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The present study was envisaged to employ the green synthesis and characterization of silver nanoparticles (AgNPs) using the potential probiotic strain Lactobacillus acidophilus, to assess its antibacterial as well as antibiofilm activity against multi-drug-resistant enteroaggregative Escherichia coli (MDR-EAEC) strains and to investigate their antioxidant activity. In this study, AgNPs were successfully synthesized through an eco-friendly protocol, which was then confirmed by its X-ray diffraction (XRD) pattern. A weight loss of 15% up to 182 °C with a narrow exothermic peak between 170 °C and 205 °C was observed in thermogravimetric analysis-differential thermal analysis (TGA-DTA), while aggregated nanoclusters were observed in scanning electron microscopy (SEM). Moreover, the transmission electron microscopy (TEM) imaging of AgNPs revealed a spherical morphology and crystalline nature with an optimum size ranging from 10 to 20 nm. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values of green synthesized AgNPs against the MDR-EAEC strains were found to be 7.80 mg/L and 15.60 mg/L, respectively. In vitro time-kill kinetic assay revealed a complete elimination of the MDR-EAEC strains after 180 min on co-incubation with the AgNPs. Moreover, the green synthesized AgNPs were found safe by in vitro haemolytic assay. Besides, the green synthesized AgNPs exhibited significant biofilm inhibition (P < 0.001) formed by MDR-EAEC strains. Additionally, a concentration-dependent antioxidant activity was observed in 2,2'-azinobis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) assays. Hence, this study demonstrated potential antibacterial as well as antibiofilm activity of green synthesized AgNPs against MDR-EAEC strains with antioxidant properties and warrants further in-depth studies to explore it as an effective antimicrobial agent against MDR infections., (© 2022. The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature.)

Despite the photocatalytic organic pollutant degradation using ZnO started in 1910-1911, many challenges are still ahead, and several critical issues have to be addressed. Large band gap, and short life-time of photogenerated electrons and holes are critical issues negatively affect the photocatalytic activity of ZnO. Various approaches have been introduced to overcome these issues including intrinsic doping, extrinsic doping, and heterostructure. This review introduces unique and deep insights into tuning of the photocatalytic activity of ZnO. It starts by description of how to tune the photocatalytic activity of pristine ZnO through tuning its morphology, surface area, exposed face, and intrinsic defects. Afterward, the review explains how the Z-scheme approach succeed to address the redox weakened issue of heterojunction approach. In general, this review provides a clear image that helps the researcher to tune the photocatalytic activity of pristine ZnO and its heterostructure., (© 2022 The Chemical Society of Japan & Wiley-VCH GmbH.)

In the present work, a highly efficient and excellent electrocatalyst material for bifunctional oxygen reduction/evolution reaction (ORR/OER) was synthesized using the microwave-assisted hydrothermal method. In brief, ultrafine hexagonal cerium oxide (CeO 2 ) nanoparticles were tailored on the layered surface of in situ nitrogen-doped graphene oxide (NGO) sheets. The nanocomposites exhibited a high anodic onset potential of 0.925 V vs. RHE for ORR activity and 1.2 V for OER activity with a very high current density in 0.5 M KOH. The influence of oxygen cluster on Ce 3+ /Ce 4+ ion decoration on outward/inward in situ nitrogen-coupled GO enhanced the physicochemical properties of composites and in turn increased electron transferability. The microwave-assisted hydrothermal coupling technique provides a higher density, active sites on CeO 2 @NGO composites, and oxygen deficiency structures in ultrafine Ce-O particles and boosts higher charge transferability in the composites. It is believed that the physical states of Ce-N- C, Ce-C=O, and a higher amount of oxygen participation with ceria increase the density of composites that in turn increases the efficiency. N-doped graphene oxide promotes high current conduction and rapid electron transferability while reducing the external transport resistance in oxygen electrocatalysis by sufficient mass transfer through in-built channels. This study may provide insights into the knowledge of Ce-enabled bifunctional activity to guide the design of a robust catalyst for electrochemical performance., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2022 Kashinath and Byrappa.)

Venom peptides have been evolving complex therapeutic interventions that potently and selectively modulate a range of targets such as ion channels, receptors, and signaling pathways of physiological processes making it potential therapeutic. Several venom peptides were deduced in vivo for clinical development targeting pain management, diabetes, cardiovascular diseases, antimicrobial activity. Several contributions have been detailed for a clear perspective for a better understanding of venomous animals, their venom, and their pharmacological effects. Here we unravel and summarize the recent advances in wide venom peptides across varieties of species for their therapeutics prospects., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2021 The Author(s).)

