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Various disadvantages such as indolent oxidation/reduction and carbon-hydrogen (C–H) activation has hindered the commercialization of solid oxide fuel cells (SOFCs) operated with multi fuels at low temperatures (i.e. 400-700)°C. Extensive efforts have been made for the efficient performance of SOFCs by utilizing safe and cheap hydrocarbon fuels at low temperatures. In the current investigation, electrochemical performance of novel anode and cathode material SrMo 0.5 Fe 0.5 O 3-δ (SMFO) is evaluated in the presence of multi-fuels such as hydrogen (gaseous), ethanol (liquid) and sub-bituminous coal (solid) at low temperature ∼ 700 °C. SMFO (synthesized through solid state reaction route) is thoroughly investigated via X-Ray Diffractometer (XRD), Scanning Electron Microscope (SEM) and Transmission Electron Microscope (TEM). The average particle size measured is in the range from (60–90) nm. The electrical conductivity and power density is obtained between (190–389) S/cm and (994–1796) × 10−3 W/cm2 respectively among the various fuels. SMFO nanomaterial exhibits greater electrical conduction ∼390Scm−1 and power density ∼1687 × 10−3W/cm2 with ethanol to be utilized as fuel. The activation energies for SMFO are found to be (1.06, 0.65, 0.56) eV in the presence of hydrogen, ethanol and coal respectively. The active conduction and improved power densities make the fabricated nanomaterial well suited for SOFCs (at low temperature) both as cathode and anode with multi-fuel consumption. [Display omitted] • Novel SMFO is synthesized via solid state reaction route. • SMFO is fuel flexible symmetric electrode material for SOFCs at low temperature. • SMFO is operated successfully with hydrogen, ethanol and sub-bituminous coal. • Maximum conductivity and power density were indicated with ethanol as fuel. • Lowest activation energies ∼0.56eV was obtained for sub-bituminous coal. [ABSTRACT FROM AUTHOR]

In several types of cancers, the expression of carbonic anhydrase-IX (CA-IX) enzyme is elevated than its normal level which ultimately plays a key role in the tumor growth of epithelial cells in breast and lung cancer by acidifying tumor microenvironment, therefore, inhibition of this target is important in antitumor therapy. We have synthesized bis -benzimidazole derivatives (1–25) by using 3,3′-diaminobenzidine and various aromatic aldehydes and characterized by various spectroscopic methods (UV/Visible, 1HNMR, 13CNMR, and mass spectrometry). Their inhibitory potential for human CA-IX (h CA-IX) was evaluated in-vitro , where several synthesized derivatives showed potent inhibition of h CA-IX (IC 50 values in range of 5.23 ± 1.05 to 40.10 ± 1.78 μM) and compounds 3–5 , 7–8 , 13–16 , 21 and 23 showed superior activity than the standard drug "acetazolamide" (IC 50 = 18.24 ± 1.43 μM). Furthermore, all these compounds showed no toxicity on human fibroblast cell lines (BJ cell lines). Moreover, molecular docking was carried out to predict their binding modes in the active site of CA-IX and revealed a significant role of imidazole ring of synthesized entities in their effective binding with the specific residues of CA-IX. The obtained results paved the way for further in vivo and other pharmacological studies for the optimization of these molecules as possible anti-cancer agents. [ABSTRACT FROM AUTHOR]

In several types of cancers, the expression of carbonic anhydrase-IX (CA-IX) enzyme is elevated than its normal level which ultimately plays a key role in the tumor growth of epithelial cells in breast and lung cancer by acidifying tumor microenvironment, therefore, inhibition of this target is important in antitumor therapy. We have synthesized bis -benzimidazole derivatives (1–25) by using 3,3′-diaminobenzidine and various aromatic aldehydes and characterized by various spectroscopic methods (UV/Visible, 1HNMR, 13CNMR, and mass spectrometry). Their inhibitory potential for human CA-IX (h CA-IX) was evaluated in-vitro , where several synthesized derivatives showed potent inhibition of h CA-IX (IC 50 values in range of 5.23 ± 1.05 to 40.10 ± 1.78 μM) and compounds 3–5 , 7–8 , 13–16 , 21 and 23 showed superior activity than the standard drug "acetazolamide" (IC 50 = 18.24 ± 1.43 μM). Furthermore, all these compounds showed no toxicity on human fibroblast cell lines (BJ cell lines). Moreover, molecular docking was carried out to predict their binding modes in the active site of CA-IX and revealed a significant role of imidazole ring of synthesized entities in their effective binding with the specific residues of CA-IX. The obtained results paved the way for further in vivo and other pharmacological studies for the optimization of these molecules as possible anti-cancer agents. [ABSTRACT FROM AUTHOR]

