Phyto-assisted synthesis of CuO/industrial waste derived biochar composite for adsorptive removal of doxycycline hydrochloride and recycling of spent biochar as green energy storage device.

The highest exposure of Endocrine disrupting compounds (EDC) into the water bodies as a result of extensive production and application of Covid-19 related drugs is a growing concern now a days. Herein, a novel nanocomposite material was developed by impregnating green synthesized copper oxide nanoparticles on the porous surface of fabric waste derived biochar to eliminate the concerned EDCs along with a sustainable disposal strategy for the spent adsorbent. Morphological characterizations by Field emission scanning electron microscopy confirmed the formation of hierarchical porous structured material. X-ray analysis revealed presence of both amorphous nature of biochar matrix as well as the crystalline nature attributed from monodispersion of copper oxide nanoparticles onto biochar surface. Batch sorption study showed removal of doxycycline hydrochloride (DOX) of >97% after 2 h at pH 7, 30 mg L-1 initial concentration of DOX and 2 g L-1 of adsorbent dose at room temperature after a two-step optimization process. Spectroscopic study and Raman shift suggested that pore filling, strong complexation and electrostatic interactions maximise the adsorption of DOX in the CuO/biochar composite as compared to the pristine biochar. However disposal of spent adsorbent is a crucial aspect for the environment and therefore, a sustainable recycling strategy for DOX loaded adsorbent as electrode material has been proposed for the first time in this study. Maximum specific capacitance value was observed in the range of 221.9-297.3 F g-1 for the DOX loaded nanocomposite at 1 mV s-1 comparable with other reported heteroatom-doped carbonaceous material as electrode. Therefore the excellent adsorption capacity of green synthesized CuO/biochar composite and its recycling after DOX adsorption can be recommended as a sustainable solution for mitigation of pharmaceuticals from wastewater. A detail study on degradation of DOX into eco-friendly products and its cost-effectiveness would be beneficial to suggest appropriate mitigation strategy for such compounds.

Tunnelling Dynamics of Kicked Systems: A Route to Tunnelling Control.

The effects of discontinuously time-varying perturbations on the dynamics of a particle moving in harmonic, symmetric double well and symmetric triple well potentials, are investigated both classically and quantum mechanically. The quantum dynamics is followed using the time-dependent Fourier grid Hamiltonian (TDFGH) method while the classical dynamics is analyzed within the framework of classical Hamiltonian mechanics. Depending on the spatial symmetry of the perturbation and the characteristic features of the reversal time τ r ${\left( {\tau _r } \right)}$ , different types of 'phase space' structures are observed in each of the potentials. For symmetric double and triple well potentials, quantum dynamics reveals that complete destruction of tunnelling (CDT) can be achieved in the presence of a time-dependent spatially asymmetric perturbing field that is continuous in time. Any discontinuity in time-variation of the perturbation may induce over the barrier transition. The relevance of these results in the context of (i) tunnelling control and (ii) quantum computing with 3-state or 2-state quantum registers is briefly discussed.

Sustainable conversion of textile industry cotton waste into P-dopped biochar for removal of dyes from textile effluent and valorisation of spent biochar into soil conditioner towards circular economy.

Effective immobilization of industrial waste into biochar development could be one of the most promising technologies for solid waste management to achieve circular economy. In this study, post-industrial cotton textile waste (PICTW), a cellulose rich industrial waste, was subjected to slow pyrolysis to develop a surface engineered biochar through phosphoric acid impregnation. Biochar produced at 500 °C designated as PICTWB500 showed a maximum methylene blue number (240 mg g-1) with remarkable specific surface area of 1498 m2 g-1. FESEM, FTIR, XRD and Raman spectra analysis were performed to investigate the surface texture and functionalities developed in the biochar. Adsorption efficiency of the biochar was assessed using drimarene red, blue, violet, and black dyes as model dye pollutants in batch mode at different biochar dose, pH and contact time. The maximum monolayer adsorption capacity was obtained in the range 285-325 mg g-1 for different dyes, determined from Langmuir adsorption model. The kinetic behaviour was more favourable with the pseudo second-order model. The recycling ability of PICTWB500 was proven to be effective up to 6th cycle without compromising its adsorption efficiency significantly. This study demonstrated an excellent adsorption capability of the biochar in dye laden real textile effluent and recycling of spent biochar as a precursor of bio compost. Hence, this study established a dual win strategy for waste utilization in textile industry using a closed loop approach with substantial techno-economic feasibility that may have potential applications.

