Association Mechanism and Conformational Changes in Trypsin on Its Interaction with Atrazine: A Multi- Spectroscopic and Biochemical Study with Computational Approach

Atrazine (ATR) is a herbicide globally used to eliminate undesired weeds. Herbicide usage leads to various adverse effects on human health and the environment. The primary source of herbicides in humans is the food laced with the herbicides. The ATR binding to trypsin (TYP) was investigated in this study to explore its binding potential and toxicity. In vitro interaction of ATR with TYP was studied using multi-spectroscopic methods, molecular docking, and enzyme kinetics to explore the mechanism of binding for the TYP-ATR system. The TYP-ATR complex revealed binding constants (10³ M⁻¹), suggesting a moderate binding. The free energy for the TYP-ATR complexes was negative, suggesting a spontaneous interaction. Thermodynamic parameters enthalpy (ΔH) and entropy (ΔS) obtained positive values for the TYP-ATR system suggesting hydrophobic interactions in the binding process. Micro-environmental and conformational changes in TYP molecules were induced on interaction with ATR. Reduced catalytic activity of TYP was observed after interaction with ATR owing to the changes in the secondary structure of the TYP.     

New modified-majority voter-based efficient QCA digital logic design

ABSTRACT

Quantum-dot cellular automata (QCA) is an emerging nanotechnology and a possible alternative solution to the limitation of complementary metal oxide semiconductor (CMOS) technology. One of the most attractive fields in QCA is the implementation of configurable digital systems. This article presents a novel multifunctional gate called the modified-majority voter (MMV). The proposed gate works on the explicit interaction of the cell characteristic property for the implementation of digital circuits. This prominent feature of the proposed gate reduces the maximum hardware cost and implements highly efficient QCA structures. To verify the functionality of the proposed gate, some physical proofs, truth table and computational simulation results are performed. These results assured the validity of the existence of the proposed gate. It also dissipates less energy which has been calculated under three separate tunnelling energy levels using the QCAPro tool. To prove the effectiveness of the proposed MMV gate, several optimal irreversible arithmetic circuits such as three-input XOR, half-adder and full-adder are proposed. The modular layouts are verified with the freely available QCADesigner tool version 2.0.3.     

Moisture Adsorption Isotherms of Watermelon Seed and Kernels

The moisture adsorption isotherms of watermelon seeds and kernels from Citrullus lanatus Cv Mateera and Citrullus vulgaris Cv Sugar baby were obtained using standard static method with saturated salt solutions over a range of water activities from 0.113 to 0.92 at 20–60°C. The adsorption capacity of seeds decreased with the increase in temperature at constant water activity. Sorption models were used to explain the adsorption behavior involving water activity and moisture content (Type I) and also temperature (Type II). Oswin's models gave best fit among Type I with coefficient of determination of 0.953–0.995, standard error of 0.031–0.0571, mean relative error of 0.071–0.152, and scattered residual plots. Modified Oswin was the best fit model among Type II for the seeds and kernels of both the cultivars with coefficient of determination of 0.997–0.999, standard error of 0.151–0.255, mean relative error of 0.018–0.244, and scattered residual plots. The net isoelectric heat of adsorption, estimated from Clausius-Clapeyron decreased from about 27.0 to 0.5 kJ/mol in kernels and 18.0 to 0.5 kJ/mol in seeds of both the cultivars as the moisture content increased from 5 to 25% (dry basis).     

Sorption Isotherms and Drying Characteristics of Tomato Peel Isolated from Tomato Pomace

Tomato peel was separated from pomace by sedimentation and dried in cabinet and fluidized-bed dryer at 50–70°C using 4–12 kg/m²tray load. The drying of tomato peel took place under the falling rate period and the drying behavior was well described by Page's model with coefficient of determination greater than 0.99 and standard error of 0.003–0.016. A fluidized-bed dryer was much more efficient than a cabinet dryer to dry tomato peel. The moisture adsorption isotherms of tomato peel were obtained by equilibrating above saturated salt solutions of known a _w (0.113–0.92) at 20–60°C. The data were analyzed using fifteen sorption models based on coefficient of determination, standard error, and residual plots. Modified Henderson was the best model for tomato peel with coefficient of determination >0.99, standard error <0.210, and a scattered residual plot. The net isostearic heat of sorption, estimated using the Clausius-Clapeyron equation, was 0.74–23.23 kJ/mol at 2.0–2.5% moisture content (dry basis).     

