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Heavy metal deposition in crops irrigated with wastewater is a serious environmental issue in many developing countries. This research looked at the probable health impacts of chromium (Cr) in water, soil, and food crop samples. The concentration of Cr was measured in samples taken from three sites: Sargodha City, Sahiwal, and Shahpur. Chromium levels were found to vary from 0.011 to 0.067 mg/L in water, to 0.223–2.49 in soil, and from 0.17 to 1.74 mg/kg in crops, respectively. Cr levels in the water, soil, and crops met World Health Organization requirements. Crop samples showed a positive correlation with soil chromium concentrations. There was a wide range in the bioconcentration factor (BCF), pollution load index (PLI), enrichment factor (EF), daily metal intake (DIM), health risk index (HRI), and target hazard quotient (THQ), which were all between 0.16 and 1.79. The BCF and EF were greater than one, which proves a high level of Cr mobility and metal enrichment. The PLI, DIM, HRI, and THQ of metal values were less than one, indicating that toxic metals were present in lower quantities in food crops and had no carcinogenic effects on consumers. Consistent monitoring of water quality, crops, soil, and better agricultural practices that inhibit metals from entering agricultural food reduce the potential health risks to consumers. • Different treatments of water. • Determination of chromium metal to check its level in water, soil and • To check chromium in food crops and anticipation its toxicity for public health. • To determine mobility and pollution indices. • Health risk evaluation of chromium for public in food crops. [ABSTRACT FROM AUTHOR]

[Display omitted] • Mn containing 2D coordination polymer [Mn 2 (ox)(sqr)(dmso) 2 ] n (Mn-CP) is synthesized. • Presence of non-innocent redox active ligands make Mn-CP as efficient OER electrocatalyst. • Mn-CP displays a current density (J) of 10 mA/cm2 at an overpotential (η) of 300 mV (vs. RHE). • Controlled potential electrolysis confirms that Mn-CP remains active over a 30000 s test reaction. The structural stability of coordination polymers is very important to act as efficient catalysts. A novel two dimensional manganese based coordination polymer [Mn 2 (ox)(sqr)(dmso) 2 ] n (Mn-CP) {ox = oxalate, sqr = squarate, dmso = dimethylsulfoxide} has been fabricated, keeping in consideration that the extensive delocalization of π-electron densities of both non-innocent redox active ligands will make a manganese an efficient oxygen-evolving centre by improving its poor intrinsic conductive nature. Mn-CP has displayed excellent OER performance at neutral pH, exhibiting a current density (J) of 10 mA/cm2 at an overpotential (η) of 300 mV (vs. RHE), with a Tafel slope (TS) of 82.4 mV/dec in PBS (pH = 7.4). The enhanced water oxidizing ability can be credited to the unique two-dimensional planer-conducting layers of oxalates and squarates with Mn2+ ions. FT-IR, PXRD and controlled potential electrolysis (CPE) investigate that Mn-CP stays functional and structurally intact for a period of 10 h. [ABSTRACT FROM AUTHOR]

In many countries, where wastewater irrigation has become a common practice, the accumulation of heavy metals by crops has been regarded as a severe environmental hazard. The evaluation of the toxic element lead (Pb) in water, agricultural soils and food crops, and their potential damage to human health, is the focus of the present study. Samples of eleven food crops, soil, with three treatments, waste, canal, and tube well waters, were collected from three feeding sites, Sargodha city, Sahiwal, Shahpur, and evaluated for Pb concentration. The results indicates that the range of Pb in the water, soil and crop samples were from 0.023 to 0.039 mg/L, 2.932–13.687 mg/kg and 1.241–4.825 mg/kg, respectively. The metal concentration was significantly higher (P < 0.001) in wastewater treated soil and crop samples that exceed the permissible limit of the World Health Organization (WHO). There is a positive correlation between the Pb concentration in the soil and crop samples. The pollution load index and enrichment factor are greater than 1, indicating a high level of soil contamination and the influence of natural and anthropogenic sources of Pb metal accumulation in soils. The bioconcentration factor (BCF), daily intake of metal (DIM), health risk index (HRI) and metal values are less than 1, indicating that toxic Pb are present in lower quantities in food crops and had no health risks to consumers. In wastewater treated soils, there is a significant accumulation of Pb toxicity. Therefore, it is vitally important to address Pb contamination and its potential entrance route into the human food chain. • This study collected 27 water and 99 soil and food crop samples from 3 sites in Sargodha. • The relationships of lead (Pb) contents in irrigated water soil and crops were explored. • The pollution load index and enrichment factor were greater than 1, indicating a high level of soil contamination. • Pb toxicity accumulated in wastewater treated soils. [ABSTRACT FROM AUTHOR]

Microporous carbon materials are obtained by carbonizing a mixture of Zn–BTC MOF [Zn 2 (BTC) 3 {BTC; 1, 3, 5-benzenetricarboxylic acid}] and polyfurfuryl alcohol (Zn–BTC MOF/PFA) at different carbonization temperatures. The obtained samples are characterized by PXRD, XPS, SEM, TEM, gas sorption and Raman spectroscopic analysis. The maximum BET surface area of 1455 m 2 g −1 is recorded for the porous carbon obtained at 950 °C. The incorporation of furfuryl alcohol in the 3D channels of Zn–BTC MOF results in creation of three distinct pore-regions; ultra-micropores (0.45–0.9 nm), micropores (0.9–2 nm) and mesopores (2–3.7 nm) exist with total pore volume of 2.03 cm 3 g −1 . The MPC-950 exhibits an enhanced specific capacitance of 471 F g −1 at 2 mV s −1 and 375 F g −1 at 0.75 A g −1 and retains ca. 96% of its initial capacitance over 3000 cycles. [ABSTRACT FROM AUTHOR]