Controlling Tunneling Oscillation and Quantum Localization in an Asymmetric Double-Well Potential: A Bohmian Perspective.

The roles of spatial symmetry and strength of external time-dependent perturbation on the dynamics of a quantum particle, initially localized in one of the wells of an asymmetric double-well potential are studied using the recently developed techniques incorporating quantum theory of motion and time-dependent Fourier grid Hamiltonian methods. The model used here includes a mimic of the related experimental situations which is considered as a perturbation to the static double-well potential. Analysis of localized and delocalized phase space structures and corresponding time-profile of tunneling probability reveal the recipe toward controlling the tunneling oscillations by modulating the parameters of applied perturbation. A study on a stochastic pulsating potential also reveals the root to the quantum localization, even in moderate field strength.

Performance assessment of the indigenous ceramic UF membrane in bioreactor process for highly polluted tannery wastewater treatment.

The present study evaluates the performance of an indigenously developed ceramic ultrafiltration (UF) membrane in a lab-scale membrane bioreactor (MBR) process to treat real tannery effluent with varying organic loading (1500-6000 mg/L). UF membrane was prepared by the coating of bentonite clay on tubular clay-alumina macroporous support. The membrane surface was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray diffraction, X-ray photoelectron spectroscopy, BET adsorption-desorption, contact angle measurement, and atomic force microscopy. In the side-stream MBR process, sewage sludge from a local sewage treatment plant was used as an activated sludge source with a constant sludge retention time of 30 days. Membrane filtration was performed in cross-flow mode using a single-channel membrane module. Artificial neural network (ANN) modeling tool was used to analyze the influence of various independent input variables, namely, the hydraulic retention time (4-10 h), mixed liquor suspended solid (MLSS) concentration (2-8 g/L), and influent COD concentration (1500-6000 mg/L) on COD removal (%) with feed-forward backpropagation method. Membrane study was done at a transmembrane pressure of 4.3 bar and feed flow rate of 7.5 L/min to observe the flux declination and fouling of the UF membrane with time. Average COD and BOD concentrations obtained in the treated effluent were 147.56 and 31 mg/L, respectively, and chromium concentration was < 0.1 mg/L; thus, treated effluent quality was found to be suitable for industrial recycling purposes apart from the safe environmental discharge. An in-depth study was undertaken to understand the removal mechanism in the MBR process, nature and extent of membrane fouling, changes in the morphology of the UF membrane, surface wettability, and surface topology by detailed surface characterization of the membrane pre- and post-filtration.

Psychological impact of school closure and social isolation on female students during Covid-19: A case study from Bangladesh.

This article describes the socio-psychological effects of school closure on school-going urban girls in Dhaka, Bangladesh, during the Covid-19 pandemic. It illustrates the life of urban students in Bangladesh during the school-closing time and relates it to their previous normal life. It asserts that the strengths of traditional schools have important relevance to socialization, which was significantly disturbed during the pandemic due to home confinement. Based on both qualitative and quantitative data, the following components led to an understanding of the schools' role in the socialization of urban female students in Bangladesh: emotional attachments, interpersonal interactions, and physical activity. During confinement, the absence of these components put the students' socialization process at risk, resulting in socio-psychological changes in activities and behavioral patterns. Finally, the article recommends not considering online classes as the "new normal"; working toward vaccination and obtaining suitable health equipment for the reopening of traditional schools will do more to ensure the socio-psychological health of future generations.

Ceramic membrane-based ultrafiltration combined with adsorption by waste derived biochar for textile effluent treatment and management of spent biochar.