In depth and detailed study about various classes of aerosols over an urban city of Beijing has been carried out, with the help of cluster technique during the period from (2005–2017). Aerosol Robotic Network (AERONET), retrieved data for Aerosol Optical Depth (AOD), Angstrom Exponent (AE), Extinction Angstrom Exponent (EAE), Absorption Angstrom Exponent (AAE), Single Scattering Albedo (SSA), Real and Imaginary index of Refraction (RRI & IRI respectively), Asymmetry Parameter (ASY) has been utilized for discrimination of aerosols over the study site. Higher mean values of AOD and AE were found in winter and spring season as (0.86 ± 0.38, 0.85 ± 0.32) and (1.06 ± 0.36, 1.19 ± 0.21), while lower values (0.75 ± 0.33, 0.75 ± 0.33) and (0.97 ± 0.22, 0.85 ± 0.17) for summer and autumn season respectively, representing mixed anthropogenic aerosols over the site. Three main types of aerosol were reported in this study: Mixed Carbonaceous (MC), Biomass Residuals (BR), and coarse mode local and transported Dust Particles (DP). Various aerosol parameters and their inter-relationship were investigated in detail to analyze the dominant aerosol type and its seasonal variations. The EAE and AAE values ranged from (0.10–1.77 and 0.00–1.70 respectively), could mainly be attributed towards MC aerosols. Real and Imaginary parts of Index (RRI & IRI) were recorded in the range from (1.33–1.60 and 0–0.010) respectively. Similarly, the range for SSA and ASY was found as (0.79–0.99 and 0.43–0.78) respectively. Back-trajectories using Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model revealed transportation of air masses from Mongolian deserts, Gobi desert, and other neighboring regions (i.e. Russia and Kazakhstan). • Aerosols study of Beijing • AERONET • AOD • Carbonaceous aerosols [ABSTRACT FROM AUTHOR]

A new Ca-complex (Ca (H 2 O) 4 (C 12 H 8 N 2 ) 2 )(C 7 H 4 N S 2 ) 2 has been synthesized by the reaction of calcium chloride, sodium 2-mercaptobenzothiazole and 1,10-phenanthroline. The complex was characterized by using X-ray crystallography and FT-IR spectroscopy. The complex was tested against different bacterial strains i.e. Staphylococcus aureus, Escherichia coli, Acinetobacter baumanni, Providencia stuartii and Pseudomonas aeruginosa. The complex was found to exhibit remarkable anti-bacterial activity against Pseudomonas aeruginosa with an inhibition zone of 25 mm and good anti-bacterial activity against Acinetobacter baumanni with a zone of inhibition of 16 mm comparable to the Levofloxacin standard (zone of inhibition of 25 mm). [ABSTRACT FROM AUTHOR]

In this present work, Al–Sr and Al–Cd nano-materials (NMs) were fabricated trough co-precipitation route. The synthesized NMs were subjected to various advanced techniques such as XRD, XPS, SEM, DRS and BET. XRD patterns showed prominent peaks for Al, Sr and Cd elements within the synthesized samples. SEM images depicted nano size agglomerated particles for Al–Sr and tubular layered structure for Al–Cd-NMs with the average particle size in the range from (40–45) nm. The elemental content within the fabricated samples was investigated in detail via XPS technique. Surface area adsorption (SAA) parameters obtained from BET analysis were ∼122.32 m2/g, 162.41 m2/g (surface area), 0.1231 cm3/g, 0.4312 cm3/g (pore volume) and 0.8996, 0.9982 nm (pore size) for Al–Sr and Al–Cd-NMs. Energy band gaps ∼2.58 (for Al–Sr) and 2.53eV (for Al–Cd) were obtained through DRS. Furthermore, the fabricated samples were tested for humidity sensing ability. The NMs were indicated with decreased resistance as (987–344) MΩ and (924–290) MΩ for Al–Sr and Al–Cd respectively. Response/recovery time ∼60s/44s for (Al–Sr) and ∼29s/45s for (Al–Cd) was calculated. Both the samples were found highly stable for a longer period of 105 days (with the time gap of 20 days) with the variation in resistance less than 2%. Stable microstructure, quick response-recovery behaviour and low hysteresis categorize these two NMs well suited for resistive response of humidity sensing at industrial level. [Display omitted] • Al–Sr and Al–Cd nano-materials. • Surface area adsorption. • Humidity sensing. • Response/recovery time. [ABSTRACT FROM AUTHOR]

