Spectroscopic Studies on Structurally Modified Anthraquinone Azo Hydrazone Tautomer: Theoretical and Experimental Approach.

A series of unique four mono-azo substituted anthraquinone analogue were synthesized by using the anthraquinone components in the diazo-coupling technique. The FT-IR, 1H NMR, and HRMS, data were used to confirm the structure of the molecules, and spectroscopic techniques like UV-Vis, and photoluminescence spectroscopy were employed to estimate the photophysical properties of the molecules. The molecular optimized geometry and frontier molecular orbitals were estimated using density functional theory. Further, global chemical reactivity descriptors parameter was theoretically estimated using the value of the highest occupied molecular orbit and lowest unoccupied molecular orbits. The anti-tubercular action of the synthesised dyes were also examined. The results of this biological activity showed that N-isopropyl aniline combined with anthraquinone N-isopropyl aniline had superior anti-tubercular activity when compared to Rifampicin as the standard. As per molecular docking studies, the synthesized compound Q1 showed excellent binding energy (-10.0 kcal/mol) among all compounds against the 3ZXR Protein. These results agreed with our in-vitro anti-TB activity results.

Novel 3D-flower shaped KTaO3 perovskite for highly efficient photocatalytic and H2 generation ability.

Treatment of industrial wastewater is one of the biggest challenges that mankind is facing today to prevent environmental pollution and its associated adverse effects on human health. Environmentalists across the world have given a clarion call for dye degradation, wastewater treatment and their effective management in our surrounding habitats. Despite significant progress in the development of new water treatment technologies, new materials haven't matured enough for large scale industrial applications. Hence, the development of new scalable and sustainable multifunctional materials having the potential to treat wastewater and generate energy is the need of the hour. In this direction, novel 3D-flower shaped KTaO3 (3D-F-KT) material has been synthesized using areca seed powder as a green fuel. This new material has been successfully applied for the treatment of industrial wastewater contaminated with Rose Bengal. The efficiency of the material was analysed using several parameters like catalytic loading, dye concentration, kinetic and scavenging experiments, photostability, effect of co-existing ions and recyclability. In addition, the material was subjected to optical studies and H2 generation, making it a highly versatile multifunctional material, exhibiting a degradation efficiency of 94.12% in a short span of 150 min and a photocatalytic H2 generation efficiency of 374 µmol g-1 through water splitting. With an immense potential, KTaO3 presents itself as a multifunctional catalyst that can be scaled up for a variety of industrial applications ranging from wastewater treatment to energy generation and storage.

Sensing and sensitive visualization of latent fingerprints on various surfaces using a versatile fluorescent aggregation-induced emission-based coumarin derivative.

The marked rise in criminal activity in society has made a difficult task for forensic scientists who aim to track any crime scene effectively, therefore visualization of latent fingerprints (LFPs) plays an increasingly vital role in forensics. In the present report, a highly sensitive solvatochromism, aggregation-induced emission-based 2-(4-nitrophenyl)-3H-benzocoumarin fluorescent dye (CFD) was fabricated using an ultrasonication protocol. The fluorescence properties of the CFD were analyzed using fluorescence spectrophotometer. The CFD produced a greenish yellow emission in solid and fluid states. An in-depth visualization of LFPs showed detailed ridge patterns under normal and ultraviolet light sources (254 and 365 nm) due to the excellent chemisorption of CFD onto the ridge patterns on the finger. All three types of ridge details were visualized without any background interference when using a simple and quick powder dusting method. Results revealed that, the present fluorescent dye can be used successfully for detection of latent fingerprints (LFPs) on various nonporous substrates surfaces, in organic light-emitting diodes applications (OLEDs), and for electrochemical sensing.

May Measurement Month 2018: an analysis of blood pressure screening results from Oman.

