Search

To examine the molecular effects of mindful activities such as yoga and meditation DESIGN: This was an open label single arm exploratory yoga intervention study.64 healthy individuals within the age of 18-60 years were recruited for this one month yoga intervention study.Common Yoga Protocol (CYP) is a standardized yoga protocol released by Ministry of AYUSH, India for International Yoga Day. It includes all aspects of yoga i.e. asanas, pranayama and meditation. It is designed for adoption by all age groups for the health of community.The participants were assessed for biochemical parameters including Fasting Sugar and Lipid profile. The molecular markers of neurogenesis (i.e. Brain derived Neurotropic Factor, BDNF) and Angiogenesis (i.e. Vascular Endothelial Growth Factor, VEGF and Angiogenin) along with Amyloid β (marker related to neuro-degenerative diseases) were assessed. All the assessments were made at baseline and after one month of the intervention.After one month of CYP practice High Density Lipoprotein (HDL) levels increased significantly (p0.001), although other biochemical parameters i.e. fasting sugar and other lipid assessments were found to be unaltered. Angiogenesis marker, angiogenin was increased significantly (p0.002), other angiogenesis marker VEGF did not show any change along with BDNF, marker of neurogenesis. Amyloid β levels were also unaltered. Even though individual levels of VEGF and Amyloid β did not show any change, proportion of VEGF to Amyloid β showed a significant increase (p0.001) after one month of CYP intervention indicating that the change in VEGF levels was significantly higher than the change in Amyloid β levels.CYP practice may influence cell survival pathways mediated by angiogenic and neurogenic cross talk. Hence, CYP can be considered as a preventive measure for diseases associated with impaired angiogenic and neurogenic mechanism. This is the first study to examine the effects of CYP at the molecular level.

CYP27B1, a cytochrome P450-containing hydroxylase enzyme, converts vitamin D precursor calcidiol (25-hydroxycholecalciferol) to its active form calcitriol (1α,25(OH)2D3). Tyrosine kinase inhibitor such as imatinib is reported to interfere with the activation of vitamin D3 by inhibiting CYP27B1 enzyme. Consequently, there is a decrease in the serum levels of active vitamin D that in turn may increase the relapse risk among the cancer patients treated with imatinib. Within this framework, the current study focuses on identifying other possible kinase inhibitors that may affect the calcitriol level in the body by inhibiting CYP27B1. To achieve this, we explored multiple machine learning approaches including support vector machine (SVM), random forest (RF), and artificial neural network (ANN) to identify possible CYP27B1 inhibitors from a pool of kinase inhibitors database. The most reliable classification model was obtained from the SVM approach with Matthews correlation coefficient of 0.82 for the external test set. This model was further employed for the virtual screening of kinase inhibitors from the binding database (DB), which tend to interfere with the CYP27B1-mediated activation of vitamin D. This screening yielded around 4646 kinase inhibitors that were further subjected to structure-based analyses using the homology model of CYP27B1, as the 3D structure of CYP27B1 complexed with heme was not available. Overall, five kinase inhibitors including two well-known drugs, i.e., AT7867 (Compound-2) and amitriptyline N-oxide (Compound-3), were found to interact with CYP27B1 in such a way that may preclude the conversion of vitamin D to its active form and hence testify the impairment of vitamin D activation pathway.

In the era of hybrid organic devices, solution-processed metal-embedded polymer multilayer structures are potential candidates for transparent electrode applications. Here, an organic–inorganic–org...