The Ti/CeO 2 /Al/CeO 2 /Pt stacks as a ReRAM device exhibits bipolar and unipolar resistive switching behaviors. The OFF/ON resistance ratio (>10 2 ) in both modes is almost similar but operating voltages are slightly smaller in the former than in the later. These devices could switch between the two operating modes merely by choosing the polarity of RESET voltage. In addition, the requirement of identical current compliance during the SET process of both modes provides an additional advantage of simplicity in device operation. The conduction mechanisms of high resistance state and low resistance state are Schottky emission and Ohmic conduction. On the basis of analyses of current–voltage characteristics and temperature dependence of resistance, resistive switching mechanism originated from a combined effect of field induced diffusion of oxygen and Al ions in the sandwiched ceria matrix. [ABSTRACT FROM AUTHOR]

The excitation functions of 66,67,68 Ga, 62,63,65 Zn, 61,64 Cu, and 58,60 Co radionuclides in the nat Cu(α, x) reaction were measured in the energy range from 15 to 42 MeV by using a stacked-foil activation method at the MC-50 cyclotron of the Korean Institute of Radiological and Medical Sciences. The measured results were compared with the literature data as well as the theoretical values obtained from the TENDL-2013 and TENDL-2014 libraries based on the TALYS-1.6 code. The integral yields for thick targets of the produced radionuclides were also determined from the measured excitation functions and the stopping power of natural copper. [ABSTRACT FROM AUTHOR]

In vitro germination of hemp is challenging due to low germination and high contamination rates. Successful establishment of in vitro sterilization is the prerequisite of plant tissue culture studies. Recent advancements in the field of artificial neural network (ANN) and machine learning (ML) algorithms open new horizons for sustainable and precision agriculture. ANN and ML algorithms are powerful tools to evaluate the results and make more precise and high accuracy predictions in the field of plant tissue culture, especially for industrial purposes. Keeping in view, the study was designed to investigate the possible response of variable concentrations of hydrogen peroxide (H 2 O 2) on germination and morphological traits of in vitro -grown hemp seedlings by using ML algorithms. Five different ML algorithms used in this study to evaluate the prediction of the output variables were: Support Vector Classifier (SVC), Gaussian Process (GP), Extreme Gradient Boosting (XGBoost), Random Forest (RF) models, and Multilayer Perceptron (MLP) neural network utilizing accuracy, F1 score, precision, and recall values. Among the tested models, the RF model exhibited better prediction of output variables with a high F1 score in the range of 0.98–1.00. The F1 scores of the other models ranged between 0.69 and 0.86. Response surface methodology (RSM) used to compute the optimum concentration of H 2 O 2 revealed the statistically significant effect of H 2 O 2 on in vitro germination and seedling growth. The optimum value of H 2 O 2 for the maximum germination and seedling was optimized to about ~2.2% by using RSM. The present work is a case study about the application of different ML and ANN models in plant tissue culture and reveals the possibility of application in many other economic crops. An overview of ML and ANN algorithms for in vitro germination and growth indices of industrial hemp. [Display omitted] • Hydrogen per oxide concentration and exposure time enhanced hemp seed germination. • Five machine learning models were used for evaluating the results precisely. • Random forest algorithm depicted the highest performance to assess the results. • Response surface methodology predicted the optimum inputs and respective outputs. • In vitro germination may facilitate to isolate explants for in vitro regeneration. [ABSTRACT FROM AUTHOR]

Background: People with cocaine use disorder (CUD) often have abnormal cognitive function and brain structure. Cognition is supported by brain networks that typically have characteristics like rich-club organization, which is a group of regions that are highly connected across the brain and to each other, and small worldness, which is a balance between local and long-distance connections. However, it is unknown whether there are abnormalities in structural brain network connectivity of CUD.Methods: Using diffusion-weighted imaging, we measured structural connectivity in 37 people with CUD and 38 age-matched controls. We identified differences in rich-club organization and whether such differences related to small worldness and behavior. We also tested whether rich-club reorganization was associated with caudate and putamen structural connectivity due to the relevance of the dopamine system to cocaine use.Results: People with CUD had a higher normalized rich-club coefficient than controls, more edges connecting rich-club nodes to each other and to non-rich-club nodes, and fewer edges connecting non-rich-club nodes. Rich-club nodes were shifted posterior and lateral. Rich-club reorganization was related to lower clustered connectivity around individual nodes found in CUD, to increased impulsivity, and to a decrease in caudate connectivity.Conclusions: These findings are consistent with previous work showing increased rich-club connectivity in conditions associated with a hypofunctional dopamine system. The posterior shift in rich-club nodes in CUD suggests that the structural connectivity of posterior regions may be more impacted than previously recognized in models based on brain function and morphology. [ABSTRACT FROM AUTHOR]

Novel graphitic material containing chromium oxide (Cr 2 O 3 ) nanoribbons is obtained by carbonizing a mixture of polyfurfuryl alcohol and MIL–101(Cr) at 900 °C. Morphological, structural, and chemical analysis of the product is carried out with HR–TEM, SEM, XPS, XRD, and BET surface area. The maximum BET surface area recorded for the nanocomposite is 438 m 2 g −1 . The nanocomposite exhibits a specific capacitance as high as 300 F g −1 at 2 mV s −1 and 291 F g −1 at 0.25 A g −1 , and presents 95.5% long–term cycling stability over 3000 cycles. The pseudo-capacitive role of Cr 2 O 3 nanoribbons is found to be important towards total capacitance of nanocomposite material. [ABSTRACT FROM AUTHOR]

