Structural, thermal and quantum chemical studies of p-coumaric and caffeic acids

Two hydroxycinnamic acids viz., p-coumaric, and caffeic acids have been extracted and purified from Parthenium hysterophorus, subsequently characterized by elemental analysis, FT-IR, NMR, single crystal X-ray crystallography. The optimized structures of these acids were calculated in terms of density functional theory by Gaussian 09. The validation of experimental and theoretically obtained data for structural parameters such as bond lengths and bond angles has have been carried out to analyze the statistical significance by curve fitting analysis and the values of correlation coefficient found to be 0.985, 0.992, and 0.984, 0.975 in p-coumaric, and caffeic acids, respectively. The calculated HOMO and LUMO energies show the eventual charge transfer interaction within the molecule. Thermal studies were also carried out by thermogravimetry (TG), differential thermogravimetric analysis (DTA), and derivative thermogravimetry (DTG). (C) 2014 Elsevier B.V. All rights reserved.

Assessing ``inherent vulnerability'' of forests: a methodological approach and a case study from Western Ghats, India

The objective of this study is to present a methodological approach to assess the inherent vulnerability of forests and apply it to a case study. Addressing inherent vulnerability, resulting from current stresses, is a necessary step for building resilience to long-term climate change. The proposed approach includes use of analytical framework that enables selection of vulnerability criteria and indicators systematically, application of pairwise comparison method (PCM) for assigning weights, and synthesis of a composite vulnerability index. This methodological approach has been applied at local scale to Aduvalli Protected Forest in Western Ghats in South India, where a vulnerability index value of 0.248 is estimated. Results of the case study indicate that `preponderance of invasive species' and forest dependence of community are the major sources of vulnerability at present for Aduvalli Protected Forest. Adoption of this methodology can assist in development of forest management plans to enhance adaptability of Aduvalli PF to current as well as future stresses, including climate change. This methodological approach can be applied across forest-types after appropriate changes to criteria and indicators and their weights, to estimate the inherent vulnerability to enable development of adaptation strategy.

THREE-LAYER FLUID FLOW OVER A SMALL OBSTRUCTION ON THE BOTTOM OF A CHANNEL

Many boundary value problems occur in a natural way while studying fluid flow problems in a channel. The solutions of two such boundary value problems are obtained and analysed in the context of flow problems involving three layers of fluids of different constant densities in a channel, associated with an impermeable bottom that has a small undulation. The top surface of the channel is either bounded by a rigid lid or free to the atmosphere. The fluid in each layer is assumed to be inviscid and incompressible, and the flow is irrotational and two-dimensional. Only waves that are stationary with respect to the bottom profile are considered in this paper. The effect of surface tension is neglected. In the process of obtaining solutions for both the problems, regular perturbation analysis along with a Fourier transform technique is employed to derive the first-order corrections of some important physical quantities. Two types of bottom topography, such as concave and convex, are considered to derive the profiles of the interfaces. We observe that the profiles are oscillatory in nature, representing waves of variable amplitude with distinct wave numbers propagating downstream and with no wave upstream. The observations are presented in tabular and graphical forms.

MPTP activates ASK1-p38 MAPK signaling pathway through TNF-dependent Trx1 oxidation in parkinsonism mouse model

Activation of apoptosis signal regulating kinase 1 (ASK1)-p38 MAPK death signaling cascade is irn plicated in the death of dopaminergic neurons in substantia nigra in Parkinson's disease (PD). We investigated upstream activators of ASK1 using an MPTP mouse model of parkinsonism and assessed the temporal cascade of death signaling in ventral midbrain (VMB) and striatum (ST). MPTP selectively activated ASK1 and downstream 1)38 MAPK in a time dependent manner in VMB alone. This occurred through selective protein thiol oxidation of the redox-sensitive thiol disulfide oxidoreductase, thiorcdoxin (Trxl), resulting in release of its inhibitory association with ASK1, while glutathione-S-transferase ji 1 (GSTM1) remained in reduced form in association with ASK1. Levels of tumor necrosis factor (TNF), a known activator of ASK1, increased early after MPTP in VMB. Protein ovariation netvvork analysis (PCNA) using protein states as nodes revealed TNF to be an important node regulating the ASK1 signaling cascade. In confirmation, blocking MPTP-mecliated TNF signaling through intrathecal administration of TNFneutralizing antibody prevented Trxl oxidation and downstream ASK1-p38 MAPK activation. Averting an early increase in TNF, which leads to protein thiol oxidation resulting in activation of ASK1-p38 signaling, may be critical for neuroprotection in PD. Importantly, network analysis can help in understanding the cause/effect relationship within protein networks in complex disease states. (C) 2015 Published by Elsevier Inc.