Polianthes tuberosa (Linn.) is traditionally considered an ornamental and medicinal plant worldwide. However, extensive studies on its phytochemical composition are very limited. Hence the present work aims to identify the total phytochemical ingredients present in different crude extracts of tuberosa. Phytochemical analysis has been carried out for differential cold solvent extracts of various parts of tuberosa such as petals, stamens, and ovary by gas chromatography coupled with mass spectrometry, ultra-performance liquid chromatography to quadrupole time-of-flight mass spectrometry, and evaporative light scattering detector analyzers for the identification of bioactive components. Among the various solvents used for the extraction, diethyl ether is found to be the most suitable and efficient solvent, as its total differential recovery from the crude extract is about 0.24% as compared to 0.04% obtained by using n-hexane or petroleum ether. Numerous phytochemicals have been identified by the chromatography and MS techniques, which demonstrate the presence of essential fatty acids along with other pharmacological importance phytoconstituents. Identification of additional phytochemicals present in the crude extract of tuberosa flower further enhances its biological and pharmacological significance. The present work lays a foundation for further research and development of phytoconstituents of the tuberosa flower., (© 2021 Wiley-VCH GmbH.)

Prostate cancer is a multifactorial disease that mainly occurs due to the accumulation of somatic, genetic, and epigenetic changes, resulting in the inactivation of tumor-suppressor genes and activation of oncogenes. Mutations in genes, specifically those that control cell growth and division or the repair of damaged DNA, make the cells grow and divide uncontrollably to form a tumor. The risk of developing prostate cancer depends upon the gene that has undergone the mutation. Identifying such genetic risk factors for prostate cancer poses a challenge for the researchers. Besides genetic mutations, many epigenetic alterations, including DNA methylation, histone modifications (methylation, acetylation, ubiquitylation, sumoylation, and phosphorylation) nucleosomal remodeling, and chromosomal looping, have significantly contributed to the onset of prostate cancer as well as the prognosis, diagnosis, and treatment of prostate cancer. Chronic inflammation also plays a major role in the onset and progression of human cancer, via modifications in the tumor microenvironment by initiating epithelialmesenchymal transition and remodeling the extracellular matrix. In this article, the authors present a brief history of the mechanisms and potential links between the genetic aberrations, epigenetic changes, inflammation, and inflammasomes that are known to contribute to the prognosis of prostate cancer. Furthermore, the authors examine and discuss the clinical potential of prostate carcinogenesis in relation to epigenetics and inflammation for its diagnosis and treatment.., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

Thymus vulgaris leaf extract was used as a stabilizer and reducing agent in the green, facile, and biomimetic hydrothermal decomposition reaction for the fabrication of zinc oxide-silver nanocomposites (ZnO-Ag NCs). The nanocomposite (NC) as an active agent was integrated into poly(3-hydroxybutyrate- co -3-hydroxyvalerate)-chitosan (PHBV-CS) in a highly precise ratio of solvent mixture by ultrasonication without the aid of any coupling agent to fabricate the novel degradable biopolymer (BP) nanocomposite via solvent casting method to enhance the mechanical properties and antimicrobial activity and with the lowest immigration rate to improve the shelf life of poultry items. The ZnO-Ag NCs as a nanoactive agent in the food packaging preserved food safety by controlling its spoilage. The morphology, physical, mechanical, barrier, antibacterial, and migration properties of the nanocrystals were assessed via several characterization methods to show the enhancement of the prepared polymer in various aspects of properties. The NCs BP were used for potential sensory evaluation of chicken breast refrigerated over a period of 15 days. The data demonstrated that these bio-based nanocomposites show great antimicrobial activity that offers perspectives for the replacement of traditional petrochemical-based polymers currently used for food packaging of poultry items.

Synthesis of metal oxide nanostructures through combustion routes is a promising technique owing to its simplicity, rapidity, scalability, and cost-effectiveness. Herein, a sunlight-driven combustion approach is developed to synthesize pristine metal oxides and their heterostructures. Sunlight, a sustainable energy source, is used not only to initiate the combustion reaction but also to create oxygen vacancies on the metal oxide surface. ZnO nanostructures are successfully synthesized using this novel approach, and the products exhibit higher photocatalytic activity in the decomposition of methyl orange (MO) than ZnO nanostructures synthesized by the conventional methods. The higher photocatalytic activity is due to the narrower band gap, higher porosity, smaller and more uniform particle size, surface oxygen vacancies, as well as the enhanced exciton dissociation efficiency induced by the sunlight. Porous Fe 3 O 4 nanostructures are also prepared using this environmentally benign method. Surprisingly, few-layer Bi 2 O 3 nanosheets are successfully obtained using the sunlight-driven combustion approach. Moreover, the approach developed here is used to synthesize Bi 2 O 3 /ZnO heterostructure exhibiting a structure of few-layer Bi 2 O 3 nanosheets decorated with ZnO nanoparticles. Bi 2 O 3 nanosheets and Bi 2 O 3 /ZnO heterostructures synthesized by sunlight-driven combustion route exhibit higher photocatalytic activity than their counterparts synthesized by the conventional solution combustion method. This work illuminates a potential cost-effective method to synthesize defective metal oxide nanostructures at scale., Competing Interests: The authors declare no competing financial interest., (Copyright © 2019 American Chemical Society.)

