Nonlinear response properties of atomic hydrogen under quantum plasma environment: A time-dependent variation perturbation study on hyperpolarizability and two-photon excitations

Pilot calculations on the frequency-dependent nonlinear response property, viz. the electric dipole hyperpolarizability of atomic hydrogen under quantum plasma environment, have been performed using an external oscillatory electric field. Fourth-order perturbation theory within a variational scheme is adopted to obtain the hyperpolarizability within and beyond normal dispersion region. Two-photon absorption from the ground state is explicitly obtained from the pole positions of nonlinear response of the system and studied up to principal quantum number n = 4 . Ground and perturbed wave functions of appropriate symmetries are represented by linear combination of Slater-type orbitals. Exponential cosine-screened Coulomb potential is used to simulate the quantum plasma environment. With respect to plasma strength, the nonlinear response properties are considerably enhanced. Results are compared with those under classical plasma environment represented by screened Coulomb potential. Departure from Coulomb potential results in lifting of the accidental degeneracy in the respective two-photon excited states beyond n = 2 . For free hydrogen atom, the transition energies and the radial density profiles of the respective two-photon excited states match exactly with those obtained from analytical wave functions.     

Spin–lattice relaxation phenomena in the magnetic state of a suggested Weyl semimetal CeAlGe

ABSTRACT

In this work, we report the results of DC susceptibility, AC susceptibility and related technique, resistivity, transverse and longitudinal magnetoresistance and heat capacity on polycrystalline magnetic semimetal CeAlGe. This compound undergoes antiferromagnetic type ordering around 5.2 K (T¹). Under the application of external magnetic fields, parallel alignment of magnetic moments is favoured above 0.5?T. At low field and temperature, frequency and AC field amplitude response of AC susceptibility indicate the presence of spin–lattice relaxation phenomena. The observation of spin–lattice interaction suggests the presence of the Rashba–Dresselhaus spin–orbit interaction which is associated with inversion and time-reversal symmetry breaking. Additionally, the presence of negative and asymmetric longitudinal magnetoresistance indicates anomalous velocity contribution to the magnetoresistance due to the Rashba–Dresselhaus spin–orbit interaction which is further studied by heat capacity.     

Photoconductive properties of some chemically deposited (Cd–Pb)s films

Films of (Cd–Pb)S have been prepared using chemical deposition in aqueous alkaline bath and their subsequent condensation on substrates. Important achievements in terms of electrical response, optical absorption and photoconductivity (PC) excitation spectra, SEM, XRD and photoluminescence (PL) studies are presented and discussed. From the photocurrent curves, the ratio I_PC (saturated photocurrent)/I_DC (dark current) was observed to be of the order of 10⁶ for the systems prepared with CdCl₂, and to be 10⁷ when doped with samarium nitrate. Values of trap depth E, lifetime and mobility are evaluated from the PC decay. Band-gaps are determined from the two spectra. Diffraction lines in XRD studies are associated to CdS and PbS, and according to SEM studies layered growth of the films takes place. PL of samarium doped (Cd–Pb)S films shows an emission peak in the green-yellow region under 365?nm excitation. The PL brightness decreases with temperature.     

Global dynamics of a Holling Type-III two prey–one predator discrete model with optimal harvest strategy

Nonlinear Dynamics - This paper deals with a discrete-time two prey–one predator system with Holling Type-III functional response, along with inter-specific competition between the prey and...     

Kinetic study of CO2 absorption in aqueous solutions of 2-((2-aminoethyl)amino)-ethanol using a stirred cell reaction calorimeter