PURPOSE: Effluents produced in the textile industries are important sources of water pollution due to the presence of toxic dyes, auxiliary chemicals, organic substances etc. Recycling of such industrial wastewater is one major aspect of sustainable water management; hence present study is focused on an eco-friendly process development for reclamation of higher loading textile wastewater. METHOD: Industrial effluent samples with varying loading were collected from textile processing units located in and around Kolkata city. Vegetable waste collected from local market was utilized to prepare an efficient biochar for elimination of the recalcitrant dyes. Prior to adsorption, ceramic ultrafiltration (UF) process was used for reduction of the organic loading and other suspended and dissolved components. RESULTS: A remarkably high BET surface area of 1216 m2g-1 and enhanced pore volume of 1.139 cm3g-1 was observed for biochar. The maximum adsorption capacity obtained from the Langmuir isotherm was about 300 mg.g-1. The combined process facilitated >99% removal of dyes and 77-80% removal of chemical oxygen demand (COD) from the various samples of effluent. The treated effluent was found suitable to discharge or reuse in other purposes. About 95% of dye recovery was achieved during biochar regeneration with acetone solution. The dye loaded spent biochar was composted with dry leaves and garden soil as bulking agent. Prepared compost could achieve the recommended parameters with high nutritional value after 45 days. CONCLUSIONS: The overall study showed potential of the proposed process towards treatment of toxic dye loaded textile effluent in an environment friendly and sustainable approach.

Opinions of the Urban Women on Pap test: Evidence from Bangladesh.

Each year, many countries from developed world publishes reports on early cancer detection; which is absolutely absent in most developing countries like Bangladesh.Very limited evidence is found on the role and acceptance of Pap test among the women of Bangladesh in determining cervical cancer. More research and updates are needed relating Pap test in early detection of cervical cancer. Thus the purpose of this study is set to assess the opinions of Bangladeshiurban womentowardsthe Pap test. A questionnaire-based survey of 400 Bangladeshi urban women was evaluated by on their socio-demographic characteristics, knowledgeand attitudes towards Pap testing. In general, the findings reveal that respondents havea good understanding of thepurpose of Pap test screening with 3.92 (Mean score). With 3.54 Mean score,the respondents believed that Pap tests are recommended to women who are married and with 3.45 mean score women believed that Pap tests arerecommended only to those who have children. Generally, respondents possess good knowledge of Pap test and its purpose. These findings can be used in identifying prospect cervical cancer screening significance populations and trend for future intrusion.

Noble gas encapsulated B40 cage.

The efficacy of B40 borospherene to act as a host for noble gas atoms is explored via density functional theory based computations. Although the Ng@B40 complexes are thermochemically unstable with respect to dissociation into free Ng and B40, it does not rule out their viability as all the systems possess a high activation free energy barrier (84.7-206.3 kcal mol-1). Therefore, once they are formed, it is hard to take out the Ng atom. Two Ng atoms can also be incorporated within B40 for the lighter Ng atoms (He and Ne). In fact, the destabilization offered by the encapsulation of one and two He atoms and one Ne atom inside B40 is significantly less than that in experimentally synthesized He@C20H20, highlighting their greater possibility for synthesis. Although Ar2 and Kr2 encapsulated B40 systems are very much destabilized by the repulsive interaction between Ng2 and B40, an inspection of the bonding situation reveals that the confinement can even induce some degree of covalent interaction between two otherwise non-bonded Ng atoms. Ng atoms transfer electrons towards B40 which is smaller for lighter Ng atoms and gradually increases along He to Rn. Even if the electrostatic interaction between Ng and B40 is the most predominant term in these systems, the extent of the orbital interaction is also considerable. However, the very large Pauli repulsion counterbalances the attractive interaction, eventually turning the interaction repulsive in nature. Ng@B40 also shows dynamical behaviour involving continuous exchange between hexagonal and heptagonal holes, similar to the host cage, as understood from the very little variation in the activation barrier because of the Ng encapsulation. Furthermore, sandwich complexes like [(η5-C5Me5)Fe(η6-B40)]+ and [(η5-C5Me5)Fe(η7-B40)]+ are noted to be viable with the latter being slightly more stable than the former. The encapsulation of Xe slightly improves the dissociation energy associated with the decomposition into Xe@B40 and [Fe(η5-C5Me5)]+ compared to that in the bare one.

Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M©B10- Clusters (M=Nb, Ta).