• Five new alkali metal complexes (1 – 5) with nirogen and oxygen donor ligands have been synthsized and charcterized by infrared and UV–vis spectroscopy, elemental analysis, 1H NMR, and single-crystal X-ray diffraction analysis. • The complexes displayed excellent activities against oral and lung cancer cells with the least toxicity toward normal cells. In this report, we present five new alkali metal complexes (1 – 5) that displayed excellent anticancer and antibacterial activities in solutions. 1,10-phenanthroline (phen), salicylic acid (sa) benzoic acid (ba), and p-aminobenzoic acid (paba) ligands were employed in complexation reactions. The complexes were characterized by a variety of analytical techniques including infrared and UV–vis spectroscopy, elemental analysis, 1H NMR, 13C NMR, and single-crystal X-ray diffraction analysis. We described the structures of three mononuclear lithium complexes [Li(phen) 2 (sal)] (1), [Li(phen) 2 (ba)] (2), {[Li(phen)(H 2 O) 3 ].(paba)} (3), a mononuclear sodium complex [Na(phen)(paba)(H 2 O)] (4) and an unsual tetranuclear cesium complex [Cs 4 (phen) 4 (paba) 4 (H 2 O) 2 ] (5). The complexes in solution displayed excellent activities against oral and lung cancer cells with the least toxicity toward normal cells when compared to the standard drug 5-fluorouracil and cisplatin. [Display omitted] [ABSTRACT FROM AUTHOR]

We report synthesis, characterization and anti-cancer activities of four new magnesium, calcium and strontium complexes containing 1, 10 – phenanthroline, p-amino benzoic acid and cinnamic acid. [Display omitted] Reactions of 1,10-phenanthroline (phen), p-amino benzoic acid (paba) and cinnamic acid (cina) with MCO 3 (M = Mg, Ca, Sr) yielded two mononuclear magnesium complexes [{Mg(phen)(H 2 O) 4 }(phen)(paba) 2 ] (1) and [{Mg(phen)(H 2 O) 4 }(phen)(cina) 2 ] (2) and two one dimensional chains of both calcium and strontium [Ca(phen)(cina)] n (3), and [Sr(phen)(cina)] n (4) respectively. The structures were characterized by a variety of analytical techniques including IR, UV–Vis, 1H NMR, elemental analysis, and single crystal X–ray diffraction analysis. In these complexes, phen binds via an N,Ń –chelate pocket, while the monoanionic paba— / cina— ligands either remains uncoordinated (in case of 1 and 2) or coordinated in a tridentate fashion (in case of 3 and 4). Complexes 1 , 3 and 4 crystallize in the same orthorhombic space group Pbcn while complex 2 crystallizes in triclinic space group P 1. In complex 1 and 2 , Mg2+ cation adopts a distorted six-coordinate octahedral geometry comprising an [N 2 O4] donor set while in complexes 3 and 4 , Ca2+ and Sr2+ cations adopt a distorted eight-coordinate geometry comprising [N2O6] donor sets. Complexes 1, 2 and 4 were found to be potent anticancer against oral cancer cell line i.e. CAL-27 with IC 50 1.85 ± 0.11 , 2.98 ± 1.2 and 5.05 ± 0.35 respectively while complex 3 was inactive. [ABSTRACT FROM AUTHOR]

