Non‐fragile reliable control synthesis of the sugarcane borer

This study considers the problem of non‐fragile reliable control synthesis for mathematical model of interaction between the sugarcane borer (Diatraea saccharalis) and its egg parasitoid Trichogramma galloi. In particular, the control could be substituted by periodic releases of a small population of natural enemies and hence it is important to propose the time‐varying controller in sugarcane borer. The main aim of this study is to design a state feedback non‐fragile (time‐varying) reliable controller such that the states of the sugarcane borer system reach the equilibrium point within the desired period. A novel approach is proposed to deal with the uncertain matrices which appear in non‐fragile reliable control. Finally, simulations based on sugarcane borer systems are conducted to illustrate the advantages and effectiveness of the proposed design technique. The result reveals that the proposed non‐fragile control provides good performance in spite of periodic releases of a small population of natural enemies occurs.Inspec keywords: microorganisms, plant diseases, biology computing, state feedback, biocontrol, control system synthesisOther keywords: nonfragile reliable control synthesis, sugarcane borer, mathematical model, Diatraea saccharalis, egg parasitoid, Trichogramma galloi, periodic releases, natural enemies, state feedback nonfragile time‐varying reliable controller, equilibrium point, design technique     

Synthetic and Biological Studies of Sesquiterpene Polygodial: Activity of 9‐Epipolygodial against Drug‐Resistant Cancer Cells

Polygodial, a terpenoid dialdehyde isolated from Polygonum hydropiper L., is a known agonist of the transient receptor potential vanilloid 1 (TRPV1). In this investigation a series of polygodial analogues were prepared and investigated for TRPV1‐agonist and anticancer activities. These experiments led to the identification of 9‐epipolygodial, which has antiproliferative potency significantly exceeding that of polygodial. 9‐Epipolygodial was found to maintain potency against apoptosis‐resistant cancer cells as well as those displaying the multidrug‐resistant (MDR) phenotype. In addition, the chemical feasibility for the previously proposed mechanism of action of polygodial, involving the formation of a Paal–Knorr pyrrole with a lysine residue on the target protein, was demonstrated by the synthesis of a stable polygodial pyrrole derivative. These studies reveal rich chemical and biological properties associated with polygodial and its direct derivatives. These compounds should inspire further work in this area aimed at the development of new pharmacological agents, or the exploration of novel mechanisms of covalent modification of biological molecules with natural products.     

Boron‐ and nitrogen‐doped penta‐graphene as a promising material for hydrogen storage: A computational study

We fulfill a comprehensive study based on density functional theory (DFT) computations to cast insight into the dissociation mechanism of hydrogen molecule on pristine, B‐, and N‐doped penta‐graphene. The doping effect has been also illustrated by varying the concentration of dopant from 4.2 at% (one doping atom in 24 host atoms) to 8.3 at% (two doping atoms in 24 host atoms) and by contemplating different doping sites. Our theoretical investigation shows that the adsorption energy of H₂ molecule and H atom on the substrate can be substantially enhanced by incorporating boron or nitrogen into penta‐graphene sheet. The B‐ and N‐doped penta‐graphene can effectively decompose H₂ molecule into two H atoms. Our results demonstrate that activation energies for H₂ dissociation and H diffusion on the B‐ and N‐doped penta‐graphene are much smaller than the pristine penta‐graphene. Further investigation of increasing concentration dopants of the penta‐graphene sheet gives sufficiently low activation barrier for H₂ dissociation process. This investigation reveals that the boron and nitrogen dopants can act as effective active site for H₂ dissociation and storage.     

Screening of β1- and β2-Adrenergic Receptor Modulators through Advanced Pharmacoinformatics and Machine Learning Approaches

Cardiovascular diseases (CDs) are a major concern in the human race and one of the leading causes of death worldwide. β-Adrenergic receptors (β1-AR and β2-AR) play a crucial role in the overall regulation of cardiac function. In the present study, structure-based virtual screening, machine learning (ML), and a ligand-based similarity search were conducted for the PubChem database against both β1- and β2-AR. Initially, all docked molecules were screened using the threshold binding energy value. Molecules with a better binding affinity were further used for segregation as active and inactive through ML. The pharmacokinetic assessment was carried out on molecules retained in the above step. Further, similarity searching of the ChEMBL and DrugBank databases was performed. From detailed analysis of the above data, four compounds for each of β1- and β2-AR were found to be promising in nature. A number of critical ligand-binding amino acids formed potential hydrogen bonds and hydrophobic interactions. Finally, a molecular dynamics (MD) simulation study of each molecule bound with the respective target was performed. A number of parameters obtained from the MD simulation trajectories were calculated and substantiated the stability between the protein-ligand complex. Hence, it can be postulated that the final molecules might be crucial for CDs subjected to experimental validation.     

