Exergetic and economic optimization of a solar-based cogeneration system applicable for desalination and power production

Journal of Thermal Analysis and Calorimetry - The selective drug delivery system could be an excellent alternative to fight cancer and pathogens, due to its minimized negative consequences....     

Hysteresis of two interacting magnetic pairs with inequivalent perpendicular anisotropy

We consider a model for magnetic memory that consists of strongly coupled dipolar or antiferromagnetic (AF) pairs with inequivalent perpendicular anisotropy _K1$K_1$ and _K2$K_2$. For appropriate parameter values, determined in this work, they have two inequivalent storage states with zero net magnetic moment. Both analytical and numerical calculations are performed, in some cases yielding different results because of relaxation effects (i.e., a dependence on the damping parameter α$\alpha$). Hysteresis loops for a wide variety of parameter values are obtained, both for the AF case and the dipole case. An Appendix gives analytic results for slightly non-collinear spins in an applied field, which were used to test the numerical results.     

Convergent synthesis of carbonic anhydrase inhibiting bi-heterocyclic benzamides: Structure–activity relationship and mechanistic explorations through enzyme inhibition,kinetics, and computational studies

By using a convergent methodology, a novel series of N-arylated 4-yl-benzamides containing a bi-heterocyclic thiazole–triazole core was synthesized, and the structures of these hybrid molecules, 9a–k , were corroborated through spectral analyses. The in vitro studies of these multifunctional molecules demonstrated their potent carbonic anhydrase inhibition relative to the standard used. The kinetics mechanism was exposed by Lineweaver–Burk plots, which revealed that 9j inhibited carbonic anhydrase non-competitively by forming an enzyme-inhibitor complex. The inhibition constants K_i calculated from Dixon plots for this compound was 1.2 μM. The computational study was also persuasive with the experimental results, and these molecules disclosed good results of all scoring functions and interactions, which suggested a good binding to carbonic anhydrase. So, it was predicted from the inferred results that these molecules might be considered as promising medicinal scaffolds for various diseases related to the uncontrolled production of this enzyme.     

On independent sets in random graphs

The independence number of a sparse random graph G(n,m) of average degree d = 2m/n is well‐known to be with high probability, with in the limit of large d. Moreover, a trivial greedy algorithm w.h.p. finds an independent set of size , i.e., about half the maximum size. Yet in spite of 30 years of extensive research no efficient algorithm has emerged to produce an independent set with size for any fixed (independent of both d and n). In this paper we prove that the combinatorial structure of the independent set problem in random graphs undergoes a phase transition as the size k of the independent sets passes the point . Roughly speaking, we prove that independent sets of size form an intricately rugged landscape, in which local search algorithms seem to get stuck. We illustrate this phenomenon by providing an exponential lower bound for the Metropolis process, a Markov chain for sampling independent sets. © 2014 Wiley Periodicals, Inc. Random Struct. Alg., 47, 436–486, 2015     

Effect of 60Co γ-irradiation on structural and optical properties of thin films of Ga10Se80Hg10

Thin films of Ga₁₀Se₈₀Hg₁₀ have been deposited onto a chemically cleaned Al₂O₃ substrates by thermal evaporation technique under vacuum. The investigated thin films are irradiated by ⁶⁰Co γ-rays in the dose range of 50–150 kGy. X-ray diffraction patterns of the investigated thin films confirm the preferred crystallite growth occurs in the tetragonal phase structure. It also shows, the average crystallite size increases after γ-exposure, which indicates the crystallinity of the material increases after γ-irradiation. These results were further supported by surface morphological analysis carried out by scanning electron microscope and atomic force microscope which also shows the crystallinity of the material increases with increasing the γ-irradiation dose. The optical transmission spectra of the thin films at normal incidence were investigated in the spectral range from 190 to 1100 nm. Using the transmission spectra, the optical constants like refractive index (n) and extinction coefficient (k) were calculated based on Swanepoel’s method. The optical band gap (E_g) was also estimated using Tauc’s extrapolation procedure. The optical analysis shows: the value of optical band gap of investigated thin films decreases and the corresponding absorption coefficient increases continuously with increasing dose of γ-irradiation.     

Comparison and Evaluation of Three Diagnostic Methods for Detection of Beet Curly Top Virus in Sugar Beet Using Different Visualizing Systems

To diminish the time required for some diagnostic assays including polymerase chain reaction (PCR), loop-mediated isothermal amplification (LAMP; due to mainly DNA extraction step) and also triple antibody sandwich enzyme-linked immunosorbent assay (TAS-ELISA) into a minimum level, an innovative immunocapture LAMP (IC-LAMP) and immunocapture PCR (IC-PCR) protocol on the basis of beet curly top virus (BCTV) genome was used and optimized. TAS-ELISA was employed first to validate the existence of the virus. All six IC-LAMP primers (i.e. forward outer primer (F3), backward outer primer (B3), forward inner primer (FIP), backward inner primer (BIP), loop forward (LF) and loop backward (LB)) together with IC-PCR primers were designed on the basis of the replication-associated protein (rep) gene (GenBank accession AF379637.1) of BCTV genome. Also, a novel colorimetric IC-LAMP assay for rapid and easy detection of BCTV was developed here, its potential compared with TAS-ELISA and IC-PCR assays. The method, on the whole, had the following advantages over the two mentioned procedures: (i) fascinatingly, no need of DNA extraction; (ii) no requirement of expensive and sophisticated tools for amplification and detection; (iii) no post-amplification treatment of the amplicons and (iv) a flexible and easy detection approach, which is visually detected by naked eyes using diverse visual dyes.     