Abstract: 6-Nitrobenzimidazole derivatives (1–30) synthesized and their phosphodiesterase inhibitory activities determined. Out of thirty tested compounds, ten showed a varying degrees of phosphodiesterase inhibition with IC50 values between 1.5±0.043 and 294.0±16.7μM. Compounds 30 (IC50 =1.5±0.043μM), 1 (IC50 =2.4±0.049μM), 11 (IC50 =5.7±0.113μM), 13 (IC50 =6.4±0.148μM), 14 (IC50 =10.5±0.51 μM), 9 (IC50 =11.49±0.08μM), 3 (IC50 =63.1±1.48μM), 10 (IC50 =120.0±4.47μM), and 6 (IC50 =153.2±5.6μM) showed excellent phosphodiesterase inhibitory activity, much superior to the standard EDTA (IC50 =274±0.007μM), and thus are potential molecules for the development of a new class of phosphodiesterase inhibitors. A structure–activity relationship is evaluated. All compounds are characterized by spectroscopic parameters. [Copyright &y& Elsevier]

• Synthesis of high surface area AgNPs. • Low band gap determination from DRS spectrum. • Elemental analysis by XPS and TGA shows the stable nature of AgNPs. • BET showing high surface area of the catalyst. • Removal of pathogenic bacteria and fungi as well removal of persistent organic pollutants. In this study the production of high surface area silver nanoparticles (AgNPs) are reported from the Dodonaea viscosa plant species under controlled condition. The reaction was completed at 40 °C within 5 h and the product was characterized by several advanced techniques such as PXRD, FTIR, TGA, FESEM, XPS, DRS, BET, and UV–Vis. The prepared AgNPs were also evaluated for antimicrobial activities against pathogenic bacteria and fungi such as multi-drug resistant Staphylococcus aureus (MRSA) and Candida albican at a minimum inhibitory concentration (1 μg/mL) with 9 mL of liquid medium (Nutrient Broth). AgNPs were also found to speed up the reduction of organic pollutants such as 2-nitrophenol (2-NP), 4-nitrophenol (4-NP) and azo dyes included Methyl orange (MO), Congo red (CR) and Rhodamine B (RB) which causes pollution. The highest surface area is found for Ag-25 (7.38 m2/g) as compared to others NPs might be the highest catalytic potential of Ag-25. [ABSTRACT FROM AUTHOR]

Two novel heterogeneous nanoparticles (NPs) composed of Al–Co and Al–Zn were successfully synthesized by co-precipitation route. The as prepared samples were investigated through XRD, TGA, DRS, FTIR, XPS, BET, and SEM. XRD patterns showed well crystallinity and phase purity for the synthesized samples. SEM micrographs presented small size, irregular grains with some agglomeration for both the NPs. Al–Co and Al–Zn displayed an effective band gap ~2.75, 2.50eV and BET surface area ~166.52 m2/g, 27.22 m2/g respectively. The catalytic yield (%) recorded for both the NPs against widely used toxic industrial dyes such as methylene blue (MB), methyl orange (MO), crystal violet (CV), and acridine orange (AO) was much higher (>90%), whereas for rhodamine B (RB) it was only 47 and 65% with Al–Co and Al–Zn respectively. The frequency and temperature related conductance, dielectric behaviour and tangent loss was also analyzed for the fabricated NPs. Polarized induction and Koop's model of dielectrics were followed by both the samples. Extensive characterization and investigation, categorized the prepared NPs as promising candidates in photocatalytic elimination of organic pollutants from industrial effluents as well as best suited for opto and microelectronics. Image 1 • Al–Co and Al–Zn nanoparticles. • Toxic dyes Photo-degradation. • Induced polarization model. • Koop's dielectric behaviour. [ABSTRACT FROM AUTHOR]