A simple, eco-friendly, and biomimetic approach using Thymus vulgaris (T. vulgaris) leaf extract was developed for the formation of ZnO-Ag nanocomposites (NCs) without employing any stabilizer and a chemical surfactant. T. vulgaris leaf extract was used for the first time, in a novel approach, for green fabrication of ZnO-Ag NCs as a size based reducing agent via the hydrothermal method in a single step. Presence of phenols in T. vulgaris leaf extract has served as both reducing and capping agents that play a critical role in the production of ZnO-Ag NCs. The effect of silver nitrate concentration in the formation of ZnO-Ag NCs was studied. The in-vitro Antimicrobial activity of NCs displayed high antimicrobial potency on selective gram negative and positive foodborne pathogens. Antioxidant activity of ZnO-Ag NCs was evaluated via (2,2-diphenyl-1-picrylhydrazyl) DPPH method. Photocatalytic performance of ZnO-Ag NCs was appraised by degradation of phenol under natural sunlight, which exhibited efficient photocatalytic activity on phenol. Cytotoxicity of the NCs was evaluated using the haemolysis assay. Results of this study reveal that T. vulgaris leaf extract, containing phytochemicals, possess reducing property for ZnO-Ag NCs fabrication and the obtained ZnO-Ag NCs could be employed effectively for biological applications in food science. Therefore, the present study offers a promising way to achieve high-efficiency photocatalysis based on the hybrid structure of semiconductor/metal.

Carbon nanotubes (CNTs) possess outstanding properties that could be useful in several technological, drug delivery, and diagnostic applications. However, their unique physical and chemical properties are hindered due to their poor solubility. This article review's the different ways and means of solubility enhancement of single-wall carbon nanotubes (SWNTs). The advantages of SWNTs over the multi-walled carbon nanotubes (MWNTs) and the method of non-covalent modification for solubility enhancement has been the key interest in this review. The review also highlights a few examples of dispersant design. The review includes some interesting utility of SWNTs being wrapped with polymer especially in biological media that could mediate proper drug delivery to target cells. Further, the use of wrapped SWNTs with phospholipids, nucleic acid, and amphiphillic polymers as biosensors is of research interest. The review aims at summarizing the developments relating to wrapped SWNTs to generate further research prospects in healthcare.

A facile fabrication and processing of cerium oxide-graphene oxide (CeO 2 -GO) hybrid nanocomposites without the use of any surfactant or any organic solvents using chemical method and treatment with microwave irradiation technique are reported. In-situ hexagonal nano cerium oxide particles embedded on the layered surface of GO sheets were investigated for the photodegradation of dyes, removal of chromium Cr(VI) ions and against antibacterial studies. The results imply that hybrid nanocomposites shows enhanced 5-folds of photocatalytic activities in UV (ultraviolet) light irradiation and exhibited rapid efficiency in the elimination of chromium ion better than the pure GO and CeO 2 , which are inhibited by competent photosensitive electron inoculation and controlling the electron-hole recombination. The synergetic effect of CeO 2 -GO composites played a vital role in showing better results against model bacterium than GO and CeO 2 are due to higher physical interaction endorsed to the stress of membranes acute by piercing edges, large surface area, and higher adsorptive conditions of graphene oxide sheets tailored with ceria particles. The amount of charge transferred at the interface increases with the concentration of O atoms, demonstrating the interaction between CeO 2 and GO is much stronger than CeO 2 and GO are due to the decrease of the average equilibrium distance between the interfaces. The CeO 2 -GO interface staggered band alignments existing between the CeO 2 surfaces and GO which shows an excellent synergism. The structure and morphology of composites were tested by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman, X-ray photoelectron spectroscopy (XPS), and high-resolution transmission electron microscope (HR-TEM)., (Copyright © 2018. Published by Elsevier B.V.)

Limited light absorption, inefficient electron-hole separation, and unsuitable positions of conduction band bottom and/or valence band top are three major critical issues associated with high-efficiency photocatalytic water treatment. An attempt has been carried out here to address these issues through the synthesis of direct Z -scheme Cs 2 O-Bi 2 O 3 -ZnO heterostructures via a facile, fast, and economic method: solution combustions synthesis. The photocatalytic performances are examined by the 4-chlorophenol degradation test under simulated sunlight irradiation. UV-vis diffuse reflectance spectroscopy analysis, electrochemical impedance test, and the observed transient photocurrent responses prove not only the significant role of Cs 2 O in extending light absorption to visible and near-infrared regions but also its involvement in charge carrier separation. Radical-trapping experiments verify the direct Z -scheme approach followed by the charge carriers in heterostructured Cs 2 O-Bi 2 O 3 -ZnO photocatalysts. The Z -scheme charge carrier pathway induced by the presence of Cs 2 O has emerged as the reason behind the efficient charge carrier separation and high photocatalytic activity., Competing Interests: The authors declare no competing financial interest.