Electroforming-free cerium oxide-based bipolar resistive switching memory devices have been deposited using radio frequency magnetron sputtering technique. These devices demonstrate two types of forming-free cells: some in the low-resistance state and the others in high-resistance state. The transmission electron microscopy and X-ray diffraction analyses illustrate the formation of tantalum oxynitride layer between tantalum nitride (TaN) and cerium oxide (CeO x ), which looks to be responsible for the two types of cells as well as their memory performance. Ohmic and Poole–Frenkel conduction mechanisms are found to be responsible for charge transport in the low- and high-resistance states. The current–voltage characteristics and temperature dependence of resistance suggest that resistive switching mechanism in our TaN/CeO x /Pt devices may be explained by the model of connection and disconnection of filamentary paths made of oxygen vacancies. The reliability characteristics of TaN/CeO x /Pt devices indicate better endurance and stable retention performance at relatively lower programming voltages and larger memory window (OFF/ON resistance ratio ~ 10 3 ) at room temperature and at 100 °C. [ABSTRACT FROM AUTHOR]

Fully transparent resistive random access memory (TRRAM) device based on CeO 2 as active layer using indium-tin-oxide (ITO) electrodes was fabricated on glass substrate. The ITO/CeO 2 /ITO memory device shows 81% transmission of visible light, optical band gap energy of 4.05 eV, and exhibits reliable bipolar resistive switching behavior. X-ray diffraction of CeO 2 thin films demonstrated a weak polycrystalline phase. The low field conduction is dominated by Ohmic type while Poole–Frenkel effect is responsible for conduction in the high field region. The device reliability investigations, such as data retention (over 10 4 s) under applied stress and endurance tests conducted at room temperature and 85 °C show potential of our TRRAM devices for future non-volatile memory applications. [ABSTRACT FROM AUTHOR]

Accumulation of toxic heavy metals (THMs) in the soil-water-plant can negatively affects regional eco-safety and poses a threat to agricultural productivity, ecosystem, animals, humans and plants. Additionally, THMs can enter human bodies through the food chain, leading to an increased incidence of chronic diseases such as deformity and cancer. Leafy vegetables irrigated with untreated as well as contaminated waters were usually abounded with heavy metals in high concentrations. These contaminated leafy green vegetables although very popular here, may cause threats to human health, since these are usually grown in sub-urban areas, by irrigations of the untreated contaminated waters (canal water, groundwater and waste water carrying many city effluents). In this study, we analysed and measured the levels of hazardous metals (Zn, Cr, Ni, Cd, Cu, Fe and Pb) found in spinach (Spinacia oleracea L.) at 3 different places of district Sargodha. Results revealed that the measured concentrations of Cd in water and spinach, and that of Pb in spinach were exceeding the standard permissible limits. High values of health quotient were found for Cr, Cd and Pb. The sequence of EC was recorded in ascending order as Pb > Cr > Cd > Ni > Zn > Cu >Fe in all the samples which were examined. The results of the study conclude, as the heavy metals are carcinogenic for human health, not only proper monitoring of soil and irrigation water should be made as well as such contaminated vegetables may be avoided. • Non-conventional water resources (NCW) are alternate option for agriculture, landscaping, and forestry. • Ground water, canal water and city effluents wastewater were evaluated for trace metals (HMs) impact on spinach. • Cd and Pb was higher in spinach after treatment with three wastewater. • High values of health quotient were found for Cr, Cd and Pb. • Water treatment technologies should be advocated and implemented for safe use of NCW. [ABSTRACT FROM AUTHOR]

High specific capacitance coupled with the ease of large scale production is two desirable characteristics of a potential pseudo-supercapacitor material. In the current study, the uniform and conformal coating of nickel-cobalt layered double hydroxides (CoNi0.5LDH,) nanoflakes on fibrous carbon (FC) cloth has been achieved through cost-effective and scalable chemical precipitation method, followed by a simple heat treatment step. The conformally coated CoNi0.5LDH/FC electrode showed 1.5 times greater specific capacitance compared to the electrodes prepared by conventional non-conformal (drop casting) method of depositing CoNi0.5LDH powder on the carbon microfibers (1938 Fg-1 vs 1292 Fg-1). Further comparison of conformally and non-conformally coated CoNi0.5LDH electrodes showed the rate capability of 79%: 43% capacity retention at 50 Ag- 1 and cycling stability 4.6%: 27.9% loss after 3000 cycles respectively. The superior performance of the conformally coated CoNi0.5LDH is mainly due to the reduced internal resistance and fast ionic mobility between electrodes as compared to non-conformally coated electrodes which is evidenced by EIS and CV studies. [ABSTRACT FROM AUTHOR]

Highlights: [•] Low temperature pyrolysis of [Fe(bipy)3]Cl2 and [Mo(bipy)Cl4] homogeneous powder. [•] Easy low temperature alloying of immiscible metals like Fe and Mo. [•] Uniform sized Fe–Mo nanoalloy with particle size of 48–68nm. [•] Characterization by EDXRF, AFM, XRPD, magnetometery, 57Fe Mössbauer and impedance. [•] Alloy behaves as almost superparamagnetic obeying simple –R(CPE)– circuit. [ABSTRACT FROM AUTHOR]

Abstract: A synthetic gene encoding human proinsulin, containing Escherichia coli preferred codons, with an additional N-terminal methionine, was used for the expression, of M-proinsulin and construction of nine derivatives. No improvement in expression was noted, relative to that of M-proinsulin, when the 5′- of the gene was appended to codons for seven amino acids of a well expressed E. coli protein (threonine dehydrogenase), or the constructs contained multiple copies of the proinsulin gene. That in the latter constructs only the gene adjacent to the prometer sequence is expressed, was shown by a construct containing a proinsulin gene followed by that for interferon α-2b. With the latter construct, the proinsulin was, predominantly, expressed. The availability of data on the constructs prompted, subjecting these to analysis by two models designed to predict the expression of proteins from the sequences, of putative mRNA, around the start of translation but no significant relationship was noted. In all cases the proteins were expressed as inclusion bodies, which were refolded to give products of desired masses and successfully converted into insulin derivatives. Of all the constructs containing a trypsin sensitive site before phenylalanine (F), the N-terminal sequence, MKR↓F, was most efficiently processed, by a cocktail of trypsin and buffalo carboxypeptidase B, to give insulin with the removal of the N-terminus linker as well as the C-peptide in a single step, without cleaving the trypsin sensitive K29 T30 peptide bond. [Copyright &y& Elsevier]