This study concentrates on biosynthesis of Silver Nanoparticles (AgNPs) from stem extract of Acacia nilotica (A. nilotica). The reaction was completed at a temperature ~40–45 °C and time duration of 5 h. AgNPs were thoroughly investigated via advanced characterization techniques such as UV–Vis spectrophotometry (UV–Vis), Fourier Transform Infrared spectroscopy (FTIR), X-ray Diffractometry (XRD), Field Emission Scanning Electron Microscopy (FESEM), High Resolution Transmission Electron Microscopy (HRTEM), X-ray Photoelectron Spectroscopy (XPS), Thermo Gravimetric Analysis (TGA), Diffuse Reflectance Spectroscopy (DRS), Brunner-Emmett-Teller (BET), Dynamic Light Scattering (DLS), and Zeta potential analysis. AgNPs with average size below 50 nm were revealed by all the measuring techniques. Maximum surface area ~5.69 m2/g was reported for the as synthesized NPs with total pore volume ~0.0191 mL/g and average pore size ~1.13 nm. Physical properties such as size and shape have changed the surface plasmon resonance peak in UV–visible spectrum. Antimicrobial activity was reported due to denaturation of microbial ribosome's sulphur and phosphorus bond by silver ions against bacterium Methicillin Resistant Staphylococcus aureus (MRSA) and fungus Candida Albican (CA). Furthermore, AgNPs degraded toxic pollutants such as 4-nitrophenol (4-NP), 2-nitrophenol (2-NP) and various hazardous dyes such as Congo Red (CR), Methylene Blue (MB) and Methyl Orange (MO) up to 95%. The present work provided low cost, green and an effective way for synthesis of AgNPs which were utilized as potential antimicrobial agents as well as effective catalyst for detoxification of various pollutants and dyes. Unlabelled Image • Biosynthesis of AgNPs • Particle size below 50 nm with better dispersion • Degradation of toxic pollutants and hazardous dyes • Removal of pathogenic bacteria and fungi [ABSTRACT FROM AUTHOR]

The high operating temperature for Solid Oxide Fuel Cells (SOFCs) is one of the major obstacles in the advancement and marketing of the fuel cell technology. Mixed metal oxides Cu 0.5 Sr 0.5 (CS) and La 0.2 doped Cu 0.4 Sr 0.4 (LCS) nanocomposites, fabricated through a mild and cost effective pechini method were used as an efficient remedy in this context. The nanocomposites were evaluated for phase purity and structural analysis through X-Ray Diffractometer (XRD) and Scanning Electron Microscope (SEM). Particle size calculated was ~37.21 nm (for CS) and 62.43 nm (for LCS) via XRD, while SEM revealed the size ranged from (43–72) nm. Performance of the symmetrical triple layered cells was tested in the temperature range of 500–600 °C with H 2 fuel. LCS nanocomposites exhibited higher electrical conductivity ~4.70 S/cm and greater power density ~782 mW/cm2 as compared to CS nanocomposites for which the electrical conductivity and power density were achieved as 4.40 S/cm and 725 mW/cm2 respectively. The activation energy for CS and LCS were found to be 0.23 and 0.26eV respectively. The reliable and enhanced power densities make the synthesized nanocomposites as potential candidates for low temperature SOFCs as anode and cathode. Image 1 • Mixed metal oxides nanocomposites. • Symmetrical Solid Oxide Fuel Cells (SOFCs). • Low working temperature. • Enhanced power density. [ABSTRACT FROM AUTHOR]

• Ag-Fe and Al-Fe nanoparticles. • Super-paramagnetic behavior. • Photo-catalytic H-evolution. Two novel bi-metallic Ag-Fe (SF) and Al-Fe (AF) nanoparticles (NPs) were synthesized by co-precipitation method. Advanced characterization techniques such as XRD, FTIR, TGA, DRS, BET, Zetasizer, XPS, and SEM were utilized in order to investigate the microstructure and morphology of as synthesized NPs. Average crystallite size calculated was ~23.88 nm (SF-NPs) and 24.41 nm (AF-NPs) via XRD measurement whereas, SEM indicated the size ranged from (45–83) nm. Super paramagnetic behaviour with saturation magnetization (Ms) of 128 and 52 emu/g was confirmed for SF and AF-NPs respectively. SF and AF-NPs showed a better H-Evolution (HE) ability in presence of ethanol and methanol as sacrificial agent as compared to pure samples. Furthermore, SF and AF-NPs showed 71, 83% and 92, 86% photocatalytic degradation for MB and MG dyes under solar light irradiation. The better performance with low cost synthesis and trivial toxicity ensured the importance of SF and AF-NPs in various practical applications at industrial level. [ABSTRACT FROM AUTHOR]