In this work, an environmentally benign superabsorbent hydrogel based on banana pseudo-stem has been synthesized by free radical graft co-polymerization of sodium acrylate (NaAc) and acrylamide (AM) on to modified banana pseudo-stem cellulose backbone using ammonium persulfate (APS) and N,N-methylene-bis-acrylamide (MBA) as initiator and crosslinker respectively.The optimum condition for initiator, monomers and crosslinker concentrations was found to be 0.0032molL -1 , 0.013molL -1 and 0.00048molL -1 respectively. Structural confirmation of the hydrogel prepared is performed by FT-IR spectroscopy whereas the morphology and thermal properties assessments were performed by SEM and TGA analysis respectively. Swelling behavior in solutions with different pH (2, 4, 7, 9 and 12) and contact time (5-750min) indicated 323.54gg -1 in pH 7 solutions for 570min. The optimized hydrogel was used as adsorbent for methylene blue (MB) and methyl orange (MO) with a maximum adsorption of 333.3 and 124 mgg -1 respectively. Kinetics and Isotherm adsorption studies revealed pseudo second-order and Freundlich isotherm as befitting models., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Background: Facile, environmental friendly synthesis of metal oxide nanoparticles is of paramount importance when its biological applications are considered., Objective: Current study reports phyto-fabrication of Zinc oxide nanoparticles using aqueous extract of Piper betel leaves as stabilizing and capping agent using co-precipitation method., Results: P betel synthesized ZnO nanoparticles (PZnO) was characterized using Powder X-ray diffraction, UV-Visible spectroscopy, scanning electron microscopy and dynamic light scattering. PXRD pattern demonstrated hexagonal wurtzite structure with preferred orientation (100) plane confirmed by JCPDS file 36-1451. UV- Vis spectroscopy showed peak at 370 nm due to band edge of semiconductor, the PZnO. The average particle size determined by DLS measurement was 69 nm and morphologically the particles were short rod shaped and agglomerated as demonstrated by SEM images. Antibacterial activity of PZnO against dental pathogens namely Streptococcus mutans and Lactobacillus acidphillus was performed using well-diffusion method and antioxidant activity against 2, 2 diphenyl 1 picrylhydrazyl (DPPH) free radicals and were compared with ZnO used in clinical dentistry (DZnO). PZnO showed higher antioxidant activity of ~70% at 200 µg/mL with consistent activity at lower aliquots. PZnO showed higher antimicrobial activity than DZnO against both tested microbes and also exhibited inhibitory effects in concentration as low as 3.25 µg/mL. Cytotoxicity study using Balb 3T3 mouse fibroblast cell lines showed <40% cellular growth inhibition by both PZnO and DZnO, indicating their benignity towards selected cell lines., Conclusion: Phyto-fabricated facile PZnO nanoparticles having demonstrable antibacterial and antioxidant activity can be considered for use in clinical dentistry after further clinical trials., (Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.net.)

A series of 3-Benzylchroman-4-ones were synthesized and screened for anticancer activity by MTT assay. The compounds were evaluated against two cancerous cell lines BT549 (human breast carcinoma), HeLa (human cervical carcinoma), and one noncancerous cell line vero (normal kidney epithelial cells). 3b was found to be the most active molecule against BT549 cells (IC 50  = 20.1 µM) and 3h against HeLa cells (IC 50  = 20.45 µM). 3b also exhibited moderate activity against HeLa cells (IC 50  = 42.8 µM). The molecular structures of 3h and 3i were solved by single crystal X-ray crystallographic technique. Additionally, the molecular docking studies between the tumour suppressor protein p53 with the lead compound 3h, which exhibited better anticancer activity against HeLa cells was examined., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

The N , N- di-methyl-ethylamminium unit in N , N -dimethyl-[2-(2,2-diphen-yl)-2-prop-2-ynyloxyacet-oxy]ethyl-amine, C 21 H 23 NO 3 (I), is disordered over two sets of atomic sites having occupancies of 0.880 (3) and 0. 120 (3), but there are no direction-specific inter-actions between the mol-ecules of (I). The cation in N , N -dimethyl-[2-(2,2-diphen-yl)-2-prop-2-ynyloxyacet-oxy]ethyl-ammonium 2,4,6-tri-nitro-phenolate (picrate), C 21 H 24 NO 3 + ·C 6 H 2 N 3 O 7 - (II), shows a similar type of disorder, with occupancies of 0.654 (11) and 0.346 (11), although the overall conformation of the cation in (II) is different from that in the neutral (I). The component ions are are linked by an almost planar three-centre N-H⋯(O) 2 hydrogen bond, and the ion pairs are further linked by a combination of three C-H⋯O hydrogen bonds to form sheets. Comparisons are made with some related structures.

Laser-induced crystallization is emerging as a promising technique to crystallize biomolecules like amino acids and proteins. The use of external materials as nucleants and novel seeding methods open new paths for protein crystallization. We report here the results of experiments that explore the effect of nucleants on laser-based crystallization of microlitre droplets of small molecules, amino acids, and proteins. The role of parameters like solute concentration, droplet volume, type and size of the nucleant, and laser power, are systematically investigated. In addition to crystallization of standard molecules like NaCl, KCl, and glycine, we demonstrate the crystallization of negatively (l-histidine), and positively (l-aspartic acid) charged amino acids and lysozyme protein. Single crystal X-ray diffraction and Raman spectroscopy studies unequivocally indicate that the nucleants do not alter the molecular structure of glycine, hydrogen bonding patterns, and packing. Localized vaporization of the solvent near the nucleant due to photothermal heating has enabled us to achieve rapid crystallization - within 3 s - at laser intensities of 0.1 MW cm -2 , significantly lower than those reported earlier, with both saturated and unsaturated solutions. The outcome of the current experiments may be of utility in tackling various crystallization problems during the formation of crystals large enough to perform X-ray crystallography.