Photocytotoxic luminescent lanthanide complexes of DTPA-bisamide using quinoline as photosensitizer

Lanthanide complexes Ln(DTPAAQ)(DMF)] (1-3) (Ln - Pr (1), Eu (2), Tb (3), H(3)DTPAAQ - N, N `'-bis(3-amidoquinolyl) diethylenetriamine-N, N', N `'-triacetic acid, DMF - N, N-dimethylformamide) were studied for their structures, photophysical properties, DNA and protein binding, DNA photocleavage, photocytotoxicity and cellular internalization. The crystal structures of complexes Ln(DTPAAQ)(DMF)] (1-3) display a discrete mononuclear nine-coordinate {LnN(3)O(6)} tricapped-trigonal prism (TTP) coordination geometry. The europium and terbium complexes show strong luminescence properties in the visible region having a long luminescence lifetime (tau = 0.51-0.64 ms). The conjugated 3-aminoquinoline moieties act as efficient light harvesting antennae, which upon photoexcitation transfer their energy to Eu(III) or Tb(III) for their characteristic D-5(0) -> F-7(J) or D-5(4) -> F-7(J) f-f transitions respectively. The complexes display efficient binding affinity to DNA (K-b = 3.4 x 10(4) - 9.8 x 10(4) M-1) and BSA (KBSA = 3.03 x 10(4) - 6.57 x 10(4) M-1). Europium and terbium complexes give enhanced luminescence upon interacting with CT-DNA suggesting possible luminescence-based sensing applications for these complexes. Complexes 1-3 show moderate cleavage of supercoiled (SC) DNA to its nicked circular (NC) form on exposure to UV-A light of 312 nm involving formation of singlet oxygen (O-1(2)) and hydroxyl radicals (cOH) in type-II and photoredox pathways. Eu(III) and Tb(III) complexes exhibit remarkable photocytotoxicity with human cervical cancer cell line (HeLa) (IC50 = 20.7-28.5 mM) while remaining essentially noncytotoxic up to 150 mM in the dark. Complexes are nontoxic in nature thus suitable for designing cellular imaging agents. Fluorescence microscopy data reveal primarily cytosolic localization of the Eu(III) and Tb(III) complexes in HeLa cells.

Tracking the migration of the Indian continent using the carbonate clumped isotope technique on Phanerozoic soil carbonates

Approximately 140 million years ago, the Indian plate separated from Gondwana and migrated by almost 90 degrees latitude to its current location, forming the Himalayan-Tibetan system. Large discrepancies exist in the rate of migration of Indian plate during Phanerozoic. Here we describe a new approach to paleo-latitudinal reconstruction based on simultaneous determination of carbonate formation temperature and delta O-18 of soil carbonates, constrained by the abundances of C-13-O-18 bonds in palaeosol carbonates. Assuming that the palaeosol carbonates have a strong relationship with the composition of the meteoric water, delta O-18 carbonate of palaeosol can constrain paleo-latitudinal position. Weighted mean annual rainfall delta O-18 water values measured at several stations across the southern latitudes are used to derive a polynomial equation: delta(18)Ow = -0.006 x (LAT)(2) - 0.294 x (LAT) - 5.29 which is used for latitudinal reconstruction. We use this approach to show the northward migration of the Indian plate from 46.8 +/- 5.8 degrees S during the Permian (269 M. y.) to 30 +/- 11 degrees S during the Triassic (248 M. y.), 14.7 +/- 8.7 degrees S during the early Cretaceous (135 M. y.), and 28 +/- 8.8 degrees S during the late Cretaceous ( 68 M. y.). Soil carbonate delta O-18 provides an alternative method for tracing the latitudinal position of Indian plate in the past and the estimates are consistent with the paleo-magnetic records which document the position of Indian plate prior to 135 +/- 3 M. y.

