Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships

The properties of chemicals are rooted in their molecular structure. It follows that structural analysis of specific interactions between ligands and biomolecules at the molecular level is invaluable for defining structure-activity relationships (SARs) and structure-toxicity relationships (STRs). This study has elucidated the structural and molecular basis of interactions of biomolecules with alkyl and aryl halides that are extensively used as components in many commercial pesticides, disinfectants, and drugs. We analyzed the protein structures deposited in Protein Data Bank (PDB) for structural information associated with interactions between halogenated ligands and proteins. This analysis revealed distinct patterns with respect to the nature and structural characteristics of halogen interactions with specific types of atoms and groups in proteins. Fluorine had the highest propensity of interactions for glycine, while chlorine for leucine, bromine for arginine, and iodine for lysine. Chlorine, bromine and iodine had the lowest propensity of interactions for cysteine, while fluorine had a lowest propensity for proline. These trends for highest propensity shifted towards the hydrophobic residues for all the halogens when only interactions with the side chain were considered. Halogens had equal propensities of interaction for the halogen bonding partners (nitrogen and oxygen atoms), albeit with different geometries. The optimal angle for interactions with halogens was approximately 120 degrees for oxygen atoms, and approximately 96 degrees for nitrogen atoms. The distance distributions of halogens with various amino acids were mostly bimodal, and the angle distributions were unimodal. Insights gained from this study have implications for the rational design of safer drugs and commercially important chemicals.     

Comparative evaluation of strain controlled low cycle fatigue behaviour of solution annealed and prior cold worked 316L(N) stainless steel

The effect of 20% prior cold work on low cycle fatigue (LCF) behaviour of type 316L(N) stainless steel (SS) was studied at 873 K by conducting total axial strain controlled tests in air with strain amplitudes in the range ±0.25% to ±1.0%. The cyclic deformation behaviour of 20% prior cold worked (PCW) material was compared with the LCF response of solution annealed (SA) alloy tested under similar conditions. The cyclic stress response (CSR) of 316L(N) SS in the PCW condition was characterized by a short period of hardening followed by prolonged softening prior to failure, whereas SA material exhibited a significant hardening regime followed by stress saturation. Interrupted tests on PCW material were carried out at different stages of CSR in order to determine the underlying mechanisms as reflected in substructural changes. The fatigue life in the solution annealed condition was similar to that of the PCW material at higher strain amplitudes of testing (≥±0.5%) while at lower strain amplitudes, the PCW material exhibited longer life.     

Cloud screening in IRS-P4 OCM satellite data: potential of spatial coherence method in the absence of thermal channel information

Cloud screening of satellite data for the remote sensing of atmospheric aerosols, ocean sediments, chlorophyll, and phytoplankton in the marine environment is a major problem in the absence of information from thermal channel. This is particularly the case with the data from some of the highly potential satellite sensors such as the Ocean Colour Monitor (OCM—on board the Indian Remote Sensing Satellite, IRS-P4) and the SeaWiFS. Two main tests conventionally used for cloud screening of data from such satellite sensors are the threshold method applied to visible and near-IR bands and the visible to near-IR channel ratio method. These methods do not have the potential to eliminate the pixels with small cloud fractions, leading to overestimation of the aerosol optical depth (AOD) derived from satellite data, and might also identify the pixels with high values of AOD as cloudy. The purpose of this paper is to study the potential of Spatial Coherence Test (SCT) applied to the data from the near-IR bands for cloud screening of satellite data over the oceanic environment. We use here the data from IRS-P4 OCM. Though more computationally intensive, the SCT does not suffer from the serious limitations of the threshold and channel ratio methods and is found to be superior in identifying the clear sky pixels that are not affected by clouds. Although the SCT applied to near-IR channel data may be overestimating the number of cloud affected pixels, it neither leads to overestimation of AOD nor identifies the pixels with high AOD values as cloudy.     