In the present study, the spectroscopic characterization of a new series of substituted thiazole linked pyrazoline scaffolds 4a-l was performed. The formation of 4a-l from the intermediate 3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrazole-1-carbothioamide 2 and substituted 2-bromo-1-phenylethanone 3a-l was evidenced through the changes in FTIR, 1 H NMR, 13 C NMR, LCMS data. The X-ray diffraction studies revealed that compound 2 and 4g crystallized in monoclinic crystal system with P2 1 /n space group. Compound 4j crystallized in triclinic system, P1̄ space group with Z=4. The percentage of intermolecular contacts and distribution of electrostatic potential of molecular crystal structures was resolved by Hirshfeld surface analysis with 2D finger plots and electrostatic potential map. The newly synthesized derivatives were screened for their in vitro antioxidant and antimicrobial activity. The single crystal studies revealed that, for compounds 2, 4g and 4j the isopropyl phenyl ring is positioned at near right angle with the other rings. Due to the lack of planarity of bulkier group substituted to phenyl ring (ring B), all the synthesized molecules showed weak to moderate radical scavenging capacity owing to the destabilization of the radical formed during oxidation. Also, on performing molecular docking studies to explore the interactions of ligand with the target pyrimidine nucleoside hydrolase YbeK with bound ribose complex (PNH, PDB ID-3GHW), disclosed that active compounds emerged for in vitro studies also bound to PNH more efficiently. The compounds with polar group substitution interacted through hydrogen bonding while other molecules with non-covalent interactions., (Copyright © 2016 Elsevier B.V. All rights reserved.)

In the title compound, C17H16N4OS2, the triazole and methyl-thio-benzyl-idene rings are nearly coplanar, making a dihedral angle of 6.52 (12)°. An intra-molecular C-H⋯S hydrogen bond forms an S(6) ring motif. The hy-droxy-benzyl ring is almost normal to the triazole and methyl-thio-benzyl-idene rings, making dihedral angles of 78.56 (12) and 84.79 (11)°, respectively. In the crystal, mol-ecules are linked through O-H⋯N and N-H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked via C-H⋯N hydrogen bonds, forming a three-dimensional structure. In addition, a short π-π inter-action is observed [inter-centroid distance = 3.764 (3) Å], involving inversion-related methyl-thio-benzyl-idene rings.

The title compound, C10H9FN4S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluoro-benzene rings is 7.3 (3)° in mol-ecule A and 41.1 (3)° in mol-ecule B. Mol-ecule A features an intra-molecular C-H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N-H⋯S hydrogen bonds occur, generating R 2 (2)(8) loops. Weak π-π stacking contacts [centroid-centroid separation = 3.739 (6) Å] are also observed.

The title compound, C16H26NO2 (+)·C7H5O2 (-), is a benzoate salt of the painkiller Tramadol. The six-membered cyclo-hexane ring of the cation adopts a slightly distorted chair conformation and carries OH and 3-meth-oxy-phenyl substituents at the 2-position and a protonated methyl-aza-niumylmethyl group at the 3-position. In addition, a weak intra-molecular C-H⋯O hydrogen bond is observed in the cation. In the crystal, weak O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the components into chains along [010]. A C-H⋯π contact is also observed.

Hydrothermal fabrication of selectively doped (Ag(+)+Pd(3+)) advanced ZnO nanomaterial has been carried out under mild pressure temperature conditions (autogeneous; 150°C). Gluconic acid has been used as a surface modifier to effectively control the particle size and morphology of these ZnO nanoparticles. The experimental parameters were tuned to achieve optimum conditions for the synthesis of selectively doped ZnO nanomaterials with an experimental duration of 4 hr. These selectively doped ZnO nanoparticles were characterized using powder X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), UV-Vis spectroscopy and scanning electron microscopy (SEM). The solar driven photocatalytic studies have been carried out for organic dyes, i.e., Procion MX-5B dye, Cibacron Brilliant Yellow dye, Indigo Carmine dye, separately and all three mixed, by using gluconic acid modified selectively doped advanced ZnO nanomaterial. The influence of catalyst, its concentration and initial dye concentration resulted in the photocatalytic efficiency of 89% under daylight., (Copyright © 2015. Published by Elsevier B.V.)

Agricultural soils of selected regions of Southwestern Karnataka, Peninsular India, were subjected to systematic mineralogical characterization along with the study of soil physical properties. Physical properties such as soil texture and micro porosity were studied using particle size analyses and positron annihilation lifetime analysis (PALS) technique, respectively. The latter was used to analyze micro porosity of agricultural soil. Both major and minor minerals were identified and confirmed by some analytical techniques like thin section study, powder X-ray diffraction, X-ray fluorescence spectroscopy and Fourier transform infrared spectroscopy.

