Application of HR-MAS NMR spectroscopy for studying chemotype variations of Withania somnifera (L.) Dunal

Withania somnifera (L.) Dunal (Solanaceae), commonly known as Ashwagandha, is one of the most valued Indian medicinal plants with a number of pharmaceutical and nutraceutical applications. Metabolic profiling has been performed by HR-MAS NMR spectroscopy on fresh leaf and root tissue specimens from four chemotypes of W. somnifera. The HR-MAS NMR spectroscopy of lyophilized defatted leaf tissue specimens clearly distinguishes resonances of medicinally important secondary metabolites (withaferin A and withanone) and its distinctive quantitative variability among the chemotypes. A total of 41 metabolites were identified from both the leaf and root tissues of the chemotypes. The presence of methanol in leaf and root tissues of W. somnifera was detected by HR-MAS NMR spectroscopy. Multivariate principal component analysis (PCA) on HR-MAS (1) H NMR spectra of leaves revealed clear variations in primary metabolites among the chemotypes. The results of the present study demonstrated an efficient method, which can be utilized for metabolite profiling of primary and secondary metabolites in medicinally important plants.     

Kinetics, mechanism, and DFT calculations of thermal degradation of a Zn(II) complex with N-benzyloxycarbonylglycinato ligands

Abstract  

A Zn(II) complex with N-benzyloxycarbonylglycinato ligands was studied by non-isothermal methods, in particular Kissinger–Akahira–Sunose’s method, and further analysis of these results was performed by Vyazovkin’s algorithm and an artificial compensation effect. Density functional theory calculations of thermodynamic quantities were performed, and results obtained by both methods are consistent, thus clarifying the mechanism of this very interesting multi-step degradation.     

The Assessment of Phytoremediation Potential of Invasive Weed Amaranthus spinosus L.

Presently the environment is heavily polluted by various toxic metals, which creates danger for all living beings. Heavy metals are toxic above certain threshold levels. Phytoremediation is an emerging technology which is quite a novel technique of cleaning polluted sites through the use of plants. Phytoremediation methods are comparatively cheap and ecologically advantageous, compared to conventional and physicochemical methods like precipitation, evaporation and chemical reduction. In this respect, plants can be compared to solar-driven pumps capable of extracting and concentrating certain elements from their environment. Amaranthus spinosus, an invasive weed seen on road sides and bare land belonging to the family Amaranthaceae, was selected for the present study. A greenhouse experiment was conducted and consisted of a range-finding test and definitive test for various concentrations of heavy metals Cu, Zn, Cr, Pb and Cd. Plants were grown in soil treated with different concentration of metals depending upon the threshold level. The bio-organics of the plant such as soluble sugar, protein, lipid, phenol, amino acid and photosynthetic pigments were estimated after 30?days of treatment. The bio-organics showed profound variation in response to accumulation of heavy metals. Accumulation of Cu, Pb and Cd was high in the roots followed by stem and leaves and that of Zn and Cr remained high in aerial parts. A steady increase was noticed in the bioaccumulation of copper, zinc and cadmium on enhancing the concentration of the corresponding metal in the soil. The bioconcentration factor and translocation factor were above unity in most of the treatments and increased as the concentration of treatment increased which indicated that A. spinosus is a potential agent for heavy metal accumulation and translocation.     

NO-NSAIDs. Part 3: nitric oxide-releasing prodrugs of non-steroidal anti-inflammatory drugs

In continuation of our efforts to discover novel nitric oxide-releasing non-steroidal anti-inflammatory drugs (NO-NSAIDs) as potentially "Safe NSAIDs," we report herein the design, synthesis and evaluation of 21 new NO-NSAIDs of commonly used NSAIDs such as aspirin, diclofenac, naproxen, flurbiprofen, ketoprofen, sulindac, ibuprofen and indomethacin. These prodrugs have NO-releasing disulfide linker attached to a parent NSAID via linkages such as an ester (compounds 9-16), a double ester (compounds 17-24), an imide (compounds 25-30) or an amide (compounds 31-33). Among these NO-NSAIDs, the ester-containing NO-aspirin (9), NO-diclofenac (10), NO-naproxen (11), and the imide-containing NO-aspirin (25), NO-flurbiprofen (27) and NO-ketoprofen (28) have shown promising oral absorption, anti-inflammatory activity and NO-releasing property, and also protected rats from NSAID-induced gastric damage. NO-aspirin compound 25, on further co-evaluation with aspirin at equimolar doses, exhibited comparable dose-dependent pharmacokinetics, inhibition of gastric mucosal prostaglandin E(2) (PGE(2)) synthesis and analgesic properties to those of aspirin, but retained its gastric-sparing properties even after doubling its oral dose. These promising NO-NSAIDs could therefore represent a new class of potentially "Safe NSAIDs" for the treatment of arthritic pain and inflammation.     