In the literature, aqueous 2-((2-aminoethyl)amino) ethanol (AEEA) is identified as a promising solvent for postcombustion CO₂ capture. In this work, the kinetics of CO₂ absorption in the aqueous AEEA, containing a primary and a secondary amino group, is studied over a wide temperature range of 303.15-343.15 K and the amine concentration in the range of 0.47-2.89 M using the fall-in-pressure technique in a stirred cell reaction calorimeter setup with a horizontal gas-liquid interface. The overall rate constants for (AEEA + H₂O + CO₂) reaction system are estimated in the pseudo–first-order reaction regime. The kinetic models based on zwitterion and the termolecular reaction mechanisms are used to predict kinetic rate constants. The experimental kinetic data are better correlated using the zwitterion mechanism (AAD 9.18%) than that of the termolecular mechanism (AAD 10.4%). The density, viscosity, and physical solubility of pure components and aqueous binary mixtures of AEEA are also measured at the similar temperature and concentration ranges of rate kinetics. Empirical models are proposed to predict pure component density and viscosity data with AAD of 0.02% and 7.17%, respectively. The Redlich-Kister model, the Grunberg-Nissan model, and the O'Connell's model are used to correlate experimental density, viscosity, and physical solubility data of the binary mixtures with AAD of 0.034%, 4.92%, and 6.5%, respectively. The reaction activation energy (E_a ∼ 32 kJ/mol) of the (AEEA + H₂O + CO₂) system is calculated from the Arrhenius power-law model using the zwitterion mechanism, which indicates lower energy barrier than that of the reported value for monoethanolamine (∼44 kJ/mol) in the literature.     

Solvation effect on the vertical ionization energy of adenine-thymine base pair: From microhydration to bulk

In the present work, we investigate the effect of aqueous environment on the vertical ionization potential (VIP) of adenine-thymine (AT) base pair using a multilayer equation of the motion-coupled cluster method. The microsolvation can cause both blue-shift and red-shit of the IP values. However, the bulk water environment always results in the red-shift of the vertical ionization potential. Our study shows that the correct treatment of the short-range interaction plays an essential role in determining the magnitude of the red-shift. We have developed a biased sampling scheme based on Koopmans' energy, which can significantly speed up the convergence with respect to the number of solvent-solute configurations.     

Modulation of Kinetic Pathways of Enzyme–Substrate Interaction in a Microfluidic Channel: Nanoscopic Water Dynamics as a Switch

Enzyme-mediated catalysis is attributed to enzyme–substrate interactions, with models such as “induced fit” and “conformational selection” emphasizing the role of protein conformational transitions. The dynamic nature of the protein structure, thus, plays a crucial role in molecular recognition and substrate binding. As large-scale protein motions are coupled to water motions, hydration dynamics play a key role in protein dynamics, and hence, in enzyme catalysis. Here, microfluidic techniques and time-dependent fluorescence Stokes shift (TDFSS) measurements are employed to elucidate the role of nanoscopic water dynamics in the interaction of an enzyme, α-Chymotrypsin (CHT), with a substrate, Ala-Ala-Phe-7-amido-4-methylcoumarin (AMC) in the cationic reverse micelles of benzylhexadecyldimethylammonium chloride (BHDC/benzene) and anionic reverse micelles of sodium bis(2-ethylhexyl)sulfosuccinate (AOT/benzene). The kinetic pathways unraveled from the microfluidic setup are consistent with the “conformational selection” fit for the interaction of CHT with AMC in the cationic reverse micelles, whereas an “induced fit” mechanism is indicated for the anionic reverse micelles. In the cationic reverse micelles of BHDC, faster hydration dynamics (≈550 ps) aid the pathway of “conformational selection”, whereas in the anionic reverse micelles of AOT, the significantly slower dynamics of hydration (≈1600 ps) facilitate an “induced fit” mechanism for the formation of the final enzyme–substrate complex. The role of water dynamics in dictating the mechanism of enzyme–substrate interaction becomes further manifest in the neutral reverse micelles of Brij-30 and Triton X-100. In the former, the faster water dynamics aid the “conformational selection” pathway, whereas the significantly slower dynamics of water molecules in the latter are conducive to the “induced fit” mechanism in the enzyme–substrate interaction. Thus, nanoscopic water dynamics act as a switch in modulating the pathway of recognition of an enzyme (CHT) by the substrate (AMC) in reverse micelles.     