The asymmetric unit of the title compound, C9H7NO2S, contains two crystallographically independent mol-ecules (A and B). Both mol-ecules are almost planar [maximum deviations = 0.047 (1) and 0.090 (1) Å, respectively, for the S atoms] with the oxazole and thio-phene rings being inclined to one another by 2.65 (16)° in mol-ecule A and by 4.55 (15)° in mol-ecule B. In the crystal, the individual mol-ecules are linked via C-H⋯O hydrogen bonds, forming -A-B-A-B- chains along the [10-1] direction. The chains are linked via C-H⋯π and π-π inter-actions [inter-centroid distances = 3.767 (2) and 3.867 (2) Å] involving inversion-related oxazole and thio-phene rings in both mol-ecules, forming a three-dimensional structure.

In the cyclo-hexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thio-phene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the mol-ecule, there is an O-H⋯N hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains parallel to [100].

In the title compound, C22H19ClN2O3S, the dihedral angle between the mean planes of the thio-phene ring and the chloro-phenyl and hy-droxy-phenyl rings are 70.1 (1) and 40.2 (4)°, respectively. The benzene rings are twisted with respect to each other by 88.9 (3)°. The imine bond lies in an E conformation. Intra-molecular O-H⋯N and N-H⋯O hydrogen bonds each generate S(6) ring motifs. In the crystal, weak C-H⋯O inter-actions link the mol-ecules, forming chains along the c axis and zigzag chains along the b axis, generating sheets lying parallel to (100).

In the title compound, C22H19NO2S, the cyclo-hexene ring adopts a half-chair conformation. The dihedral angles between the plane of the thio-phene ring and those of its amide- and carbonyl-bonded benzene rings are 7.1 (1) and 59.0 (2)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, very weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.9009 (10) Å] are observed.

In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclo-hexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclo-hexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the 4-nitro-benzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitro-benzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C-H⋯O inter-actions consolidate mol-ecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011).

In the title compound, C19H18N4O4, the nitro-phenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C-N-C-C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an anti-periplanar conformation. In the crystal, N-H⋯O hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C-H⋯O inter-actions forming R 2 (2)(10) graph-set motifs, link the mol-ecules into chains along [100]. Additional weak C-H⋯O inter-actions involving the nitro-phenyl rings further link the mol-ecules along [001], also forming R 2 (2)(10) graph-set motifs, thereby generating (010) layers.

In the title compound, C23H20BrNO2S, disorder was modeled for the outer two C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.580 (11):0.420 (11). Both rings have a half-chair conformation. The dihedral angles between the mean plane of the thio-phene ring and the benzene and phenyl rings are 9.2 (2) and 66.1 (2)°, respectively. The benzene and phenyl rings are inclined to each other by 74.8 (8)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers.

In the title compound, C22H19NOS, the cyclo-hexene ring of the tetra-hydro-benzo-thio-phenyl ring system adopts a slightly distorted half-chair conformation and is twisted slightly [7.5 (8)° for the major disorder component] from the mean plane of the thio-phene ring. The dihedral angles between the mean planes of the thio-phene ring and the phenyl rings are 65.7 (3) and 8.3 (4)°. The phenyl rings are twisted with respect to each other by 73.8 (7)°. Disorder was modeled for four C atoms of the cyclo-hexene ring over two sets of sites with an occupancy ratio of 0.659 (2):0.341 (2). In the crystal, a single weak C-H⋯O inter-action links the mol-ecules into [001] chains.

The title compound, C24H20N2OS, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, in each of which the cyclo-hexene rings adopt half-chair conformations. The mean plane of the indole ring is twisted from those of the phenyl and thio-phene rings by 69.0 (7) and 8.3 (5)°, respectively, in mol-ecule A and by 65.4 (9) and 6.7 (5)°, respectively, in mol-ecule B. The dihedral angles between the mean planes of the phenyl and thio-phene rings are 63.0 (4) and 58.8 (9)° in mol-ecules A and B, respectively. In the crystal, N-H⋯O hydrogen bonds lead to the formation of an infinite chain along [101]. In addition, π-π stacking inter-actions are observed involving the thio-phene and pyrrole rings of the two mol-ecules, with a shortest inter-centroid distance of 3.468 (2) Å.

In the title compound, C22H19NO2S, the cyclo-hexene ring adopts a slightly distorted half-chair conformation. The dihedral angles between the mean planes of the thio-phene ring and the phenyl and 2-hy-droxy-phenyl rings are 70.4 (5) and 12.1 (9)°, respectively. The phenyl and 2-hy-droxy-phenyl rings are twisted with respect to one another by 81.0 (6)°. A short intra-molecular O-H⋯N hydrogen bond is observed. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into zigzag chains diagonally along [100] .