As per WHO estimates, around 17% of the adult Omani population are hypertensive. However, people with hypertension are often unaware of the diagnosis, and so the May Measurement Month (MMM) programme was set up to raise awareness of the importance of blood pressure (BP) screening. A cross-sectional screening of BP of subjects aged 18 years or more was carried out in May 2018 at various sites in Muscat, Oman. Screening sites were set up at the reception areas of participating hospitals, and at a few public areas such as shopping malls and workplaces of the volunteers. Blood pressure was measured according to a standardized protocol, and hypertension was defined as per the 2018 European Society of Hypertension guidelines. The data were analysed centrally by the MMM project team. A total of 12 689 individuals (mean age 40.6 ± 12.5 years, 72% male) were screened. The crude mean BP of the second and third readings (where three readings were taken, n = 4 738) was 127.1/79.2 mmHg. After multiple imputations, the average age and sex standardized BP was 127.3/80.2 mmHg. Of all participants, 29.8% had hypertension. There were 1 983 patients with a previous diagnosis of hypertension, of whom 1 810 were on antihypertensive medication. A further 1 973 subjects were newly diagnosed with hypertension. Of those on antihypertensive medication, 34.9% had uncontrolled BP readings. Screening programmes such as MMM are useful to identify persons with undiagnosed hypertension. However, more educational activities are required to increase the public awareness regarding the dangers of hypertension.

Biocompatible synthesis of reduced graphene oxide from Euphorbia heterophylla (L.) and their in-vitro cytotoxicity against human cancer cell lines.

Facile and biocompatible synthesis of reduced graphene oxide from graphene oxide as a precursor and aqueous leaves extract of Euphorbia heterophylla (L.), act as a reducing /capping /stabilizing agent by green chemistry approaches. The obtained product was analyzed by Ultraviolet-Visible spectroscopy (UV-vis), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy and Scanning electron Microscopy (SEM). In addition to this, the significant cytotoxicity of rGO studied against cancerous cell lines such as A549- Human Lung cancer cell line and HepG2-Human Hepatocarcinoma Cell lines in-vitro. These results indicate that the biocompatible synthesis of rGO is straightforward, inexpensive and environmentally friendly for promising large-scale production of industrial purpose and then finding further biomedical applications.

Magnetohydrodynamic viscous fluid flow and heat transfer in a circular pipe under an externally applied constant suction.

An analytical investigation of two-dimensional heat transfer behavior of an axisymmetric incompressible dissipative viscous fluid flow in a circular pipe is considered. The flow is subjected to an externally applied uniform suction over the pipe wall in the transverse direction and a constant magnetic field opposite to the wall. The reduced Navier-Stokes equations in the cylindrical system are applied for the velocity and temperature fields. Constant wall temperature is considered as the thermal boundary condition. The velocity components are expressed into stream function and its solution is acquired by the Homotopy analysis method (HAM). The effects of magnetic body force parameter(M), suction Reynolds number (Re), Prandtl number (Pr)and Eckert number (Ec) on velocity and temperature are examined and are presented in a graphical frame. Streamlines, isotherms and pressure contours are likewise pictured. It is observed that with increasing suction Reynold number decelerates axial flow, whereas it enhances the radial flow. The temperature distribution increases with an increase in Prandtl number, whereas it decreases with an increase in Eckert number (viscous dissipation effect).

BMS-986163, a Negative Allosteric Modulator of GluN2B with Potential Utility in Major Depressive Disorder.

There is a significant unmet medical need for more efficacious and rapidly acting antidepressants. Toward this end, negative allosteric modulators of the N-methyl-d-aspartate receptor subtype GluN2B have demonstrated encouraging therapeutic potential. We report herein the discovery and preclinical profile of a water-soluble intravenous prodrug BMS-986163 (6) and its active parent molecule BMS-986169 (5), which demonstrated high binding affinity for the GluN2B allosteric site (Ki = 4.0 nM) and selective inhibition of GluN2B receptor function (IC50 = 24 nM) in cells. The conversion of prodrug 6 to parent 5 was rapid in vitro and in vivo across preclinical species. After intravenous administration, compounds 5 and 6 have exhibited robust levels of ex vivo GluN2B target engagement in rodents and antidepressant-like activity in mice. No significant off-target activity was observed for 5, 6, or the major circulating metabolites met-1 and met-2. The prodrug BMS-986163 (6) has demonstrated an acceptable safety and toxicology profile and was selected as a preclinical candidate for further evaluation in major depressive disorder.