The speedy development of digital imaging and computer vision has extended the potential of using these technologies in ophthalmology. Image processing systems are increasingly prominent in medical diagnostic systems and especially to modern ophthalmology. The retinal images give information about the health of the visual system. Retinal diseases, such as glaucoma, diabetic retinopathy, age-related macular degeneration, and many other diseases that can lead to blindness, manifest themselves in the retina. An automated system offers standardized large-scale screening at a lower cost, reduces human errors, and provides services to remote areas. Extensive research has been done since the last two decades in developing automated methods. Due to the fast evolution of new techniques, a comprehensive review is needed on such technique and algorithms present to date. This survey paper provides the reader a comprehensive review of the existing research in automated retinal image analysis. In this paper, automated computer aided methods used to diagnose retinal diseases have been reviewed. Several state-of-the art techniques and algorithms used to localize and segment features, such as optic disc and optic cup, macula and fovea, retinal blood vessels, detection of retinal lesions (microaneurysms, haemorrhages, exudates), are discussed and presented.

Pomegranate is an important economic fruit crop associated with several health benefits which is grown in tropical and subtropical regions of the world. Since this crop has been under cultivation for several centuries, by means of evolution and artificial improvement over a long period, many variations have evolved. Improvement in fruit size, quality, resistance to diseases and pest, high yield are some of important breeding objectives. Usually, the easiest assessment of genetic variation is through morphological and phenotypic measures. However, the morphological traits are often influenced by environmental condition, which can affect the estimation of genetic variation and expression of traits. SRAP is a novel molecular marker technique designed to amplify open reading frames (ORFs), which are the essential components of gene sequences. These markers have several advantages over other, such as ease of use, reasonable throughput rate, high polymorphism, low cost and targeting open reading frames (ORFs). Previous studies have shown that SRAP markers are evenly distributed in the genome, and could generate higher polymorphism than markers such as ISSR, RAPD, and SSR. The present work was carried out by using 114 genotypes of pomegranate which were obtained from United State Department of Agriculture. The DNA from these genotypes was isolated using CTAB method.

The paper reports synthesis of graphene oxide (GO) using modified Hummer’s method and its hydrothermal assisted reduction to produce reduced graphene oxide (rGO) for supercapacitor applications. Synthesized GO and rGO were characterized using Raman spectroscopy and their Id/Ig ratio was found to be 0.94 and 0.87, respectively. Scanning Electron Microscopy (SEM) was also performed on samples for detailed surface morphology information. UV-Vis spectroscopy was employed to investigate optical properties. FT-IR spectroscopy was utilized to get the information of attached functional groups and electrochemical characterization (cyclic voltammetry) was used to test the charging discharging behavior of the material. The specific capacitance of synthesized rGO was found to be 105F/g.

Mg2Si based thin films are a promising candidate for thermoelectric applications in the mid temperature range. The main advantages of these films are their low density, abundance of the elements used, good stability and environmental friendly nature. Nano structuring is considered to be useful tool to enhance the properties and hence thin films have been studied; although fabrication of Mg2Si thin film has been difficult due to difference in properties of magnesium and silicon. Semiconducting Mg2Si thin films were deposited on silicon substrate by radio frequency magnetron sputtering at low substrate temperature following a distinct approach. X-ray diffraction (XRD) and Field – Emission Scanning Electron Microscopy (FE-SEM) with EDS were done to study the phases, elemental composition and microstructure of these films. XRD results showed single phase Mg2Si formation. SEM results revealed granular nature of films and no cracks were observed. XPS was employed to study the chemical composition of films. The thin films were studied for their electrical transport behaviour through I-V and Hall measurements. Maximum conductivity of Mg2Si thin films was found to be ∼ 103 S/m and a carrier concentration of 5.14 + 19/cm3 was obtained for 300 nm thick film. The films showed n type nature.

We adapted a simple hydroxylamine-based indole assay to detect indole from stored vaginal swab specimens from women with and without bacterial vaginosis (BV). Women with BV had significantly higher vaginal indole levels compared to women without BV (6451.5 μM vs. 5632.4 μM; P = 0.01), suggesting that indole-producing bacteria are a component of BV.