LC–QTOF–MS-based metabolite profiling and evaluation of α-glucosidase inhibitory kinetics of Coccinia grandis fruit

Coccinia grandis is an important food crop of the Cucurbitaceae family, widely used for culinary purposes in India. It is reported to possess hypoglycemic, hypolipidemic and antioxidant activities. The current study was aimed to explore the inhibition kinetics as well as major constituents of the active fraction of C. grandis against α-glucosidase. The kinetic study was performed through spectrophotometric assay, with p-nitrophenyl-α-d -glucopyranoside as a substrate with varying concentrations. An in vitro antioxidant study was performed by DPPH assay. In addition, UPLC–QTOF–MS analysis was carried out for metabolite profiling of the bioactive fraction of C. grandis. The results showed that the difference between the α-glucosidase inhibitory activity of the ethyl acetate fraction of C. grandis (EFCG) (IC₅₀ 2.43 ± 0.27 mg/ml), and standard inhibitor, acarbose (2.08 ± 0.19 mg/ml), was not statistically significant at a P-value of 0.05. The enzyme kinetics confirmed the inhibition mode in a mixed manner. The EFCG also showed the highest antioxidant activity (101.74 ± 1.95 μg/ml) among all of the fractions. A significant correlation between antioxidant and α-glucosidase inhibitory activity of EFCG was observed. The LC–QTOF–MS study of the EFCG putatively identified 35 metabolites, which may be responsible for its antioxidant and α-glucosidase inhibitory properties. Thus, C. grandis fruits can serve as a functional food to address diabetes-related disorders associated with α-glucosidase.     

Remodeling of the Fibrillation Pathway of α-Synuclein by Interaction with Antimicrobial Peptide LL-III

Liquid-liquid phase separation (LLPS) has emerged as a key mechanism for intracellular organization, and many recent studies have provided important insights into the role of LLPS in cell biology. There is also evidence that LLPS is associated with a variety of medical conditions, including neurodegenerative disorders. Pathological aggregation of α-synuclein, which is causally linked to Parkinson's disease, can proceed via droplet condensation, which then gradually transitions to the amyloid state. We show that the antimicrobial peptide LL-III is able to interact with both monomers and condensates of α-synuclein, leading to stabilization of the droplet and preventing conversion to the fibrillar state. The anti-aggregation activity of LL-III was also confirmed in a cellular model. We anticipate that studying the interaction of antimicrobial-type peptides with liquid condensates such as α-synuclein will contribute to the understanding of disease mechanisms (that arise in such condensates) and may also open up exciting new avenues for intervention.     

Optimisation of laboratory arsenic analysis for groundwaters of West Bengal,India and possible water testing strategy

Regular monitoring of arsenic (As) in groundwater is crucial from public health perspectives as millions of people are suffering due to use of contaminated aquifer water for drinking purposes. The routine analyses, especially in developing nations, are mostly done in localised government/non-government laboratories with limited resources, having the target of analysing large number of samples in each run. Thus apart from analytical sensitivity, cost-effectiveness of the method and eco-friendliness of the experimental operation are key surreptitious factors. This demands optimisation of total As measurement methods and finding a method that gives ‘optimum benefit’ considering all these factors together. The present study therefore evaluates four common As (total) measurement methods [iodometric-colorimetric method, silver diethyl dithiocarbamate method, molybdenum blue method and hydride generation atomic absorption spectrophotometric (HG-AAS) method] practised in the Bengal Delta Plain, in view of their analytical sensitivity, related environmental hazard and experimental costs. It was found that the HG-AAS method is analytically more sensitive, whereas the iodometric-colorimetric method and the molybdenum blue method are better choices in terms of eco-friendliness and cost-effectiveness, respectively. However, when all three factors (analytical reliability, environmental hazard and cost) are considered simultaneously, the molybdenum blue method was found to be placed first in the ‘optimum performance rank’ list. It was also found that both environmental hazard and cost play a more crucial role than analytical reliability, although this is case specific and would differ from place to place around the globe. Finally based on the results, we have hypothesised a water testing strategy for developing countries such as India where the molybdenum blue method can be adapted as a screening method and later the HG-AAS method can be used to precisely identify the groundwater samples with As concentration below the WHO drinking water guideline value of 10 μg/L.