The nonlinear monopile-soil dynamic response supporting an offshore wind turbine subjected to wind and waves in two multi-layered soil sites in the Arabian Sea are numerically analyzed in this work. Based on the numerical simulation, the impact of soil parametric variation in the near-pile soil region, variation in soil layering, pile diameters, pile wall thicknesses, sediment effect, variation in sea water depth and variation of wave and wind heights have been particularly emphasized in the frequency domain employing PISA design model. Numerical predictions for translational and rotational impedances with Fourier response amplitude compatibility have been investigated and verified using DynaN and Abaqus. The design optimization of soil-pile interaction up to one-third embedded depth is heavily influenced by changes in soil layer pattern and sedimentation. The results reveal that as the pile diameter and wall thickness rise, the dynamic impedance increases both horizontally and vertically as the pile approaches its tip. Subsequently, a parametric analysis and finite differences study are conducted to get insight into monopile-soil behavior by examining various mesh sizes,wave and wind heights effects. Finally, the validity results show that PISA model can be extended to a complex marine layered soil profiles with larger length-to- diameter (L/D) and diameter-to-pile wall thickness (D/t) ratio to get sound economic benefits in the future. [ABSTRACT FROM AUTHOR]

Electric vehicles (EVs) have remarkably emerged as an alternative for internal combustion engines. With high penetration levels of the EVs, its addition to the existing distribution line infrastructure affects the power quality and grid stability. Additionally, EV charging loads are characteristically different as they are mobile compared to other fixed node-connected loads. Proposing solutions without considering these factors may result in grid congestion and subsequent over/under compensations. Another emerging dynamics co-occurring in the distribution system is high penetration levels of renewable energy in the utility grid. Although these dynamics pose challenges in stable grid operation, it also gives opportunities for solving some of the grid integration issues of EV loads. Thus, the effect of adding EV charging load to the existing low voltage distribution system must be analyzed by considering different criteria such as grid impact with different EV chargers, mobile nature of EV load, power quality, voltage profile, and spread/peak demand of load curve. This paper presents a detailed report on the impact analysis of EV integration on the component and system levels. For analyzing the effect on power quality (component level), grid pollution contributed by EV chargers along with possible solutions is elucidated. Detailed discussion on the significance of EV load location, existing load distribution, and nature of EV charging load distribution is presented by considering different feeders and different load curves. These discussions are supported with simulated case studies followed by a review of existing literature for enhanced understanding. Finally, techniques employed to effectively model the mobile nature of EV load and distributed EVs potential to provide ancillary solutions are also explained. • Simulation results of grid distortion by different EV loads are discussed. • A detailed analysis of the impact of EV load on low-voltage distribution is presented. • Review of EV load impact on different feeders' voltage profile is discussed. • Probabilistic and stochastic model quantifying the EV load random are highlighted. • Opportunities for solving grid issues with distributed EVs are summarized. [ABSTRACT FROM AUTHOR]

Abstract: A magnetically separable single-phase MgFe2O4 photocatalyst with a spinel crystal structure was synthesized by using the solid-state reaction method. The formation of spinel structure is confirmed by X-ray diffraction and Fourier transform infrared spectroscopy. The magnetic measurements showed that the photocatalyst material can be separated from water when an external magnetic field is added and redispersed into water solution after the external magnetic field is eliminated. It is one of the promising photocatalysts for waste water treatment. The photocatalytic activity of MgFe2O4 was investigated by using the photo-decomposition of methylene blue dye under visible light. The photoelectrochemical property of the MgFe2O4 was studied by measuring their photocurrent–potential behavior in 1 M NaOH electrolyte under AM 1.5100 mW cm−2 illumination. [Copyright &y& Elsevier]

Abstract: Ultrathin nanoflakes of Ni(OH)2 were synthesized onto multi-walled carbon nanotubes (MWCNTs) by simple low cost chemically precipitation method for high performance electrochemical supercapacitor applications. The synthesized ultrathin Ni(OH)2 exhibit high specific capacitance of 1735Fg−1 at a scan rate of 5mVs−1 with excellent rate capability. This high performance of Ni(OH)2 nanoflakes was attributed to its complete accessibility to the electrolyte and maximum utilization of metal hydroxides. Findings of this work suggest that synthesized electrodes offer low-cost and scalable solution for high-performance energy storage devices. [Copyright &y& Elsevier]

Abstract: Biodiesel was derived from okra (Hibiscus esculentus) seed oil by methanol-induced transesterification using an alkali catalyst. Transesterification of the tested okra seed oil under optimum conditions: 7:1 methanol to oil molar ratio, 1.00% (w/w) NaOCH3 catalyst, temperature 65°C and 600rpm agitation intensity exhibited 96.8% of okra oil methyl esters (OOMEs) yield. The OOMEs/biodiesel produced was analyzed by GC/MS, which showed that it mainly consisted of four fatty acids: linoleic (30.31%), palmitic (30.23%), oleic (29.09%) and stearic (4.93%). A small amount of 2-octyl cyclopropaneoctanoic acid with contribution 1.92% was also established. Fuel properties of OOMEs such as density, kinematic viscosity, cetane number, oxidative stability, lubricity, flash point, cold flow properties, sulfur contents and acid value were comparable with those of ASTM D 6751 and EN 14214, where applicable. It was concluded that okra seed oil is an acceptable feedstock for biodiesel production. [Copyright &y& Elsevier]