Metal–Organic Framework-Derived Carbon Nanorods Encapsulating Bismuth Oxides for Rapid and Selective CO2 Electroreduction to Formate

Carbon dioxide (CO₂) conversion is promising in alleviating the excessive CO₂ level and simultaneously producing valuables. This work reports the preparation of carbon nanorods encapsulated bismuth oxides for the efficient CO₂ electroconversion toward formate production. This resultant catalyst exhibits a small onset potential of −0.28 V vs. RHE and partial current density of over 200 mA cm⁻² with a stable and high Faradaic efficiency of 93 % for formate generation in a flow cell configuration. Electrochemical results demonstrate the synergistic effect in the Bi₂O₃@C promotes the rapid and selective CO₂ reduction in which the Bi₂O₃ is beneficial for improving the reaction kinetics and formate selectivity, while the carbon matrix would be helpful for enhancing the activity and current density of formate production. This work provides effective bismuth-based MOF derivatives for efficient formate production and offers insights in promoting practical CO₂ conversion technology.     

First-principle investigation of XSrH3 (X = K and Rb) perovskite-type hydrides for hydrogen storage

Hydrogen can be utilized as an energy source; therefore, hydrogen storage has received the most appealing examination interest in recent years. The investigations of hydrogen storage applications center fundamentally around the examination of hydrogen capacity abilities of recently presented compounds. XSrH₃ (X = K and Rb) compounds have been examined by density functional theory (DFT) calculations to uncover their different characteristics, as well as hydrogen capacity properties, for the first time. Studied compounds are optimized in the cubic phase, and optimized lattice constants are obtained as 4.77 and 4.99 Å for KSrH₃ and RbSrH₃, respectively. These hydrides have shown negative values of formation enthalpies as they are stable thermodynamically. XSrH₃ might be used in hydrogen storage applications because of high gravimetric hydrogen storage densities, which are 2.33 and 1.71 wt% for KSrH₃ and RbSrH₃, respectively. Moreover, electronic properties confirm the semiconductor nature of these compounds having indirect band gaps of values 1.41 and 1.23 eV for KSrH₃ and RbSrH₃, respectively. In addition, mechanical properties from elastic constants such as Young modulus and Pugh's ratio, also have been investigated, and these compounds were found to satisfy born stability conditions. Furthermore, Pugh's ratio and Cauchy pressure show that these hydrides have a brittle nature. Furthermore, thermodynamic properties such as entropy and Debye temperature have been examined using the quasiharmonic Debye model for different temperatures and pressures.     

Magnetoelectronic properties of ferromagnetic compounds Rb2TaZ6 (Z = Cl,Br) for possible spintronic applications

Highly spin-polarized ferromagnetic materials are essential for efficient spintronic devices. Here, 100% spin-polarized compounds Rb₂TaZ₆ (Z = Cl, Br) studied via density functional theory are reported. These compounds show stability in the ferromagnetic phase with cubic symmetry and half metallic behavior, thereby exhibiting a nonzero direct band gap in the spin-down channel and zero band gap in the spin-up configuration. The Ta-d sates contribute mainly to the net magnetic moments as explained by the crystal field theory and density of states. High Curie temperatures of 960.35 and 1021.74 K for Ra₂TaCl₆ and Rb₂TaBr₆, along with maximum spin polarizability, make these compounds favorable for efficient spintronic applications.     

Catalytic activity of Mn(III) and Co(III) complexes: evaluation of catechol oxidase enzymatic and photodegradation properties

We have synthesized two mononuclear complexes, Mn-hq and Co-hq, to serve as sustainable catalysts (for degrading dyes from organic pollutant) and as biocatalysts (for promoting oxidation of catechol to quinone). The two complexes have been characterized by various spectroscopic tools, and with the assistance of single-crystal X-ray diffraction data, their molecular structures were established. The present complexes were exploited for the catalytic activity, i.e., enzymatic activity and photocatalytic property. In methanolic solution, Mn-hq and Co-hq were examined for catecholase-like activity and Mn-hq particularly catalyzes the oxidation of 3,5-di-tert-butyl catechol to analogous quinone with a K_cat value of 835.2 h^?1. Additionally, Mn-hq and Co-hq demonstrated remarkable photocatalytic activity for the degradation of methylene blue (MB) in the aqueous medium beneath visible light. Co-hq shows excellent stability and recyclability toward MB. Further, trapping experiment along with degradation pathways is also explored. Thus, the present research throws light on the excellent catalytic properties of simply designed complexes and this activity can be tuned for desired efficiencies in future prospects.