Impacts of Refining and Antioxidants on the Physico-Chemical Characteristics and Oxidative Stability of Watermelon Seed Oil

Compositional analyses of seeds from two cultivars (Mateera and Sugar baby) was performed to evaluate their suitability as oilseeds. Watermelon seeds and kernels contained 21.9–25.5 % and 38.9–46.9 % oil of exceptionally high quality. The crude oil was expelled with a screw press and then refined to obtain a odor free and colorless oil. The moisture content, unsaponifiable matter content, refractive index, and specific gravity were within the narrow ranges. Refining influenced the color, acid value, saponification value, peroxide value, and free fatty acid contents. Linoleic acid (C18:2) was the principal fatty acid constituting 64.5–67.2 % of the total fatty acids. Oxidative stability increased with the addition of tocopherols, butylated hydroxyl anisole (BHA), and tert-butyl hydroxyl quinine (TBHQ). The high amount of polyunsaturated fatty acids (PUFA) along with physicochemical properties were similar to soybeans, sunflower and other common vegetable oils, suggesting the suitabilty of watermelon seed oil for industrial production.     

Perpetual effect of laser surface texturing on tribological properties of Ti3SiC2/GNP composite—A fretting wear study

Tribological properties of Ti₃SiC₂ ceramic and Ti₃SiC₂/GNP composite were investigated using fretting sliding against Si₃N₄ ball counter body at a load of 50 N for a sliding distance of 900 m, under non-textured lubricated (NTL), textured lubricated (TL) condition, and textured lubricated high temperature (TLHT). This paper presents the influence of laser surface texturing (LST) on Ti₃SiC₂ and its graphene nanoplatelets (GNP) reinforced composite established through spark plasma sintering (SPS), tested under fretting wear conditions. The coefficient of friction and wear rate of Ti₃SiC₂ and its graphene nanoplatelets reinforced composites were incontrovertibly enhanced with laser surface texturing as compared to non-textured Ti₃SiC₂ and its GNP composite. The TL surface of Ti₃SiC₂ composite reinforced with 15% GNP showed the lowest COF and wear rate. Almost negligible changes were observed for TLHT tests. The LST proved to an efficient technique for enhancing the friction and wear properties of Ti₃SiC₂ and Ti₃SiC₂/GNP composite.     

Characterisation and functional properties of proteins of some Indian chickpea (Cicer arietinum) cultivars

BACKGROUND: Chickpea (Cicer arietinum L.) proteins have received attention during recent years owing to their higher biological values and better functional ingredients than oilseed proteins. In this study the composition, fractionation, electrophoretic behaviour and functional properties of five chickpea protein concentrates were determined. RESULTS: The chickpea proteins contained 15.9–54.8 g kg^?1 albumin, 48.9–154.1 g kg^?1 globulin, 39.2–76.5 g kg^?1 glutelin and traces of prolamin. Electrophoresis of the various fractions revealed that albumin and globulin were made up of sub‐units of different molecular weights ranging from 7 to 96 kDa. Water and oil absorption of the protein concentrates varied from 1.15 to 2.75 g g^?1 and from 2.60 to 5.65 g g^?1 respectively. Foaming capacity and foam stability of the protein concentrates were good and improved with the addition of salt (10 g L^?1 NaCl) or sugar (100 g L^?1 sucrose) at both isoelectric and neutral pH. Emulsifying capacity and emulsion stability of the protein concentrates were good and excellent respectively. CONCLUSION: Protein concentrates prepared from chickpeas have potential use in food formulations owing to their good emulsifying/foaming and water/oil‐binding capacities. Copyright © 2008 Society of Chemical Industry     