Abstract: A low temperature chemical approach which beats the miscibility barrier of Fe and Mg has been designed to synthesize Fe–Mg2 nanoalloy and tested to result nanoparticles of average 30nm size. The nanoalloy is amorphous in nature and characterized by XPRD, AFM, magnetometery, Mössbauer and impedance spectroscopies. The result of magnetic measurement suggests the sample to be superparamagnetic as evidenced by the 57Fe Mössbauer spectroscopy. The two Mg atoms occupy different positions around iron resulting in two phase system as shown by Mössbauer and impedance spectroscopies. [Copyright &y& Elsevier]

[Display omitted] • The polymeric compound [{NiII(4,4ʹ-dipy) 4 }{Ni(CN) 4 }] n (1) is presented as electrocatalyst towards water oxidation. • 1 has showed ca. 28 times enhanced surface concentration (Γ = 39.5 nmol/cm2), compared to the reported CoFe(CN) 6 (Γ = 1.4 ± 0.2 nmol/cm2). • The overpotential of merely 315 mV is required to produce a current density of 1 mA/cm2. • The development is designing the noble metal (Pt/Ru/Ir) free, efficient electrocatalysts for water oxidation reaction. The search of proficient, copious, economical and robust electrocatalyst is of prime prerequisite. Recently, the usage of cyanometallate based coordination polymers as electrocatalysts for water oxidation has acquired an expanding measure of attraction attributable to their high surface area and stability. In this study, a homo-metallic Ni based cyanometallate coordination polymer [{NiII(4,4ʹ-dipy) 4 }{Ni(CN) 4 }] n ·(4,4ʹ-dipy)·3H 2 O·C 2 H 6 O 2 (1) (4,4ʹ-dipy = 1,3-di(4-pyridyl)propane) is presented as an efficacious and robust electrocatalyst towards water oxidation reaction at pH = 13. The inimitable 3-D zig-zag topology of 1 has directed to ~28 times enhanced surface concentration (Γ) i.e. 39.5 nmol/cm2 as compared to the reported CoFe(CN) 6 (Γ = 1.4 ± 0.2 nmol/cm2). The 1 presents a TOF of 0.25 s−1 at an overpotential (η) of 381 mV (vs. RHE) which is much larger than those reported for other cyanide bridged and Ni based coordination polymers for instance: CoFe(CN) 6 (TOF = 2 × 10−3 s−1, η = 300 mV), CoFe(CN) 5 -PVP (TOF = 2 × 10−3 s−1, η = 284 mV), Codca2 (TOF = 2 × 10−3 s−1, η = 358 mV), Ni-UMOFNs (TOF = 0.18 s−1, η = 300 mV), bulk NiCo-MOFs (TOF = 0.15 s−1, η = 300 mV) and Ni-MOF/NF (TOF = 0.25 s−1, η = 400 mV). The overpotential (η) of of 315 mV is required to produce a current density (J) of 1 mA/cm2. Controlled potential electrolysis (CPE), PXRD and FT-IR experiments confirm that 1 remains active and chemically integrate over a 36,000 s test reaction. The outcomes of the comprehensive electrochemical investigations are prophesied to direct the imminent development in designing noble metal free, efficient and low-priced electrocatalysts for oxygen evolution reaction. [ABSTRACT FROM AUTHOR]

• The manuscript presents method to characterize solid particle clusters using digital image analysis and Eulerian CFD. • Cluster size increases with the increase in particle dimeter as well as with the increase in initial solid concentration. • 1% concentration shows single peak while 5 & 10% show bimodal cluster distribution. Presence of meso-scale structures such as particle clusters and gas bubbles is ubiquitous in fluidized beds frequently used in pyrolysis of coal and biomass. In recent years, bubbling and circulating fluidized beds have become popular for highly efficient conversion of carbonaceous feedstock into pyrolysis products. The characterization and study of hydrodynamics inside these reactors can provide an insight into the mechanisms controlling the performance of these reactors. Among others, cluster size distribution and mean cluster size are the key parameters defining the hydrodynamics of these reactors. In the current work, Digital Image Analysis (DIA) was applied to computationally obtained instantaneous snapshots during the CFD simulations of gas-solid flows. Transient two fluid modeling (TFM) was applied to three different gas-solid systems in periodic domains with different particulate systems keeping same grid size. The dimensionless axial cluster size was defined in line with literature. The cluster sizes and their distributions are obtained and compared with the available empirical correlations present in the literature based on experimental observations having similar range of operating conditions as well as system characteristics. It is found that the results of current approach agree well with the available data. The methodology followed in current work presents an alternative to expensive experimentation for development of a universal cluster size correlation. [ABSTRACT FROM AUTHOR]