The efficient performance of Solid Oxide Fuel Cell (SOFC) by utilizing safe and cost effective hydrocarbon fuels at low temperature is really a challenging task due to C –H activation and sluggish oxidation/reduction kinetics. In this study a novel [Sr 0.4 La 0.6 (Fe 0.75 Ti 0.25) 0.6 Ni 0.4 O 3-δ ] (SLFTNO) nanocomposite was synthesized via solid state reaction route and was evaluated electrochemically in presence of multifuels such as hydrogen, ammonia, methane and ethanol. Phase purity and structural analysis was carried out through X-Ray Diffractometer (XRD), X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscope (SEM) and Transmission Electron Microscope (TEM). The average crystallite size calculated was ranged from 60-100 nm. The electrical conductivity and power density was measured between (89–226) S/cm and (147–318) mW/cm2 respectively among different fuels. This study indicated the synthesized SLFTNO nanocomposite as stable and efficient multifuels candidate for SOFCs. Image 1 [ABSTRACT FROM AUTHOR]

Different films comprising pure chitosan (CS) and chitosan coated sodium zeolites composites films designated as CSZ1, CSZ2, CSZ3 and CSZ4 respectively are presented here for the sequestration of MO dye. The as-synthesized films were characterized by using FSESM, XPS XRD, and TGA analysis. The sequestration of methyl orange dye (MO) was studied under various adsorption parameters i.e. pH effect, reaction temperature, catalytic dosage, interaction period, and original dye concentration in batch experiments. The adsorption power of MO dye sequestration in the presence of CSZ3 was 287 mg g−1 higher than the fine CS (201 mg g−1), and lowest for CSZ4 (173 mg g−1). The experimental data is fitted in the pseudo-second order of chemical kinetics. The Freundlich and Langmuir adsorption models were used on behalf of the analysis of experimental data that revealed multilayered adsorption of MO dye. Kinetics, equilibrium and thermodynamic process were discussed in detailed, suggesting the endothermic and spontaneous process of the adsorption of MO dye on the exterior of films. The present work is general for the MO adsorption, however, it can be applied on large scale applications and can be easily adjustable in the water purification assemblies. Unlabelled Image • Synthesis of CS coated sodium zeolite films • Loading of different weight of sodium zeolite to CS film • Application in the adsorption of MO dye • Kinetics and thermodynamics studies [ABSTRACT FROM AUTHOR]

In the present work, Ag–Ni and Al–Ni nanoparticles (NPs) were synthesized via co-precipitation method and their structural, resistive response of humidity and photocatalytic degradation properties evaluated. The as prepared NPs were characterized by XRD, FTIR, TGA, DRS, BET, XPS, SEM and TEM. XRD patterns indicated well defined peaks for Ag, Al and Ni elements. SEM and TEM micrographs displayed nano size heterogeneous microstructures both for Ag–Ni and Al–Ni NPs along with some agglomeration. The average particle size calculated by XRD, SEM and TEM was ranged from 42 to 95 nm. FTIR and XPS investigated about various functional groups and elemental contents within the synthesized samples. TGA showed total weight loss of 14.93 and 39.29% whereas, surface area, pore volume and pore size were 18.63 m2/g, 0.2846 mL/g, 1.3277 nm and 8.52 m2/g, 0.0556 mL/g, 1.3678 nm for Ag–Ni and Al–Ni NPs respectively. Low band gap energies ~1.30 (for Ag–Ni) and 1.51eV (for Al–Ni) were calculated via DRS. Resistance was decreased from (879–240MΩ for Ag–Ni and 745 to 169MΩ for Al–Ni NPs) with increased humidity level (from 10 to 95%) due to surface adsorption of water by fabricated samples. Response time ~60s, 59s and recovery time ~39s, 20s with low hysteresis was measured for Ag–Ni and Al–Ni NPs respectively. Furthermore, photocatalytic degradation ability of the synthesized samples was also investigated against Methyl Orange (MO) dye. Ag–Ni and Al–Ni NPs showed 91 and 75% degradation during total time of 80 and 120 min respectively. Degradation ability of the samples was also evaluated for various factors such as catalyst loading, pH and different scavengers. Fast response/recovery time, low hysteresis, better catalysis and excellent stability indicated for both the samples categorize them well suited for resistive humidity sensing and photocatalytic degradation of MO dye from industrial effluents. Image 101298 • Ag–Ni & Al–Ni NPs. • Humidity/MO degradation. • Low hysteresis. • Recyclability. [ABSTRACT FROM AUTHOR]