FT-IR and FT-Raman spectra of 1-(5,5-dioxido-10H-phenothiazin-10-yl)ethanone were recorded and analyzed. The vibrational wavenumbers were computed using B3LYP/6-31G∗ and SDD basis. Potential energy distribution of normal modes of vibrations was done using GAR2PED program. The HOMO and LUMO analysis is used to determine the charge transfer within the molecule. The stability of the molecule arising from hyper conjugative interaction and charge delocalization has been analyzed using NBO analysis. Molecular electrostatic potential was performed by the DFT method and infrared intensities and Raman activities are also reported. MEP shows that the negative potential sites are on oxygen atoms and the positive potential sites are around the nitrogen atoms. The geometrical parameters of the title compound (SDD) are in agreement with XRD crystal structure data. The calculated first hyperpolarizability is comparable with the reported values of similar derivatives and is an attractive object for future studies of nonlinear optics., (Copyright © 2013 Elsevier B.V. All rights reserved.)

In the cation of the title compound, C16H26NO2 (+)·C6HCl2O4 (-)·C4H8O2, the 1-hy-droxy-cyclo-hexyl ring adopts a slightly distorted chair conformation. The dihedral angle between the mean planes of the 1-hy-droxy-cyclo-hexyl and 4-hy-droxy-phenyl rings is 84.0 (8)°. In the anion, the hydroxyl H atom is twisted slightly out of the ring plane with a C-C-O-H torsion angle of -171.9°. Disorder was modeled for the methyl group of the acetate group in the solvate with an occupancy ratio of 0.583 (15): 0.417 (15). In the crystal, O-H⋯O hydrogen bonds are observed between cations and between cations and anions, while bifuricated N-H⋯(O,O) cation-anion hydrogen bonds are also present, forming chains along [010] and [100]. In addition weak cation-anion and cation-solvate C-H⋯O inter-actions occur.

This work deals with the non-biodegradable micro-pollutants degradation by supported photocatalyst based heterogeneous photocatalytic reaction. TiO2 based supported photocatalyst was prepared by the hydrothermal technique to improve the photocatalytic performance along with easy recovery of suspended photocatalyst from aqueous medium after photoreaction. TO2 deposited calcium alumino-silicate beads (CASB) supports were prepared under mild hydrothermal conditions (Temparature-200 degrees C, Duration-24 h). In the present study, industrial dyes such as Amaranth and Brilliant Yellow were used as model micro-pollutants in aqueous solution. A real time pesticide industrial effluent was tested for its photocatalytic removal of organic pollutants using TO2 deposited CASB supported photocatalytic composite as an effective photocatalyst. Photocatalytic degradation of micro-pollutants present in aqueous medium was carried out in a batch photoreactor, at atmospheric pressure and temperature (28 degrees C). The influence of different light sources, irradiation time, catalyst load and catalytic performance is discussed. The photocatalytic degradation of micro-pollutants in aqueous medium was evaluated by determination of COD and %T. Easy separation and recovery of suspended photocatalysts from aqueous solution is the major advantage of hydrothermally prepared supported photocatalytic composite.

Molybdenum-doped TiO2 organic-inorganic hybrid nanoparticles were synthesized under mild hydrothermal conditions by in situ surface modification using n-butylamine. This was carried out at 150 degrees C at autogeneous pressure over 18 h. n-Butylamine was selected as a surfactant since it produced nanoparticles of the desired size and shape. The products were characterized using powder X-ray diffraction, Fourier transform infrared spectrometry, dynamic light-scattering spectroscopy, UV-Vis spectroscopy and transmission electron microscopy. Chemical oxygen demand was estimated in order to determine the photodegradation efficiency of the molybdenum-doped TiO2 hybrid nanoparticles in the treatment of pharmaceutical effluents. It was found that molybdenum-doped TiO2 hybrid nanoparticles showed higher photocatalytic efficiency than untreated TiO2 nanoparticles.

Photocatalytic degradation of municipal wastewater was investigated using reagent grade TiO(2) and modified neodymium doped TiO(2) hybrid nanoparticles. For the first time, surface modification of Nd(3 +) doped TiO(2) hybrid nanoparticles were carried out with n-butylamine as surface modifier under mild hydrothermal conditions. The modified nanoparticles obtained were characterized by Powder XRD, FTIR, DLS, TEM, BET surface area, zeta potential and UV-Vis Spectroscopy. The characterization results indicated better morphology, particle size distribution and low agglomeration of the nanoparticles synthesized. It was found that photodegradation of wastewater using surface modified neodymium doped TiO(2) nanoparticles was more compared to pure TiO(2), which can be attributed to the doping and modification with n-butylamine.

The morphology and particle size of neodymium-doped ZnO hybrid nanoparticles were tailored through fabrication under mild hydrothermal conditions (T = 150-250 degrees C, P = autogeneous, t = 18 h) for the first time using two surface modifiers: caprylic acid and n-butylamine. Characterization of these nanoparticles was carried out using powder XRD, FTIR, SEM, zeta-potential analysis and UV-vis spectroscopy. The results revealed that modification of ZnO nanoparticles using neodymium as a dopant and caprylic acid or n-butylamine as a surfactant could change the optical and physical properties of the surface-modified neodymium-doped ZnO hybrid nanoparticles. The work proved the efficiency of caprylic acid and n-butylamine as suitable surfactants for surface modification of neodymium-doped ZnO hybrid nanoparticles.