The viability of noble gas axled boron nanowheels Ngn M©B10- (Ng=Ar-Rn; M=Nb, Ta; n=1, 2) is explored by ab initio computations. In the resulting Ng2 -M complexes, the Ng-M-Ng nanorod passes through the center of the B10- ring, providing them with an inverse sandwich-like structure. While in the singly Ng bound analogue, the Ng binding enthalpy Hb at 298 K ranges from 2.5 to 10.6 kcal mol-1 , in doubly Ng bound cases it becomes very low for the Ng2 M©B10- →Ng+NgM©B10- dissociation channel, except for the case of Rn, for which the corresponding Hb values are 3.4 (Nb) and 4.0 kcal mol-1 (Ta). For a given Ng, Ta has slightly higher Ng-binding ability than Nb. The corresponding free-energy changes indicate that these systems, particularly the Xe and Rn complexes, are good candidates for experimental realization in a low-temperature matrix. The Ng-M bonds were found to be covalent in nature, as reflected in their large Wiberg bond indices, formation of a 2c-2e σ orbital between Ng and M centers in natural bond orbital and adaptive natural density partitioning (AdNDP) analyses, and the short Ng-M distances. Energy decomposition analysis and a study on the natural orbitals for chemical valence show that the Ng-M contact is supported mainly by the orbital and electrostatic interactions, with almost equal contributions. Although both the Ng→M σ donation and Ng←M π backdonation play roles in the origin of orbital interaction, the former is significantly dominant over the latter. Further, AdNDP analysis indicates that the doubly aromatic character (both σ and π) in MB10- clusters is not perturbed by the interaction with Ng atoms.

A Spinning Umbrella: Carbon Monoxide and Dinitrogen Bound MB12- Clusters (M = Co, Rh, Ir).

Strong binding of carbon monoxide (CO) and dinitrogen (N2) by MB12- (M = Co, Rh, Ir) clusters results in a spinning umbrella-like structure. For OCMB12- and NNMB12- complexes, the bond dissociation energy values range within 50.3-67.7 kcal/mol and 25.9-35.7 kcal/mol, respectively, with the maximum value obtained in Ir followed by that in Co and Rh analogues. COMB12- complex is significantly less stable than the corresponding C-side bonded isomer. The associated dissociation processes for OCMB12- and NNMB12- into CO or N2 and MB12- are highly endergonic in nature at 298 K, implying their high thermochemical stability with respect to dissociation. In OCMB12- and NNMB12- complexes, the C-O and N-N bonds are found to be elongated by 0.022-0.035 Å along with a large red-shift in the corresponding stretching frequencies, highlighting the occurrence of bond activation therein toward further reactivity due to complexation. The obtained red-shift is explained by the dominance of L←M π-back-donation (L = CO, OC, NN) over L→M σ-donation. The binding of L enhances the energy barrier for the rotation of the inner B3 unit within the outer B9 ring by 0.4-1.8 kcal/mol, which can be explained by a reduction in the distance of the longest bond between inner B3 and outer B9 rings upon complexation. A good correlation is found between the change in rotational barrier relative to that in MB12- and the energy associated with the L→M σ-donation. Born-Oppenheimer molecular dynamics simulations further support that the M-L bonds in the studied systems are kinetically stable enough to retain the original forms during the internal rotation of inner B3 unit.

Orbital free DFT versus single density equation: a perspective through quantum domain behavior of a classically chaotic system.

The orbital free density functional theory and the single density equation approach are formally equivalent. An orbital free density based quantum dynamical strategy is used to study the quantum-classical correspondence in both weakly and strongly coupled van der Pol and Duffing oscillators in the presence of an external electric field in one dimension. The resulting quantum hydrodynamic equations of motion are solved through an implicit Euler type real space method involving a moving weighted least square technique. The Lagrangian framework used here allows the numerical grid points to follow the wave packet trajectory. The associated classical equations of motion are solved using a sixth order Runge-Kutta method and the Ehrenfest dynamics is followed through the solution of the time dependent Schrodinger equation using a time dependent Fourier Grid Hamiltonian technique. Various diagnostics reveal a close parallelism between classical regular as well as chaotic dynamics and that obtained from the Bohmian mechanics.