Control of vortex shedding at moderate Reynolds numbers

The suppression method of vortex shedding from a circular cylinder has been studied experimentally in the Reynolds number range from 300 to 1600. The test is performed in a water channel. The model cylinder is 1 cm in diameter and 38 cm in length. A row of small rods of 0.18 cm in diameter and 1.5 cm in length are perpendicularly connected to the surface of the model cylinder and distributed along the meridian, The distance between the neighboring rods and the angle of attack of the rods can be changed so that the suppression effect on vortex shedding can be adjusted. The results show that vortex shedding can be suppressed effectively if the distance between the neighboring rods is smaller than 3 times and the cylinder diameter and the angle of attack is in the range of 30degreesless than or equal tobeta<90&DEG;.

Laser microstructuring of Si surfaces for low-threshold field-electron emission

Dense arrays of high aspect ratio Si micro-pyramids have been formed by cumulative high intensity laser irradiation of doped Si wafers in an SF6 environment. A comparative study using nanosecond (XeCl, 308 nm) and femtosecond (Ti: Sapphire, 800 nm and KrF, 248 nm) laser pulses has been performed in this work. The influence of pulse duration and ambient gas pressure (SF6) is also presented. Scanning electron microscopy has shown that upon laser irradiation conical features appear on the Si surface in a rather homogenous distribution and with a spontaneous self alignment into arrays. Their lowest tip diameter is 800 nm; while their height reaches up to 90 mum. Secondary tip decoration appears on the surface of the formed spikes. Areas of 2 X 2 mm(2) covered with Si cones have been tested as cold cathode field emitters. After several conditioning cycles, the field emission threshold for the studied Si tips is as low as 2 V/mum, with an emission current of 10(-3) A/cm(2) at 4 V/mum. Even though these structures have smaller aspect ratios than good quality carbon nanotubes, their field emission properties are similar. The simple and direct formation of field emission Si arrays over small pre-selected areas by laser irradiation could lead to a novel approach for the development of electron sources. (C) 2003 Elsevier B.V. All rights reserved.

Colliding-pulse modelocked quantum dot lasers

Colliding pulse modelocking is demonstrated for the first time in quantum dot lasers. Using 3.9 mm-long devices with a 245 pm-long central absorber, 7 ps pulses at a repetition rate of 20 GHz is obtained. For Gaussian pulses a time-bandwidth product close to the Fourier transform limit is determined. These results confirm the potential of quantum dot lasers for high repetition rate harmonic modelocking.

固井工程中的流动问题

同井是油气在建过程中的重要工程，一般分下套管和注水泥两个过程．本文结合作者近年来的研究，着重阐述了钻井液、前置液、水泥浆在环形空间中流动的流体力学问题，包括：高温高压下的水泥浆流变性、偏心环形空间中浆液的流动特性、钻井液-前置液和前置液-水泥浆界面的稳定性等，介绍了国内外学者对这些问题的研究进展，提出了今后应深入研究的问题.

The Heterogeneous Growth of P(3MeTh)--An Ellipsometric Study

Successive thicker P(3MeTh) layers are analysed by ex situ conventional and imaging ellipsometry. Thin films display a smooth surface, are compact and homogeneous while for a growth charge above 20 mC cm(-2) the polymer structure modifies to a still uniform but less dense layer. A two-layer model is used and a mathematical procedure is developed to obtain, simultaneously, from the experimental ellipsometric parameters, Delta and Psi, the thickness and the complex refractive index of P(3MeTh) films grown up to 80 mC cm(-2). Thicker polymer layers are disordered and present a high degree of surface roughness.