• Synthesis of mono- and bis-Schiff base ligands of 3,5-diamino-1,2,4-triazole along with their transition metals complexes. • Experimental (IR, UV-Vis, 1HNMR, 13CNMR, ESI-MS) and computational characterization at B3LYP/6-311G(d.p) was done. • Thermal stability and fluorescence properties of compounds were evaluated. • In vitro evaluation of the synthesized ligands and their corresponding 3 d -metal complexes against five pathogenic bacterial species. • Enzyme inhibitory evolution of compounds against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes. The aim of this project was to introduce novel bioactive compounds through the design and synthesis of two mono-Schiff bases, 4- [(5-amino-1H-1,2,4-triazol-3-yl)imino]methylbenzene-1,3-diol (L1) and 2- [(5-amino-1H-1,2,4-triazol-3-yl)imino]methyl}-6-methoxyphenol (L2) and one bis-Schiff base, 2,2′-{1H-1,2,4-triazole-3,5-diylbis [nitrilomethylylidene]}bis(6-methoxyphenol) (L3) together with their complexes of transition metals [VO(IV), Cr(III), Mn(II), Fe(II), Co(II), Ni(II), Cu(II), and Zn(II)]. The molecular structures of as-synthesized Schiff bases were explicitly confirmed by physical, spectral, analytical and computational studies. Quantum chemical calculations based on density functional theory (DFT) were performed at B3LYP/6-311+G(d.p) level to explore the optimized geometrical structures, molecular electrostatic potential (MEP), Mulliken atomic charges (MAC) and frontier molecular orbital (FMO) analysis of the as-synthesized ligands. The FMO energy gaps were rationalized to be 0.162, 0.158 and 0.138 eV for ligands (L1), (L2) and (L3) , respectively which can efficiently polarize their chemical structures. As-synthesized metal complexes have good agreement with their purposed structures with octahedral geometry except vanadium complexes, which have square pyramidal geometry. As-synthesized compounds were also evaluated through thermogravimetry and fluorescence analysis. Additionally, the compounds were also scrutinized for antibacterial activity against five bacterial strains (Halomonas halophila, Chromohalobacter israelensis, Escherichia coli, Chromohalobacter salexigens and Halomonas salina) and enzyme inhibition bioassay against butyrylcholinesterase (BChE) and acetylcholinesterase (AChE). The results showed that the complexes (15) and (1) were the most active inhibitors of BChE and AChE enzymes with 94.60% and 90.90% activity, respectively. Moreover, all the compounds also exhibited significant antibacterial activity. It has been found that the metal complexes displayed more biological activity in contrary to parent ligands as a result of chelation. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract: Vitamin A deficiency is one of the major nutritional deficiencies affecting population in developing regions. In Pakistan, 60% of the child deaths are due to diarrhea and respiratory infection, which are associated with vitamin A deficiency. This study was to assess the bioavailability and stability of vitamin A fortificant in cookies fortified with retinyl acetate. Cookies fortified with Vitamin A (retinyl acetate) were manufactured and physically, chemically and sensorial analyzed. Efficacy studies were carried and Serum retinol concentrations were measured to assess the bioavailability of Vitamin A (retinyl acetate), different organ weights were also measured to check the effects of Vitamin A (retinyl acetate) on organ weights and body growth. The treatment T4 containing (257.85μg) 45% RDA fortification level of retinyl acetate was judged best considering, physical, chemical and sensory characteristics. Baking losses were lowest in T4. Efficacy study revealed that Serum retinol concentrations were 125.19μg/dl in control group and it was raised to 148.64μg/dl in T4. Liver, lungs, left kidney, right kidney, heart, spleen, brain, left testicles and right testicles increased in their weights when fed with vitamin A fortified diet as compared to control. Exceptions were only brain and spleen, in spleen it remained stable and brain weight reduced as compared to control. Fortification of cookies with 257.85μg (45% RDA) of retinol acetate improved nearly all quality attributes and through efficacy studies it was concluded that vitamin A significantly affects growth and body functioning of rats. Concludingly cookies fortified with 257.85μg of retinol acetate can be used effectively to overcome vitamin A deficiency in the children. [Copyright &y& Elsevier]

[Display omitted] • Electrical and dielectric properties of HA and Cr-HA are extensively investigated. • The conductivity of Cr-HA is increased suggesting its improved bio-conductivity. • Polyvalent Cr and OH site vacancies are proposed to reduce the overall conductivity. • Ionic conduction can effect the electrical and dielectric properties of Cr-HA. The electrical and the dielectric response of synthesized hydroxyapatite (HA) and Cr doped HA samples are obtained by impedance spectroscopy analysis. Variation in conductivity of materials was associated with the mutual interaction of Cr(III) and Cr(IV) with OH vacancies. The observed έ _LF and έ _HF dispersions of log έ vs log(f) spectra of HA and Cr-HA-100 are related to dipolar relaxations of H+ and OH− ions. The interfacial polarization is responsible for the colossal magnitude of dielectric constant and dielectric loss. This study suggests that the controlled ionic conduction, microstructure, and interfacial effects could produce excellent electrical and dielectric properties. [ABSTRACT FROM AUTHOR]

We report on the charge carrier confinement of the hematite and Hematite/Molybdenum di-telluride (α -Fe 2 O 3 @MoTe 2) nanocomposites with special focus on the formation and role of interface states. X-ray diffraction (XRD) data confirms the existence of α -Fe 2 O 3 in trigonally distorted rhombohedral while the MoTe 2 in 2H hexagonal phase. Interfacial behavior and local chemical structure of the α -Fe 2 O 3 and α -Fe 2 O 3 @MoTe 2 nanocomposites were observed from the Mössbauer spectroscopy data. The hyperfine field splitting of the composite sample confirms the existence of the Fe3+ ions in two different octahedral environments, where 10% of surface Fe ions are in chemical interaction with the MoTe 2 layers thereby making interfacial states. UV–Vis diffuse reflectance spectroscopy was employed to determine the band gap and band tail states, which are the key parameters in controlling the localization behavior. The conductivity, relaxation behavior and charge carrier confinement were observed by employing impedance spectroscopy. Image 1 • Synthesis of α -Fe 2 O 3 @MoTe 2 Nanocomposites. • Interface States. • Effect of MoTe2 interfacing on the Band Gap and charge carrier localization. • Mossbauer spectroscopy has been employed to understand the local chemical structure. • Impedance spectroscopy is used to understand the localization behaviour. [ABSTRACT FROM AUTHOR]