Flow Behaviour of Modified 9Cr–1Mo Steel at Elevated Temperatures

In this investigation, the flow behaviour of modified 9Cr–1Mo steel at elevated temperatures is reported. To understand the flow behaviour of the steel, tensile tests were performed at nominal strain rate of 3 × 10^?3 s^?1 and temperatures in the range of 300–823 K. The yield strength and ultimate tensile strength were found to decrease with increase in temperature with a plateau in a intermediate temperature regime (523–673 K). Serrations were also observed in the tensile curve at intermediate temperatures which caused plateau/peak in tensile behaviour of material and was a typical manifestation of dynamic strain ageing. An attempt was made to represent the flow behaviour of the material using different constitutive equations viz., Hollomon, Ludwik, Swift, Ludwigson and Voce. It was observed that the Voce equation could describe the experimental flow curve at different temperatures quite well. Instantaneous work hardening rate with respect to flow stress exhibited two stages of hardening especially at relatively lower temperatures.     

Low-cost adsorbents for heavy metals uptake from contaminated water: a review

In this article, the technical feasibility of various low-cost adsorbents for heavy metal removal from contaminated water has been reviewed. Instead of using commercial activated carbon, researchers have worked on inexpensive materials, such as chitosan, zeolites, and other adsorbents, which have high adsorption capacity and are locally available. The results of their removal performance are compared to that of activated carbon and are presented in this study. It is evident from our literature survey of about 100 papers that low-cost adsorbents have demonstrated outstanding removal capabilities for certain metal ions as compared to activated carbon. Adsorbents that stand out for high adsorption capacities are chitosan (815, 273, 250 mg/g of Hg(2+), Cr(6+), and Cd(2+), respectively), zeolites (175 and 137 mg/g of Pb(2+) and Cd(2+), respectively), waste slurry (1030, 560, 540 mg/g of Pb(2+), Hg(2+), and Cr(6+), respectively), and lignin (1865 mg/g of Pb(2+)). These adsorbents are suitable for inorganic effluent treatment containing the metal ions mentioned previously. It is important to note that the adsorption capacities of the adsorbents presented in this paper vary, depending on the characteristics of the individual adsorbent, the extent of chemical modifications, and the concentration of adsorbate.     

Silver nanoparticle anchored with novel crosslinked beaded polystyrene/polyamidoxime sequential interpenetrating polymer networks (IPNs) and its antibacterial activity

The present article describes the synthesis of silver nanoparticles (SNPs) impregnatated crosslinked beaded polystyrene/polyamidoxime (PSD/PAMD) interpenetrating polymer networks (IPNs). The developed SNPs‐IPNs were tested for the antibacterial activity for water purification. Intially, the crosslinked beaded polystyrene/polyacrylonitrile (PSD/PAN) polymer was synthesized by radical sequential suspension polymerization method therafter, it has been converted into PSD/PAMD‐IPN comprising amidoxime group, which acts as capping agent to anchor the silver ions. The silver ions impregnated with PSD/PAMD‐IPN were converted into SNPs by chemical reduction methodology followed by stabilization without any deterioration or loss in polymer. IR and solid‐state ¹³C NMR spectra were use for the structural characterization of developed SNPs‐IPN, while morphological characterization was examined by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X‐ray diffraction (XRD). The size of the SNPs formed with the networks were found less than 5 nm. The disinfection potential of SNPs‐IPN was evaluated by different antibacterial test. The bactericidal test of SNPs‐IPN revealed the promissing antibacterial efficieny with complete microbial inhibition within 4–6 h. The reusability of the SNPs‐IPN beads was also tested for its repeated use for industrial application. POLYM. COMPOS., 70–80, 2016. © 2014 Society of Plastics Engineers     

Oxidative Stress in Aging-Matters of the Heart and Mind

Oxidative damage is considered to be the primary cause of several aging associated disease pathologies. Cumulative oxidative damage tends to be pervasive among cellular macromolecules, impacting proteins, lipids, RNA and DNA of cells. At a systemic level, events subsequent to oxidative damage induce an inflammatory response to sites of oxidative damage, often contributing to additional oxidative stress. At a cellular level, oxidative damage to mitochondria results in acidification of the cytoplasm and release of cytochrome c, causing apoptosis. This review summarizes findings in the literature on oxidative stress and consequent damage on cells and tissues of the cardiovascular system and the central nervous system, with a focus on aging-related diseases that have well-documented evidence of oxidative damage in initiation and/or progression of the disease. The current understanding of the cellular mechanisms with a focus on macromolecular damage, impacted cellular pathways and gross morphological changes associated with oxidative damage is also reviewed. Additionally, the impact of calorific restriction with its profound impact on cardiovascular and neuronal aging is addressed.