The new 3,5-(substituted) pyrazoles and isoxazoles were prepared by reaction of (N'(1)E, N'(3)E)- N'(1), N'(3)-bis (3,4,5-substitutedbenzylidene)malonohydrazide with hydrazine hydrate and hydroxylamine hydrochloride respectively under solvothermal conditions involving an ecofriendly method without any environmental pollution, the yield are in the range of 75-96%. The structure of the new compounds were established using elemental analysis, IR, (1)H NMR, (13)C NMR.

Supercritical fluid (SCF) technology has become an important tool of materials processing in the last two decades. Supercritical CO(2) and H(2)O are extensively being used in the preparation of a great variety of nanomaterials. The greatest requirement in the application of nanomaterials is its size and morphology control, which determine the application potential of the nanoparticles, as their properties vary significantly with size. Although significance of SCF technology has been described earlier by various authors, the importance of this technology for the fabrication of inorganic and hybrid nanomaterials in biomedical applications has not been discussed thoroughly. This review presents the nanomaterial preparation systematically using SCF technology with reference to the processing of biomedical materials. The basic principles of each one of the processes have been described in detail giving their merits and perspectives. The actual experimental data and results have been discussed in detail with respect to the selected nanomaterials for biomedical applications. The SCF synthesis of nanoparticles like phosphors, magnetic materials, carbon nanotubes, etc. have been discussed as they have potential applications in bio-imaging, hyperthermia, cancer therapy, neutron capture therapy, targeted drug delivery systems and so on. The more recent approach towards the in situ surface modification, dispersibility, single nanocrystal formation, and morphology control of the nanoparticles has been discussed in detail.

Quality of water is an important criterion for evaluating the suitability of water for irrigation and drinking. In the present study the analysis of water samples from different sources like open wells, bore wells, farm ponds and streams/rivers of twenty villages of Bantwal taluk of Dakshina Kannada district, South-western Kamataka has been carried out. The physico-chemical characteristics of this water showed that it is suitable for irrigation and agricultural purposes.

The role of citrate washing on the physical and chemical characteristics of magnesium-substituted apatites (HAMgs) was performed. HAMgs were synthesized by a mechanochemical-hydrothermal route at room temperature in as little as 1 h, which is five times faster than our previous work. Magnesium-substituted apatites had concentrations as high as 17.6 wt% Mg with a corresponding specific surface area (SSA) of 216 m(2)/g. A systematic study was performed to examine the influence of increasing magnesium content on the physical and chemical characteristics of the reaction products. As the magnesium content increased from 0 to 17.6 wt%, magnesium-doped apatite crystallite size decreased from 12 to 8.8 nm. The Mg/(Mg + Ca) ratio in the product was enriched relative to that used for the reacting precursor solution. During mechanochemical-hydrothermal reaction, magnesium doped apatites co-crystallize with magnesium hydroxide. Citrate washing serves to remove the magnesium hydroxide phase. The concomitant increase in surface area results because of the removal of this phase. Possible mechanisms for magnesium hydroxide leaching are discussed to explain the measured trends.

Magnesium-substituted hydroxyapatite (Mg-HAp) powders with different crystallinity levels were prepared at room temperature via a heterogeneous reaction between Mg(OH)(2)/Ca(OH)(2) powders and an (NH(4))(2)HPO(4) solution using the mechanochemical-hydrothermal route. The as-prepared products contained unreacted Mg(OH)(2) and therefore had to undergo purification in ammonium citrate aqueous solutions at room temperature. X-ray diffraction, infrared spectroscopy, thermogravimetric and chemical analyses were performed and it was determined that the purified powders were phase-pure Mg-HAp containing 0.24-28.4 wt% of Mg. The concentration of Mg was slightly lower near the surface than in the bulk of the HAp crystals as indicated by X-ray photoelectron spectroscopy. Dynamic light scattering revealed that the median particle size of the room temperature Mg-HAp powders was in the range of 102 nm-1.2 microm with a specific surface area between 91 and 269 m(2)/g. Scanning electron microscopy confirmed that the Mg-HAp powders consisted of submicron agglomerates of nanosized crystals, less than approximately 20 nm.

Crystalline carbonate- and sodium-and-carbonate-substituted hydroxyapatite (CO3HAp and NaCO3HAp) powders were prepared at room temperature via a heterogeneous reaction between Ca(OH)2/CaCO3/Na2CO3 and (NH4)2HPO4 aqueous solution using the mechanochemical hydrothermal route. X-ray diffraction, infrared spectroscopy, thermogravimetry, and chemical analysis were performed. Room temperature products were phase-pure CO3HAp and NaCO3HAp containing 0.8-12 wt% of carbonate ions in the lattice. Dynamic light scattering revealed that the median agglomerate size of the room temperature CO3HAp and NaCO3HAp powders was in the range of 0.35-1.6 microm with a specific surface area between 82 and 121 m2/g. Scanning and transmission electron microscopy confirmed that the carbonated HAp powders consisted of mostly submicron aggregates of nanosized, approximately 20 nm crystals. The synthesized carbonated apatite powders exhibit chemical compositions and crystallinities similar to those of mineral constituents of hard tissues and therefore are promising for fabrication of bone-resembling implants.