Citrus maxima (Pomelo) juice mediated eco-friendly synthesis of ZnO nanoparticles: Applications to photocatalytic, electrochemical sensor and antibacterial activities.

In the present work, Zinc oxide nanoparticles (ZnO Nps) have been successfully prepared through a simple, effective and low cost solution combustion method using Zn (NO3)2·6H2O as an oxidizer, chakkota (Common name=Pomelo) fruit juice as novel fuel. X-ray diffraction pattern indicates the hexagonal wurtzite structure with average crystallite size of ~22nm. ZnO Nps were characterized with the aid of different spectroscopic techniques such as Raman spectroscopy, Fourier Transform Infrared spectroscopy, Photoluminescence and UV-Visible spectroscopy. FTIR shows characteristic ZnO vibrational mode at 393cm-1. SEM images show that the particles are agglomerated. TEM image shows the size of the particles are about 10-20nm. Further, in order to establish practical applicability of the synthesized ZnO Nps, photocatalytic degradation of methylene blue (MB) dye as a model system was studied in presence of UV (665nm) light. In addition to this, the antibacterial activity was screen against 3 bacterial strains and electrochemical sensor performance towards the quantification of dopamine at nano molar concentrations was also explored.

Photochemical Elimination of Endocrine Disrupting Chemical (EDC) by ZnO Nanoparticles, Synthesized by Gel Combustion.

Zinc Oxide (ZnO) nanoparticles prepared by gel combustion synthesis using cassava pearl starch have been characterized by various microscopy and spectroscopy techniques. The particle size averaged around 45 nm, revealed zincite structure, hexagonal, agglomerated morphology and possessed an excellent photocatalytic activity in sunlight. Contrary to the existing literature survey, this photocatalyst possessed a band gap of 2.7 eV, causing an extended absorption towards broader range of the solar spectrum, thus making it an excellent visible light-activated photocatalyst. Photocatalytic activity was investigated on one of the highly resistant, most-focused endocrine disrupting chemical (EDC) benzophenone-3 (BP-3), which is used in personnel care products. The observations reveal a near complete photooxidative degradation of BP-3. A reaction mechanism for the photooxidative pathway was proposed based on the isolated intermediates.

Fate of copper complexes in hydrothermally altered deep-sea sediments from the Central Indian Ocean Basin.

The current study aims to understand the speciation and fate of Cu complexes in hydrothermally altered sediments from the Central Indian Ocean Basin and assess the probable impacts of deep-sea mining on speciation of Cu complexes and assess the Cu flux from this sediment to the water column in this area. This study suggests that most of the Cu was strongly associated with different binding sites in Fe-oxide phases of the hydrothermally altered sediments with stabilities higher than that of Cu-EDTA complexes. The speciation of Cu indicates that hydrothermally influenced deep-sea sediments from Central Indian Ocean Basin may not significantly contribute to the global Cu flux. However, increasing lability of Cu-sediment complexes with increasing depth of sediment may increase bioavailability and Cu flux to the global ocean during deep-sea mining.

Municipal Solid Waste Management in Kadapa Town: A Case Study.

Solid waste management (SWM) is a worldwide phenomenon. It is a big challenge all over the world for human beings. The problem of municipal solid waste management (MSWM) is also prevailing in the environment of Kadapa town in India. Therefore, the present study was undertaken to find out the problems and prospects of municipal solid waste in Kadapa town. A detailed investigation was made regarding the methods of practices associated with sources, quantity generated, collection, transportation, storage, treatment and disposal of municipal solid waste in the study area. The data related to SWM in the study area was obtained through questionnaire, individual field visits, interaction with people and authentic record of municipal corporation. Status of the MSW in Kadapa town was studied. The results indicated that the major constituents of municipal solid waste were organic in nature and approximately one fourth of municipal solid waste was recyclable. Detailed data on solid waste management practices, including collection, recovery and disposal method, has been presented in this paper.

Crustacean hyperglycemic hormone precursor transcripts in the hemocytes of the crayfish Procambarus clarkii: novel sequence characteristics relating to gene splicing pattern and transcript stability.