IL-3, a haematopoiesis regulatory factor, has previously been shown to inhibit both mouse and human osteoclast differentiation and bone resorption. Here, the role of rat IL-3 on rat osteoclast differentiation was evaluated to address whether the inhibitory action of IL-3 on osteoclastogenesis is conserved in various species. It was observed that IL-3 inhibited rat osteoclast differentiation induced by both TNF-α and receptor activator of NF-ĸB ligand (RANKL). TNF-α is known to induce bone loss in postmenopausal osteoporotic women and it also synergise with many pro-osteoclastogenic cytokines to cause huge pathological bone loss. Importantly, it was found that rat IL-3 inhibits the synergistic action of TNF-α with RANKL and IL-1β, TGFβ1 and TGF-β3. IL-3 downregulates the TNF-α-induced nuclear translocation of NF-ĸB-p65 and c-fos without affecting c-jun. Interestingly, we observed that IL-3 also inhibits osteoclast differentiation in vivo in rats induced by TNF-α. All these results suggest that inhibitory action of IL-3 on osteoclastogenesis is conserved in various species including mice, rats and humans. Thus, our results clearly indicate that IL-3 has therapeutic potential to treat pathological bone loss in important skeletal diseases.

In this report, we report a green, rapid and scalable synthetic route for the production of reduced graphene oxide (rGO) using an environment-friendly reducing agent (l-glutathione/L-Glu) to test its feasibility for CO & NO2 gas sensing. The structure, morphology, and thermal stability of as-synthesized rGO are investigated via Raman spectroscopy, Fourier infrared spectroscopy, X-ray diffraction, Field emission scanning electron microscope, and thermal gravimetric analysis. The L-Glu-rGO shows higher sp2 carbon hybridization (42at.%) than graphene oxide (GO) (29 at.%). The results indicate that L-Glu-rGO exhibits good relative response at 150 °C to both gases (10 ppm of NO2 and CO). Further, L-Glu-rGO shows a smaller response time (∼10.61 s for NO2 and ∼5.05 s for CO) than GO (∼16.64 s, ∼11.92 s to NO2 and CO respectively) at 150 °C, indicating the potential application of L-Glu-rGO for gas sensing. Keywords: Green method, l-Glutathione, Graphene oxide, Reduced graphene oxide, Gas sensor

This paper presents a comparative study on gas-sensing behavior of reduced graphene oxide (rGO) synthesized by chemical and green synthesis route. GO is synthesized by Hummers method and then reduced employing two reducing agents hydrazine hydrate [represented by (rGO)1] and l-citrulline [represented by (rGO)2]. Synthesized products were then obtained in the form of thin films, and tested for 10 ppm NO2 and CO at operating temperatures of 50, 100, and 150 °C. The green-synthesized reduced graphene oxide (rGO)2 exhibits higher relative response of 254.7% as compared to conventionally synthesized (rGO)1 (93.9%) and GO (22.7%) for 10 ppm NO2 at operating temperature of 150 °C. Furthermore, a switching of conductivity from usual p-type behavior to n-type on exposure of NO2 is observed at all operating temperatures (50, 100, and 150 °C) for GO, (rGO)1, and (rGO)2. The XRD, FTIR, and Raman confirm the oxidation and reduction process. (rGO)2 shows high thermal stability as observed through TGA. FESEM and TEM images show wrinkled sheet structure for GO as well (rGO)1 and (rGO)2. The data observed from the characterization of resultant products have made it possible to explain better reduction of GO through green-reducing agent and enhanced gas-sensing performance of green-synthesized reduced graphene oxide.