Depending on the use and management, wastewater generation can be a severe environmental dilemma or a potential source. Proper application and management of municipal water (MW) in agriculture could be its sustainable use. Until now, there is rare data about the combined application of wastewater and freshwater in agriculture that could be considered as sustainable water management strategy. Also, plant (oxidative) stress responses to wastewater application have been rarely investigated. Here, we elucidated the influence of MW irrigation, diluted with canal water (CW) and groundwater (tap water; TW), on Vigna radiata to evaluate (i) the accumulation of potentially toxic metal(loid)s (PTMs; arsenic, copper, cadmium, iron, manganese, lead, nickel, zinc) in different plant tissues, (ii) biochemical modifications in plants, (iii) relative compartmentation of PTMs inside plant, and (iv) PTMs-induced health risk. Results revealed that the soil-plant transfer of PTMs and physiological changes in V. radiata varied depending on the irrigation water type. Noticeably, plants sequestered most of the PTM contents in roots (average 64%) and less were translocated to plant shoots. All the irrigation treatments provoked oxidative stress in V. radiata with high production of hydrogen peroxide, followed by an oxidation of membrane lipids and a decrease in chlorophyll content. The estimated cancer risk and hazard quotients values revealed a potential risk to human health (HQ: 2.2–108.8, CR: 0.0002–0.664), especially for arsenic, cadmium and lead. The integrated risk estimated from PTMs highlighted the unsuitability of all the treatments for crop irrigation. Therefore, in areas with high PTM levels in MW and freshwaters their mixed use is not an ideal management practice. Conclusively, this study helps to strictly monitor the quality of irrigation water before applying to crops and develop a suitable management and remediation strategy. Image 1 • Crop irrigation using municipal water is a common practice in Vehari-Pakistan. • Most of the potentially toxic metals (PTMs) were sequestered in V. radiata roots. • Plants exhibited oxidative stress and showed a linear trend in physiological parameters. • Risk models showed potential health risks for As, Cd and Pb acquisition in plants. [ABSTRACT FROM AUTHOR]

Structural, magnetic, optical and electronic properties of GeGa 2 O 4 , CoGa 2 O 4 , GeCo 2 O 4 and CoCo 2 O 4 spinel oxides have been studied. Spinel oxides are studied by performing theoretical calculations based on density functional theory. In non-magnetic host GeGa 2 O 4 spinel oxide, significant effects of Co occupancy (at A, B and/or both sites) on the electronic, magnetic and optical behavior have been observed. Among the spinel oxides, the CoGa 2 O 4 , GeCo 2 O 4 and CoCo 2 O 4 spinel oxides show 100% spin-polarization and exhibit stable cubic structure in ferromagnetic phase. The calculated structural and magnetic parameters predict the cation distribution at A and B sites as follows: (G e 2 + ) [ G a 2 3 + ] O 4 − 2 , (C o 2 + ) [ G a 2 3 + ] O 4 − 2 , (G e 4 + ) [ C o 2 2 + ] O 4 − 2 and (C o + 2 ) [ C o 2 3 + ] O 4 − 2 for GeGa 2 O 4 , CoGa 2 O 4 , GeCo 2 O 4 and CoCo 2 O 4 spinel oxides, respectively. The electronic band gap is found to be decreased from 1.605 eV to 0.762 eV for spin↑ state while it is decreased from 1.578 eV to 0.000 eV for spin↓ state with Co occupancy in host GeGa 2 O 4 lattice. Lattice constant decreases (8.7877 Å to 8.1390 Å) as Co occupies B site and/or both (A and B) sites. For GeCo 2 O 4 spinel oxide, the calculated value of total magnetic moment (m tot = 6.12 μ B / f.u) and saturation magnetization (M S = 134.22 emu/g) is found to maximum. Optical properties reveal that the CoGa 2 O 4 , GeCo 2 O 4 and CoCo 2 O 4 spinel oxides have less threshold electronic transition energy relative to host GeGa 2 O 4 spinel oxide. Electronic, magnetic and optical characteristics show potential integration of these spinel oxides in magnetic-semiconducting devices. Image 1 • Effects of Co occupancy on different atomic sites in GeGa 2 O 4 spinel are studied. • Cubic CoGa 2 O 4 , GeCo 2 O 4 and CoCo 2 O 4 spinel oxides show 100% spin-polarization. • Co occupying A, B or both sites decreases the electronic and optical band gap. • GeCo 2 O 4 spinel oxide shows half metallic behavior with m t o t = 6.12 μ B / f.u and M S = 134.22 emu/g. • All spinel oxides show maximum absorption and optical conductivity in UV region. [ABSTRACT FROM AUTHOR]

• The present study has been carried out to evaluate KAP of inhabitants of North Waziristan Agency, KPK province of Pakistan regarding CL. • A cross-sectional study based on community was piloted in new emerging district North Waziristan Agency KPK province of Pakistan from August 2019- February, 2020 to examine the Knowledge, Attitude and Practices (KAP) of the community regarding CL. • The study's findings indicate the participants of study areas have limited knowledge related to aetiology, risk factors and treatment facilities of CL. • It is recommended to initiate health education and awareness campaigns to reduce the disease risk and burden in this highly endemic area in near future. Recent outbreaks of Cutaneous Leishmaniasis (CL) in Waziristan make the disease a public health concern in Khyber Pakhtunkhwa (KPK) province, Pakistan. The awareness and behavior of local community towards the disease is an important factor towards effective control and management of CL in endemic areas of Pakistan. A cross-sectional community based survey was piloted in new emerging district of North Waziristan Agency (KPK province), Pakistan from August 2019- February 2020. The study aimed to examine the Knowledge, Attitude and Practices (KAP) of the local community members regarding CL. The results revealed that majority of the participants were male. Only 48.2% participants have knowledge about CL and the respondents had a moderate knowledge of CL vector and the disease. Few of the respondents were aware that CL is caused by sand flies, their breeding place, biting time, transmission of CL and control measures. Skin infection and sand-flies were the main disease symptoms and disease vector were known to some of the respondents. Most of the respondents showed positive attitude towards disease seriousness and believed that the disease could be cured and can be treated through modern medicines. Admission to hospitals, cleanliness and use of bed nets were the treatment measures for the disease in suspected patients, whereas some believed that the use of bed nets could be helpful in preventing the leishmaniasis. Moderate knowledge of the CL and its transmission in the study area emphasize the need to initiate health education and awareness campaigns to reduce the disease risk and burden in this highly endemic area in near future. [ABSTRACT FROM AUTHOR]