It was demonstrated in a previous study (Wu et al., 2012b) that crustacean hyperglycemic hormone (CHH) gene is expressed in the hemocyte of Procambarus clarkii. In the present study, 2 additional cDNAs (CHH2-L and tCHH2) from the hemocyte and a CHH gene (CHH2) from the abdominal muscle of the same species were cloned. Analyses of the cDNA and genomic sequences suggested that, similar to other previously reported CHH genes, 2 precursor transcripts (CHH2 and CHH2-L) would be derived from CHH2 gene through a process of RNA alternative splicing, and CHH2 and CHH2-L each encode a precursor containing a signal peptide, a CHH precursor-related peptide, and a mature peptide. Further, tCHH2 sequence consists of exon I, exon II, and a truncated segment of intron II of CHH2 gene, followed by a previously unknown 3'sequence. It is suggested that, because the truncation disrupts the highly conserved RNA splice acceptor site, the truncated segment is retained within tCHH2, resulting in encoding a precursor containing the typical precursor components except the mature peptide is truncated with only 40 residues. In addition, unlike 2 other previously identified transcripts (referred to as CHH1 and CHH1-L), CHH2-L, CHH2, tCHH2 contain in the 3'-UTRs 3-5 AU-rich elements (AREs). The data showed that multiple CHH genes are expressed in crayfish hemocytes. Novel sequence characteristics of the transcripts result in an RNA splicing pattern that yields a transcript (tCHH2) encoding a precursor with an atypical truncated mature peptide and possibly leads to a different expression dynamics of the precursors encoded by the ARE-containing transcripts.

Computational analysis and structure predictions of CHH-related peptides from Litopenaeus vannamei.

The crustaceans produce several related peptides that belong to the crustacean hyperglycemic hormone (CHH) family. While these peptides have similar amino acid sequences, they have diverse biological functions that must arise, in part, from differences in the 3D shape of these peptides. However, it is generally accepted that peptides with a high degree of sequence similarity also have a similar 3-D structure. We used the solution structure of one peptide in the crustacean hyperglycemic hormone family, the molt-inhibiting hormone of the kuruma prawn (Marsupenaeus japonicus), to predict the shape of the five known peptides related to CHH in the Pacific white shrimp, Litopenaeus vannamei. The high similarity of the 3-D structures of these peptides suggests a common fold for the entire family. Nevertheless, minor differences in the shape of these peptides were observed, which may be the basis for their different biological properties.

Computational analysis of the structural basis of ligand binding to the crustacean retinoid X receptor.

Homodimerization of the retinoid X receptor (RXR) occurs upon binding of ligands to the receptor, but little is known about structural mechanisms involved in RXR ligand binding. In the present study, binding of known ligands (5-Hydroxytryptamine, dopamine and naloxone) to the Celuca pugilator RXR was modeled computationally using the human RXR-α as a homology template. Docking scores calculated for these ligands showed reasonably good binding interactions to C. pugilator RXR. Furthermore, RXR is the receptor that mediates the different activities of neurotransmitters and opioid against naloxone in crustaceans and possibly other species. These results indicate that 5-hydroxytryptamine and naloxone might have similar functions. These also results suggest a 3-D model of C. pugilator RXR that describes the binding of ligands at a single RXR receptor binding site and offers further insight into the binding of structurally diverse ligands to this receptor. Further, computational studies showed that crustacean RXRs might be closer to vertebrate RXR than to insect RXR. The predicted binding models for C. pugilator RXR may allow for better design of experimental studies, such as site-directed mutagenesis and affinity labeling studies that may yield valuable information concerning structure-activity relationship studies of RXR and its ligands.

Methyl farnesoate couples environmental changes to testicular development in the crab Carcinus maenas.

