict the effect of CL, 4‐HR, in‐package vacuum and storage time on the responses. TSS, pH and sensory scores decreased significantly (P 0.01), whereas drip losses and microbial count increased significantly (P 0.01) with time. Drip loss was significantly (P 0.1) reduced by addition of CL. 4‐HR prevented browning and changes in colour score during storage were significantly less. Vacuum in packages exerted significant (P 0.01) effect over pH, TSS, sensory and microbiological qualities of minimally processed litchis.     

Functional copolymer of geraniol and acrylonitrile: Synthesis and characterization

The radical copolymerization of acyclic terpene namely geraniol [GER] with acrylonitrile [AN] in DMF at (70 ± 0.1)°C for 1 h, using benzoylperoxide (BPO) as an initiator has been carried out under inert atmosphere of nitrogen. The kinetic expression for reaction is R_p ∝ [BPO]^0.5 [AN]^1.0 [GER]^1.0. The IR spectrum of the copolymer shows bands at 3432 and at 2244 cm^?1 due to ? OH group of GER and ? CN group of AN, respectively. The ¹³C‐NMR spectrum shows peaks at 73–75 δ ppm and 116–120 δ ppm due to ? OH group of GER and ? CN group of AN, respectively. The thermogravimetric analysis and differential scanning calorimetry study shows that copolymer is thermally stable up to 407°C and has glass transition temperatures (T_g) 56°C. The reactivity ratios r₁ (AN) and r₂ (GER) have been calculated as 0.05 and 0.005, respectively. The Alfrey‐Price Q‐e parameter for GER has been calculated as 0.094 and ?2.0, respectively. The molecular weights of the copolymers have been evaluated by gel‐permeation chromatography. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

The Shared Benefits of Data Administration

More than just a regulatory body, the data administration group is responsible for planning and promoting the use of information resources. By managing the corporate data base effectively, data administration provides benefits to everyone who depends on the use of accurate information.     

Asymptotic efficiency properties of least squares in an ultrastructural model

This paper considers the estimation of both the intercept term and the slope parameter in a linear ultrastructural model using direct regression and reverse regression methods. Without assuming the errors to be normally distributed, asymptotic expressions for the bias and the variance of the estimators are derived and analyzed. The effect of departure of the errors from normality is also studied.