Surface area and morphology of materials play an important role on their gas sensing performance because of the varying number and nature of adsorption sites. Current work reports a comparative study of LaFeO3 synthesized by the facile hydrothermal method using two precursors; citric acid and KOH. The microstructure observed through FESEM and TEM showed different morphologies for the two precursors and calcination time (2 h & 6 h). Prior to calcination, higher surface area (50.54 m2/g) was obtained for LaFeO3 prepared using KOH as compared to that for LaFeO3 using citric acid (3.21 m2/g). Surface area increased from 3.21 to 7.06 m2/g for citric acid and decreased from 50.54 to 11.42 m2/g for KOH as calcination takes place for 6 h. Needle-shaped morphology of p-type LaFeO3 with high surface area (50.54 m2/g) for KOH would provide large active sites which would enhance sensitivity towards gases. Hence, LaFeO3 samples prepared using KOH with and without calcination are expected to give better performance for gas sensing than LaFeO3 samples synthesized using citric acid.

In the present study synthesis of reduced graphene oxide using l -citrulline and its application for detection of 10 ppm concentration of NO and 1% Hydrogen gas at 50 and 100 °C temperature are reported. Characterization by XRD, Raman spectroscopy and FTIR provide strong evidence for reduction of GO. The reduced graphene oxide (rGO) exhibited wrinkle structure indicating its suitability for gas sensing. Further, reduced graphene oxide shows 4.1% and 9.5% response for 10 ppm concentration of NO gas at 50 and 100 °C respectively. The response was 0.87% for 1% H2 gas at 50 °C and 2.07% at 100 °C. This investigation indicates the usefulness of green synthesized rGO for gas sensing.

We report a simple methodology to prepare nano-porous polysulfone membranes using zwitterionic functionalized silica nanogels with high BSA protein rejection and antifouling properties. The zwitterionic silica precursor was prepared by reacting 1,3-propane sultone with 3-aminopropyl triethoxysilane under an inert atmosphere. The precursor was in situ hydrolyzed and condensed in the polysulfone nanoporous membrane network by one-pot acidic phase inversion. The prepared membranes were characterized to establish their physicochemical nature, morphology, and basic membrane properties such as permeation, rejection, and recovery. The zwitterionic membranes showed improved hydrophilicity, membrane water uptake (∼83.5%), water permeation, BSA protein rejection (>95%), and dye rejection (congo red: >52% (∼6-fold increase); methylene blue: ∼15% (∼2-fold increase)) were improved without compromising the membrane flux and fouling resistance. Overall, we report an easy fabrication method of efficient nanocomposite zwitterionic ultrafilter membranes for water treatment with excellent flux, protein separation, filtration efficiency, and antifouling behavior.

The novel coronavirus SARS-CoV-2 emerged in China at the end of 2019 and rapidly became a global pandemic. While there are a variety of experimental treatments currently in clinical trials, there is a dearth of approved therapeutics to treat COVID-19. Drug repurposing identifies existing therapeutics that have already been through testing in humans for new indications, and is particularly advantageous since they could be readily deployed. To this end, we screened a repurposing library of ~3,000 drugs for their antiviral activity against SARS-CoV-2 in a cell-based high-content assay. While screening in African Green Monkey Vero cells found only six antivirals, screening in the human hepatocyte Huh7.5 cells validated 23 drugs with activity against SARS-CoV-2 including: 6 protease inhibitors, 8 kinase inhibitors and two histone methyltransferase inhibitors. Since SARS-CoV-2 infects the lung epithelium, we used the human lung epithelial cell line Calu-3 and found that there are major differences in drug sensitivity and entry pathways used by SARS-CoV-2 in lung cells. While hydroxychloroquine and other quinolines are antiviral in Vero and Huh7.5 cells, they are inactive in Calu-3 cells. Moreover, the TMPRSS2 inhibitor camostat, has antiviral activity in Calu-3 cells but not in other cell types, suggesting that the entry pathway used in Vero and Huh7.5 cells is distinct from that used in lung cells. Entry in lung epithelial cells is pH-independent and requires TMPRSS2, while entry in Vero and Huh7.5 requires low pH and triggering by other proteases in the acidic endosomal compartment. Importantly, we found that 9 drugs were active in lung cells, 7 of which have been tested in humans. This includes 3 FDA approved drugs: Salinomycin, Dacomitinib and Cyclosporine. Moreover, we found that Cyclosporine targeting of Cyclophilin rather than Calcineurin is required, suggesting a strategy to treat SARS-CoV-2. These antivirals are active across diverse cell types, revealing essential host targets that have the potential for rapid clinical implementation. Funding: This study was supported by NIH, Dean’s Innovation Fund, Linda and Laddy Montague, and BWF.

