On the spectroscopic examination of printed documents by using a field emission scanning electron microscope with energy-dispersive X-ray spectroscopy (FE-SEM-EDS) and chemometric methods: application in forensic science

Analytical and Bioanalytical Chemistry - The detection of computer-generated document forgeries has always been a challenging task for forensic document examiners (FDE). With the aim to support the...     

Chemical Composition of Essential Oil from Pilea microphylla and its Antimicrobial Activity

Chemistry of Natural Compounds -     

Effect of rotation in magneto-thermoelastic transversely isotropic hollow cylinder with three-phase-lag model

This article deals with the various heat source responses in a transversely isotropic hollow cylinder under the purview of three-phase-lag (TPL) generalized thermoelasticity theory. In presence of magnetic field and due to the rotating behavior of the cylinder, the governing equations are redefined for generalized thermoelasticity with thermal time delay. In order to obtain the stress, displacement and temperature field, the field functions are expressed in terms of modified Bessel functions in Laplace transformed domain. When the outer radius of hollow cylinder tends to infinity, the corresponding results are discussed. Finally an appropriate Laplace transform inversion technique is adopted.     

Lossy mode resonance-based uniform core tapered fiber optic sensor for sensitivity enhancement

A lossy mode resonance (LMR)-supported fiber optic sensor in which a uniform fiber core is placed among two identical tapered regions, is investigated numerically. Indium tin oxide (ITO) and aluminum-doped zinc oxide (AZO) are considered as LMR active materials used to excite several lossy modes and gold and silver are used as surface plasmon resonance (SPR) active materials. In this probe design, a central uniform core coated with ITO/AZO is the active sensing region, whereas tapered regions are meant for bringing the incident angle close to the critical angle. The sensitivity of the present fiber optic bio-sensor is evaluated for first two LMRs utilizing both ITO and AZO separately, along with its variation with the taper ratio (TR). For ITO, the maximum sensitivity values are observed to be 18.425 μm RIU⁻¹ (refractive index unit) and 0.825 μm RIU⁻¹, corresponding to the first and second LMRs, respectively, at a TR of 1.6 and for AZO, equivalent values are 0.79 μm RIU⁻¹ and 0.35 μm RIU⁻¹, respectively, at a TR of 2.0. The results illustrate that the first LMR is more sensitive than the second LMR and the ITO-coated probe possesses greater sensitivity than the AZO-coated probe for both LMRs. Similarly, for the fiber optic SPR sensor, the maximum value of sensitivity is 5.6425 μm RIU⁻¹, in the case of gold and 5.0615 μm RIU⁻¹ in the case of silver, at a TR of 1.6. Hence, the result shows that the sensor with the present fiber optic probe design has around a 3-fold enhancement in sensitivity compared with conventional SPR sensors. This study will have applications in many sensing schemes where the requirement of large sensitivity is vital.     

Decay of Hot and Rotating $${}^{\boldsymbol{88}}$$ Mo $${}^{\boldsymbol{*}}$$ at Incident Energies of 300, 450, and 600 MeV

Physics of Atomic Nuclei - The reaction mechanism for the decay of the hot and rotating compound system $${}^{88}$$ Mo $${}^{*}$$ formed in $${}^{48}\textrm{Ti}+^{40}$$ Ca reaction and the time for...     

Fundamental solution of steady oscillations in thermoelastic medium with voids

ABSTRACT

The article deals with the study of plane wave propagation in the thermoelastic medium in the presence of voids. The problem is considered in the context of three-phase-lag model of generalized thermoelasticity. There exists three longitudinal waves, namely elastic (E-mode), thermal (T-mode) and volume fraction (V-mode) in addition to transverse waves which get decoupled from the rest of motion and not affected by thermal and volume fraction fields. The fundamental solution of the system of differential equations in case of steady oscillations in terms of the elementary functions has been constructed. The phase velocity and attenuation coefficient of these waves are computed numerically and presented graphically.     

Probing the Local Magnetic Structure of the [FeIII(Tp)(CN)3]− Building Block Via Solid-State NMR Spectroscopy,Polarized Neutron Diffraction,and First-Principle Calculations

The local magnetic structure in the [Fe^III(Tp)(CN)₃]⁻ building block was investigated by combining paramagnetic Nuclear Magnetic Resonance (pNMR) spectroscopy and polarized neutron diffraction (PND) with first-principle calculations. The use of the pNMR and PND experimental techniques revealed the extension of spin-density from the metal to the ligands, as well as the different spin mechanisms that take place in the cyanido ligands: Spin-polarization on the carbon atoms and spin-delocalization on the nitrogen atoms. The results of our combined density functional theory (DFT) and multireference calculations were found in good agreement with the PND results and the experimental NMR chemical shifts. Moreover, the ab-initio calculations allowed us to connect the experimental spin-density map characterized by PND and the suggested distribution of the spin-density on the ligands observed by NMR spectroscopy. Interestingly, significant differences were observed between the pseudo-contact contributions of the chemical shifts obtained by theoretical calculations and the values derived from NMR spectroscopy using a simple point-dipole model. These discrepancies underline the limitation of the point-dipole model and the need for more elaborate approaches to break down the experimental pNMR chemical shifts into contact and pseudo-contact contributions.     

Transition-Metal-Free Reverse Reactivity of (2-Alkynyl)-Arylaldimines: Assembly of Functionalized Amino-Indinones

Transition-metal-free regioselective synthesis of functionalized amino-indenones by the reaction of ortho-alkynylaldehydes with a broad range of primary amines by intramolecular cyclization has been described. The designed reaction proceeds through KOH-mediated Prins-type cyclization and DMSO-promoted oxidation of the cyclopent-2-en-1-one system. The proposed mechanism and role of solvent were well supported by control experiments. For the first time, we have disclosed the reverse reactivity of (2-alkynyl)-arylaldimines in a super basic system.     

How does a hydrocarbon staple affect peptide hydrophobicity?

Water is essential for the proper folding of proteins and the assembly of protein–protein/ligand complexes. How water regulates complex formation depends on the chemical and topological details of the interface. The dynamics of water in the interdomain region between an E3 ubiquitin ligase (MDM2) and three different peptides derived from the tumor suppressor protein p53 are studied using molecular dynamics. The peptides show bimodal distributions of interdomain water densities across a range of distances. The addition of a hydrocarbon chain to rigidify the peptides (in a process known as stapling) results in an increase in average hydrophobicity of the peptide–protein interface. Additionally, the hydrophobic staple shields a network of water molecules, kinetically stabilizing a water chain hydrogen‐bonded between the peptide and MDM2. These properties could result in a decrease in the energy barrier associated with dehydrating the peptide–protein interface, thereby regulating the kinetics of peptide binding. © 2015 Wiley Periodicals, Inc.     

Improvement in the yield and quality of kalmegh (Andrographis paniculata Nees) under the sustainable production system

Andrographis paniculata Nees is an annual erect herb with wide medicinal and pharmacological applications due to the presence of andrographolide and other active chemical constituents. The large-scale cultivation of the kalmegh is not in practice. The aim of this study was to establish sustainable production systems of A. paniculata cv CIM-Megha with the application of different bioinoculants and chemical fertilisers. A. paniculata herb and andrographolide yield in the dried leaves was found to be highest (218% and 61.3%, respectively) in treatment T₃ (NPK+Bacillus sp.) compared with T₁ (control). The soil organic carbon, soil microbial respiration, soil enzymes activity and available nutrients improved significantly with combined application of bioinoculants and chemical fertilisers.