Risk-Based Evaluation for Meeting Future Water Demand of the Brahmaputra Floodplain Within Bangladesh

A risk-based evaluation is performed for meeting future water demands in the Brahmaputra Floodplain Area within Bangladesh (BFA). This evaluation is carried out using three risk-based performance indicators: reliability, resiliency and vulnerability. The vulnerability indicator has been redefined incorporating the aspect of a supply failure. The analysis includes the impacts of climate change on both water demands and resources, and the generation of synthetic flows of the Brahmaputra River using time series models. The simulated values of the indicators reveal that the expected demand of the BFA up to the year 2050 can be supplied with the proposed Brahmaputra Barrage inside Bangladesh under the ‘no change’ in climatic condition, provided that the groundwater remains usable. However, if groundwater becomes unusable due to widespread arsenic contamination and/or a climate change occurs, it would not be possible to meet the future water demand of the region with high reliability, moderate resiliency and low vulnerability.     

Beyond utilitarian factors: User experience and travel company website successes

Travel websites are extensively used by travelers for their travel bookings, yet little is known about the hedonic effectiveness of such experiences for the customer. The end users of these websites are customers who may not always be sophisticated information system (IS) users. Further, traditional utility based measures of customer evaluation are dated with respect to the interactive nature of the technology in use and the hedonic benefits that may result from the use of the technology. The evaluation of IS needs to include hedonic measures facilitated by the interactive technology in addition to the traditional utility based measures. We propose and test an evaluation model for retail travel websites that combines the traditional utility based measures with hedonic measures which collectively create a more comprehensive measure for the IS evaluation of consumer focused websites. Thus rooted in theory, the model extends DeLone and McLean’s model of IS Success by adding the construct of User Experience. The model was tested on a sample of 255 customers of travel websites targeted at the Indian market. The results indicate that both utility based and hedonic measures are important factors for customer IS (travel website in this study) evaluation. The larger implications for theory and practice of IS evaluation are explained.     

Modulation of (+/-)-anti-BPDE mediated p53 accumulation by inhibitors of protein kinase C and poly(ADP-ribose) polymerase

The rapid accumulation of the p53 gene product is considered to be an important component of the cellular response to a variety of genotoxins. In order to gain insights on the biochemical pathways leading to p53 stabilization, the effect of (+/-) 7,8-dihydroxy-anti-9, 10-epoxy-7,8,9,10-tetrahydrobenzo(a)-pyrene [(+/-)-anti-BPDE] induced DNA damage on p53 protein levels was investigated in various repair-proficient and repair-deficient human cells. Brief exposure of normal human fibroblasts to 0.05-1 microM (+/-)-anti-BPDE resulted in elevated p53 protein levels as compared to the constitutive levels of control cells. The rapid induction response, detectable within a few hours, was sustained up to a period of at least 24 h. Repair-proficient and repair-deficient (XPA) human lymphoblastoid cells showed a similar response. The poly(ADP-ribose) polymerase inhibitor, 3-aminobenzamide (3-AB), diminished the p53 induction response by concomitantly decreasing the extent of (+/-)-anti-BPDE induced DNA damage in cells pretreated with the inhibitor. However, the direct involvement of poly ADP-ribosylation was also apparent as 3-AB was able to attenuate (approximately 50%) the p53 response by post-damage inhibitor treatment of the cells. Inhibition of cellular DNA replication by hydroxyurea and AraC, in the presence or absence of DNA damage, also resulted in rapid p53 accumulation in repair-deficient cells. On the contrary, inhibition of protein kinase C (PKC) by calphostin-C led to an abrogation of (+/-)-anti-BPDE mediated p53 induction. Analysis of the downstream effects of carcinogen treatment showed that the lymphoblastoid cells undergo DNA fragmentation indicative of apoptosis while fibroblasts exhibit cell cycle arrest at the G1-S boundary.