Carcinus maenas males have two major color phases. Green-phase males molt frequently and tend to live in brackish estuaries during the summer. After becoming red-phase males, they molt infrequently, have higher mating success, and live in cooler, deeper water. We found profound differences between these two phases in the way salinity and temperature affect hemolymph levels of methyl farnesoate (MF), a hormone that affects crustacean reproduction. Few green-phase males (<10%) had detectable MF in 33 ppt seawater (SW) at 11 or 18 degrees C. By contrast, about 30% of the red-phase males had detectable MF at either temperature. After transfer to 5 ppt SW, none of the green-phase males had detectable MF at 11 degrees C whereas 100% of green-phase males did at 18 degrees C. By contrast, 100% of the red-phase males had detectable MF in 5 ppt SW at either temperature. At 11 degrees C, green-phase males had detectable MF after eyestalk ablation (ESA), showing that they can produce MF. There was no additional increase in MF levels when ESA animals of either color phase were transferred to 5 ppt SW, suggesting that the eyestalk is the primary regulator of the MF response to low salinity. MF levels of green-phase males were increased by injecting MF, by ESA, or by exposure to 5 ppt SW at 18 degrees C. The testicular index of these treated animals nearly doubled after two weeks. Our results strongly suggest that environmental conditions such as temperature and salinity, affect testicular development in this crab by changing its MF levels.

Lifelong running reduces oxidative stress and degenerative changes in the testes of mice.

Regular exercise can counteract the adverse effects of aging on the musculoskeletal and cardiovascular systems. In males, the normal aging process is associated with reductions in testosterone production and impaired spermatogenesis, but the underlying mechanisms and their potential modification by exercise are unknown. Here, we report that lifelong regular exercise (running) protects the testes against the adverse effects of advancing age, and that this effect of running is associated with decreased amounts of oxidative damage to proteins, lipids, and DNA in spermatogenic and Leydig cells. Six-month-old male mice were divided into a sedentary group and a group that ran an average of 1.75 km/day, until the mice reached the age of 20 months. Seminiferous tubules of runners exhibited a full complement of cells at different stages of the spermatogenic process and a clear central lumen with large numbers of spermatozoa, in contrast to sedentary mice that exhibited disorganized spermatogenic cells and lacked spermatocytes in a central lumen. Levels of protein carbonyls, nitrotyrosine, lipid peroxidation products, and oxidatively modified DNA were significantly greater in spermatogenic and Leydig cells of sedentary mice compared with runners. These findings suggest that lifelong regular exercise suppresses aging of testes by a mechanism that involves reduced oxidative damage to spermatogenic and Leydig cells.

Hydrothermal synthesis of amorphous MoS2nanofiber bundles via acidification of ammonium heptamolybdate tetrahydrate.

MoS2nanofiber bundles have been prepared by hydrothermal method using ammonium molybdate with sulfur source in acidic medium and maintained at 180 °C for several hours. The obtained black crystalline products are characterized by powder X-ray diffraction (PXRD), Fourier transform infrared spectrometer (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The PXRD pattern of the sample can be readily indexed as hexagonal 2H-MoS2. FTIR spectrum of the MoS2shows the band at 480 cm-1corresponds to the γas(Mo-S). SEM/TEM images of the samples exhibit that the MoS2nanofiber exist in bundles of 120-300 nm in diameter and 20-25 µm in length. The effects of temperature, duration and other experimental parameters on the morphology of the products are investigated.

The synthesis and effects of prostaglandins on the ovary of the crab Oziotelphusa senex senex.

The possible involvement of prostaglandins in the regulation of ovarian development in the crab Oziotelphusa senex senex was investigated. Uptake of labelled arachidonic acid into the ovary of the crab was significantly greater than the other tissues. Prostaglandin H synthase activity was significantly increased in the ovary during the late vitellogenic stage when compared to immature ovary. The biosynthesis of different prostaglandins in the ovary was also measured during the crab reproductive cycle. Injection of prostaglandin F(2alpha) and prostaglandin E(2) significantly increased ovarian index and oocyte diameter in a dose-dependent manner. In contrast, injection of prostaglandin D(2) did not affect ovarian growth. These results demonstrate the presence of prostaglandin biosynthetic system in ovary of the fresh water crabs.

Organotin-induced hyperglycemia in the crab, Oziotelphusa senex senex Fabricius.

Injection of three different organotin compounds such as tripalmitin, fentin and fenbutatin produced a significant increase in the hemolymph sugar level of intact crabs at Oziotelphusa senex senex apparently by stimulating release of the hyperglycemic hormone (HGH).