Abstract Spectroscopic studies-based on 1D (1H NMR, 13C NMR), 2D-NMR (COSY, HMBC, HSQC), UV–visible, FTIR techniques and quantum chemical studies established on the density functional theory (DFT) were carried out for the natural withanolide glycosides, isolated from Withania Coagulans Dunal. The new glycoside withanolide named as (20R,22R)-14α,17,20β,27-trihydroxy-1-oxowitha-5,24-dienolide-27β-(O-β- d -glucopyranoside) (1), and a known withanolide (20R,22R)-14α-20β,27-trihydroxy-1-oxowitha-5,24-dienolide-3β-(O-β- d -glucopyranoside) (2) are reported here from W. coagulans. The molecular mass of these compounds were confirmed through Fast Atom Bombardment Mass Spectrometry (FAB-MS). Geometric and spectroscopic detailed were obtained from DFT calculations. 1H and 13C NMR theoretical values were found a little higher than the experimental values, but the trend in the chemical shift correlates well with the experimental values. The RMSD values of 1H and 13C NMR of 1 and 2 were 0.4 and 0.38, and 4.94 and 5.02 respectively. The calculated band gap was found 4.93 and 5.00 eV for 1 and 2 respectively which indicated the stable nature of these compounds towards redox reactions. Graphical abstract Image 1 Highlights • Isolation of a new and known withanolide glycosides from withania coagulans. • IR, UV–vis. 1D- and 2D- NMR data of the isolated compounds. • Quantum chemical calculation based on DFT studies. • DFT study proposes high resistivity towards redox reaction. • Similar location in both compounds of HOMO and LUMO with high band gap. [ABSTRACT FROM AUTHOR]

In the present study, Ce based catalysts were synthesized for the degradation of acridine orange (AO). The Ce-Sr and Ce-Cd oxides were synthesized through sol-gel method and applied for the degradation of acridine orange dye (AO) under visible light influence for environmental remediation. 0.03 mM AO was prepared and 1 g/L of the Ce-Cd and Ce-Sr oxides were applied for degradation of AO. The structure and morphology of the synthesized materials were examined through field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), energy-dispersive spectroscopy (EDS), fourier transform infrared spectroscopy (FT-IR) and the HOMO and LUMO energy differences were determined through diffuse reflectance spectroscopy (DRS). Both the catalysts were grown in sheet morphology; and the average size of each sheet in Ce-Cd oxide is approximately equal to 790 nm while its average particle size is approximately equal to 20–25 nm, but Ce-Sr oxide average sheet size and particle size were smaller than Ce-Cd oxide. The band gap 2.65 and 2.7 eV for a Ce-Sr and Ce-Cd oxides signifies the high catalytic performance under visible light. The photocatalytic performances of Ce-Cd and Ce-Sr were evaluated against AO dye which resulted 90.2 and 86.6% degradation in 3 h under visible light. These studies showed the high efficiency of Ce based catalysts for environmental remediation. [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesis of p-p isotype heterojunction CuO-NiO nanocomposite. • In-depth characterization of the synthesized nanocomposite. • Solar light assisted degradation of cefixime antibiotic. • Scavenging effect on the cefixime degradation. Organic pollutants have emerged as a threat to the environment due to their excessive usage and subsequent continuous release into the aquatic environment. This concern has necessitated the search for effective technologies to deal with the continuous accumulation of active pharmaceutical ingredients (APIs) as pollutants in the environment. Advanced oxidation processes (AOPs), including photocatalysis, have gained special attention for the removal of APIs and other organic pollutants in water. In order to achieve this goal, CuO-NiO nanocomposite photocatalyst with a p-p isotype heterojunction was prepared using the low-cost and facile method of co-precipitation. The composite catalyst was characterized by field emission scanning electron microscopy (FESEM), Thermogravimetric Analysis (TGA), X-ray diffraction (XRD), and Brunauer-Emmett-Teller (BET) which indicated the crystalline and mesoporous structure of the nanocomposite. The photocatalytic activity of the nanocomposite catalyst was studied using the degradation of cefixime as the model antibiotic under sunlight. The nanocomposite photocatalyst demonstrated effective catalytic activity against the degradation (90 %) of cefixime following first-order kinetics with a rate constant (k) of 7.4 × 10−3 min−1. The degradation of cefixime was greatly enhanced with catalyst dosage and at lower pH. A radical trapping study indicated hydroxyl radicals and superoxide radicals are responsible for degradation reactions. [ABSTRACT FROM AUTHOR]