Stability analysis of an HIV/AIDS epidemic model with treatment

An HIV/AIDS epidemic model with treatment is investigated. The model allows for some infected individuals to move from the symptomatic phase to the asymptomatic phase by all sorts of treatment methods. We first establish the ODE treatment model with two infective stages. Mathematical analyses establish that the global dynamics of the spread of the HIV infectious disease are completely determined by the basic reproduction number _ℜ0${\Re }_0$. If _ℜ0≤1${\Re }_0\le 1$, the disease-free equilibrium is globally stable, whereas the unique infected equilibrium is globally asymptotically stable if _ℜ0>1${\Re }_0>1$. Then, we introduce a discrete time delay to the model to describe the time from the start of treatment in the symptomatic stage until treatment effects become visible. The effect of the time delay on the stability of the endemically infected equilibrium is investigated. Moreover, the delay model exhibits Hopf bifurcations by using the delay as a bifurcation parameter. Finally, numerical simulations are presented to illustrate the results.     

Surface plasmon band tailoring of plasmonic nanostructure under the effect of water radiolysis by synchrotron radiation

Plasmonic metal nanostructures have a significant impact on a diverse domain of fields, including photocatalysis, antibacterial, drug vector, biosensors, photovoltaic cell, optical and electronic devices. Metal nanoparticles (MNps) are the simplest nanostructure promising ultrahigh stability, ease of manufacturing and tunable optical response. Silver nanoparticles (AgNp) dominate in the class of MNps because of their relatively high abundance, chemical activity and unique physical properties. Although MNps offer the desired physical properties, most of the synthesis and fabrication methods lag at the electronic grade due to an unbidden secondary product as a result of the direct chemical reduction process. In this paper, a facile protocol is presented for fabricating high‐yield in situ plasmonic AgNps under monochromatic X‐rays irradiation, without the use of any chemical reducing agent which prevents the formation of secondary products. The ascendancy of this protocol is to produce high quantitative yield with control over the reaction rate, particle size and localized surface plasmon resonance response, and also to provide the feasibility for in situ characterization. The role of X‐ray energy, beam flux and integrated dose towards the fabrication of plasmonic nanostructures has been studied. This experiment extends plasmonic research and provides avenues for upgrading production technologies of MNps.     

Projected Shell Model Description of Positive Parity Band of <Superscript>130</Superscript>Pr Nucleus

Theoretical investigation of positive parity yrast band of odd-odd ¹³⁰Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in ¹³⁰Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh _11/2???νh _11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B(M1) / B(E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25⁺, which is far above the known experimental spin of 18⁺ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B(E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.     

Signals of leptophilic dark matter at the ILC

Adopting a model independent approach, we constrain the various effective interactions of leptophilic DM particles with the visible world from the WMAP and Planck data. The thermally averaged indirect DM annihilation cross section and the DM–electron direct-detection cross section for such a DM candidate are observed to be consistent with the respective experimental data. We study the production of cosmologically allowed leptophilic DM in association with \(Z\, (Z\rightarrow f\bar{f})\), \(f\equiv q,\,e^-,\, \mu ^-\) at the ILC. We perform the \(\chi ^2\) analysis and compute the 99% C.L. acceptance contours in the \(m_\chi \) and \(\varLambda \) plane from the two-dimensional differential distributions of various kinematic observables obtained after employing parton showering and hadronisation to the simulated data. We observe that the dominant hadronic channel provides the best kinematic reach of 2.62 TeV (\(m_\chi \) = 25 GeV), which further improves to \(\sim \)3 TeV for polarised beams at \(\sqrt{s} = 1\) TeV and an integrated luminosity of 1 ab\(^{-1}\).     

Design and Performance Analysis of High Speed Optical Binary Code Converter using Micro-Ring Resonator

The present paper describes various attractive logical code conversions using optical micro-ring resonator. We have proposed an all-optical switching activity using silicon waveguide based micro-ring resonator under low-power operation through two-photon absorption effect. The different properties of the optical switch are analyzed through numerical simulation. We have also proposed and described all-optical binary-to-octal, binary-coded-decimal-to-excess-3 and binary-to-Gray-code converter circuits by this proposed architecture. Numerical simulation results for code conversion verifying the proposed methods are given in this paper. We identify a combination of feasible ring radius and detuning through numerical simulation that allows analyzing the system performance of the scheme.     

Total synthesis and structure revision of petrobactin

The total synthesis and the revised structural assignment of petrobactin, a siderophore isolated from the marine bacterium Marinobacter hydrocarbonoclasticus, is reported. The key step in the synthesis involved condensation of N¹-(2,3-dibenzoyloxybenzoyl)-N⁴-benzylspermidine with 1,3-di-(p-nitrophenyl)-2-tert-butyl citrate. Proton NMR spectra of the synthesized product compared with those reported for the natural product revealed that the compound did not contain 2,3-dihydroxybenzoyl moieties as published; instead, the splitting pattern suggested 3,4-dihydroxybenzoyl fragments. The 3,4-dihydroxybenzoyl analogue was accessed via a similar route; the proton and carbon-13 NMR spectra of this compound were consistent with those reported for natural petrobactin.