Several studies have examined the impact of economic growth on carbon emission; however, the symmetric and asymmetric impact of oil price along with FDI on carbon emission has not studied in the case of Pakistan. For this purpose, the long and short-run impact of per capita income, FDI, and oil price on carbon emissions investigated by employing the ARDL and non-linear ARDL cointegration methodology, along with Granger causality in the context of Pakistan for 1971–2014. This study confirms the EKC hypothesis for Pakistan under both methodologies, whereas symmetric results show that economic growth and FDI intensify carbon emission in both the long and short-run, while oil price increase emission in the short-run and reduces emission in the long-run. Whereas asymmetric results in the long-run show that an increase in oil price reduces emissions and decrease in oil price intensify emissions. The causality analysis also supports the above findings and suggests a feedback effect between economic growth and carbon emission in Pakistan. This study provides implications for policymakers, where the descending flow of FDI allows limited space to Pakistan in FDI selection; however, the presence of emission convergence and adoption of carbon pricing may facilitate Pakistan in achieving its environmental targets. While diversifying the overall energy mix towards more renewable/clean energy along with formulating favorable policies for the adoption of renewable energy like solar by the industrial and residential consumers can further reduce the overall emission levels. Unlabelled Image • This study examines the symmetric and asymmetric effects of oil price, FDI, and economic growth on carbon emission. • Confirm the presence of the EKC hypothesis for Pakistan, both in the long and short-run. • Pakistan is a pollution haven for FDI, both in the long and short-run. • Symmetric results indicate that the oil price enhances emissions in the short-run while reducing emissions in the long-run. • Asymmetric results show that a rise in oil price lowers emission while a fall in oil price raises emission in the long-run. [ABSTRACT FROM AUTHOR]

Grilled meat consumption is associated with exposure to carcinogenic compounds and increased risk factors for cancers. We investigated the efficacy of novel formulations of unfiltered India session ale and Wheat ale based-marinades enhanced with antioxidant-rich herbs and spices to suppress formation of carcinogenic heterocyclic amines (HCAs) while protecting anticarcinogenic conjugated linoleic acids (CLAs) from lipid oxidation in grilled ruminant meats. Both formulations significantly enhanced the polyphenolic content of grilled beef by 54–71% and moose meat by 178–314% compared to their unmarinated controls. The antioxidant activities increased by 57–96% and 58–139% with concomitant suppression of total conjugated linoleic acid oxidation by 30–37% and 432% in grilled beef and moose meats respectively compared to their unmarinated counterparts. Furthermore, 88–97% of HCA suppression and 61–71% of CLAs retention came from phenolics in the marinades. This system could be useful for reducing the risk factors associated with red meat consumption while promoting health. • Novel beer marinates retained high levels of meat anti-carcinogenic linoleic acids. • Marination significantly suppressed formation of carcinogenic heterocyclic amines. • The novel beer marinades enhanced the antioxidant and phenolic content of meats. • Marination with beer marinades suppressed lipid oxidation in grilled meats. • Session beers are novel sources of dietary phenols and antioxidants. [ABSTRACT FROM AUTHOR]

Sr(OH) 2 Pd/rGO nanocrystals supported on reduced graphene oxide (rGO) is presented as high performance electrocatalyst for methanol and ethanol oxidation. The synthesized Sr(OH) 2 Pd/rGO exhibits significantly improved electrocatalytic activity and durability compared with Pd/rGO electrocatalyst. Moreover, the onset potential for methanol and ethanol oxidation was much lower for Sr(OH) 2 Pd/rGO due to the lower resistance as compared with Pd/rGO. This work presented the effect of OH−1 species which are supposed to increase the alcohol oxidation due to efficient removal of the intermediate species. Cyclic voltammetry, chronoamperometry, square wave voltammetry and impedance results demonstrate that Sr(OH) 2 Pd/rGO/rGO catalyst has superior catalytic activity for methanol and ethanol oxidation as compared to Pd/rGO catalyst. [ABSTRACT FROM AUTHOR]

• A rare structural topology based on copper hydroxide layers is observed in [Cu 3 (OH) 4 (oba)] n (1). • Compound 1 exhibits excellent water oxidation catalysis activity in basic solution. • Chronoamperometric studies show that 1 reaches a current density of 0.1 mA cm−2 at η = 576 mV. • Catalyst 1 showed a turnover frequency (TOF) of 2 × 10−3 s−1 at 418 mV. • Compound 1 retains its structural integrity during catalytic reactions. An uncommon copper(II) hydroxide layer-based coordination polymer [Cu 3 (OH) 4 (oba)] n (1) (oba = 4,4′-oxybisbenzoate) has been synthesized and tested as electro-catalyst for water oxidation under basic conditions. In comparison to classical Cu(OH) 2 , 1 exhibits improved thermal stability of up to ca. 350 °C. Chronoamperometry studies indicate that catalyst 1 reaches an anodic current density of 0.1 mA cm−2 at η = 576 mV; a TOF of 2 × 10−3 s−1 at 418 mV overpotential value. The catalyst 1 shows Faradaic efficiency of 95%. Long-term catalytic studies for 10 h at a constant potential of 1.2 V indicate that compound 1 is robust and retains its chemical composition. Infrared spectroscopy, powder X-ray diffraction analysis, X-ray photoelectron spectroscopy and cyclic voltammetry studies of the pristine and post-catalytic compound 1 -coated FTO electrodes further confirm that 1 retains its structural integrity throughout the catalytic cycle. Our results represent a proof-of-concept for designing next-generation robust and improved OER electrocatalysts based on earth-abundant metals. [ABSTRACT FROM AUTHOR]