Lithium ion conduction in Li5La3Ta2O12 and Li7La3Ta2O13 garnet-type materials

Electrical properties of the lithium garnets Li₅La₃Ta₂O₁₂ (L5LTO) and Li₇La₃Ta₂O₁₃ (L7LTO) are reported over a wide frequency range from 10 MHz to 0.1 Hz at different temperatures. The structural properties are characterized by powder X-ray diffraction, Scanning electron microscopy with energy dispersive X-ray spectroscopy and Fourier transformation Infrared spectroscopy. By means of the frame work of classical brick layer model (BLM) and of a finite element approach, the ion transport properties of grain and grain boundary for the lithium garnets were analyzed. The specific grain conductivity of 5.0?×?10^?6?S/cm at 40 °C is found for both lithium garnets. Specific grain conductivities and grain boundary conductivities are thermally activated, with activation energies found to be in the range of 0.55–0.61 eV. The total conductivity is found to be depending on the ion conduction of grain boundary. The information on the fraction of contact area α_contact between grains <0.25 is obtained by the finite element approach for Li₇La₃Ta₂O₁₃.     

HPA immobilized on the functionalized Ti-MCM-41 nanochannels for photocatalytic degradation of ternary azo dye effluents

Solid-state heteropolytungstic acid (HPA) clusters were covalently linked into amino and mercapto functionalized Ti-MCM-41 nanoporous channel by in situ synthesis processes to effectively use as a recyclable photocatalyst for degradation of ternary azo dyes consisting of methyl orange (MeOr), acid orange 10 (AO-10) and acid red 88 (AR88) before and after dying processes. The structure and morphology of as synthesized nanoporous hybrid catalyst (HPA immobilized mercapto and amino functionalized Ti-MCM41) was characterized by means of Fourier transform infrared analysis (FT-IR), Phosphorus-31 Nuclear Magnetic Resonance (³¹P-NMR) analysis, X-ray diffraction (XRD) analysis, N₂ adsorption studies, diffused reflectance studies (DRS) and transmission electron microscope (TEM) measurements. The immobilization of HPA on functionalized Ti-MCM-41 acts as coupled semiconductor with higher specific area and superior active sites for photocatalytic degradation of ternary azo dyes. The hybrid catalyst was found to be very stable and did not lose it activity even after performing three consecutive irradiation experiments with azo dye mixtures; hence it may be reusable for further degradation of dye mixtures.     

Phase pure rhombohedral R3¯m$R\bar{3}m$ AgCoO2 delafossite: Rietveld,selected area electron diffraction,X-ray photoemission spectroscopy,and magnetic studies

A p-type rhombohedral AgCoO₂ (S.G. $R\overline{3}m$) reported to form only at pressures greater than 300 MPa at 773 K, is stabilized in pure phase at 0.2 MPa oxygen pressure. Analysis of powder X-ray diffraction pattern by Rietveld and selected area electron diffraction patterns confirms the purity of rhombohedral phase. Core-shell X-ray photoemission spectroscopy studies show that Ag ions are in +1 oxidation state with Co ions largely in +3 state. AgCoO₂ is paramagnetic undergoing super-paramagnetic transition at 44 K. The magnetic moment of Co is 0.001 μB which corresponds to low spin (LS) Co³⁺ along with a small fraction of LS Co⁴⁺ ions.     

Biochemical characteristics of tea fungus produced during kombucha fermentation

Tea fungus is symbiotic culture of acetic acid bacteria and yeasts, widely used to produce kombucha tea. Due to the rich biomass in tea fungus, it can be utilized as protein supplement in animal feed. The present study aimed to analyze the biochemical characteristics of tea fungus with the effect of fermentation time. Proximate, amino acids, and elemental analysis of tea fungus produced during kombucha fermentation were studied along with total count of microflora. Results suggested that tea fungus is rich in crude protein, crude fibre, and amino acid lysine. The biochemical characteristics of tea fungus studied were increased throughout the fermentation time.     

Bismuth effect in the structural, magnetic and dielectric properties of CoZn ferrite

Nano particles of Co_0.5Zn_0.5Bi_xFe_(2−x)O₄, with x varying from 0.0 to 0.3 in steps of 0.1 were synthesized using the chemical co-precipitation method. The powder X-Ray diffraction pattern confirms the formation of spinel phase for all prepared samples. The lattice parameters are calculated by powder X-Ray diffraction, and it is observed that the values of the lattice parameter are less than those of bulk materials. The saturation magnetization is found to decrease with the increase of concentration of Bi ion up to x = 0.2 and then increases for x = 0.3. The hysteresis loop for concentration x = 0.0, 0.1 and 0.3 shows almost zero coercivity and remanance at 300 K, implying that the samples behave as superparamagnetic at this temperature; whereas for the concentration at x = 0.2 the coercivity was found to be 32 Oe at 300 K. The dielectric measurements were carried out in the Co_0.5Zn_0.5Bi_xFe_(2−x)O₄ system over the temperature range from 300 to 700 K as a function of frequency, from 5 to 5 MHz. The variation of dielectric constant and dielectric loss factor for the prepared samples are explained on the basis of Maxwell–Wagner interfacial polarization.