The rGO-LaFeO3 composites were synthesized through a facile hydrothermal method (in one and two steps) to tune the morphology. For this graphene oxide was prepared using Hummer’s method and then it reduced to rGO using KOH as reducing agent. XRD was used for structural investigation and shows smaller d-spacing for rGO which confirm the reduction. XRD pattern of LaFeO3 and its composites shows samples to be highly crystalline and having orthorhombic structure. FTIR results reveal the removal of oxygen functional groups in rGO and formation of perovskite phase in LaFeO3 and its composites. Raman of rGO shows I2D/IG ratio of 0.42 which indicate triple layer of rGO. FESEM investigate layered and wrinkled morphology for rGO and needle shape for LaFeO3. In one step rGO-LaFeO3, needle shape LaFeO3 are seen scattered on rGO layered while for two step rGO-LaFeO3, rGO layer is completely covered with needle shape LaFeO3. It is expected that rGO-LaFeO3 nanostructure will provide an excellent interface between the active specimen and the test gas with enhanced charge transport and diffusion effect thereby enhancing the gas sensing properties

Whereas recent clinical studies report metastatic melanoma survival rates high as 30–50%, many tumors remain nonresponsive or become resistant to current therapeutic strategies. Analyses of The Cancer Genome Atlas (TCGA) skin cutaneous melanoma (SKCM) data set suggests that a significant fraction of melanomas potentially harbor gain-of-function mutations in the gene that encodes for the ErbB4 receptor tyrosine kinase. In this work, a drug discovery strategy was developed that is based on the observation that the Q43L mutant of the naturally occurring ErbB4 agonist Neuregulin-2beta (NRG2β) functions as a partial agonist at ErbB4. NRG2β/Q43L stimulates tyrosine phosphorylation, fails to stimulate ErbB4-dependent cell proliferation, and inhibits agonist-induced ErbB4-dependent cell proliferation. Compounds that exhibit these characteristics likely function as ErbB4 partial agonists, and as such hold promise as therapies for ErbB4-dependent melanomas. Consequently, three highly sensitive and reproducible (Z’ > 0.5) screening assays were developed and deployed for the identification of small-molecule ErbB4 partial agonists. Six compounds were identified that stimulate ErbB4 phosphorylation, fail to stimulate ErbB4-dependent cell proliferation, and appear to selectively inhibit ErbB4-dependent cell proliferation. Whereas further characterization is needed to evaluate the full therapeutic potential of these molecules, this drug discovery platform establishes reliable and scalable approaches for the discovery of ErbB4 inhibitors.

Electron-impact partial ionization cross sections (PICS) of fragments are reported from threshold to 5 keV energy using a modified form of the binary-encounter-Bethe model. Scaling using mass spectrometry data ensures that the cross sections are of the correct order of magnitude. The total ionization cross sections (TICS) were obtained by summing the PICS of fragments. The PICS and TICS obtained from the modified-binary-encounter-Bethe model are in excellent agreement with the experimental and theoretical results. The molecules investigated are hexamethyldisiloxane and silane. Both these species are highly relevant in plasma processing where the PICS are required to be over an extended energy range. The study of the ionization process in conjunction with mass spectrometry provides correct estimates of the contribution that each charged ion makes to the TICS. The present approach can be easily extended to any species provided that ion energetics and relative cation abundances data are available.

Metal embedded polymer hybrid materials have found a niche of applications in energy and display domain. Herein, we report results of investigations on Polystyrene-Silver-Polystyrene (PAP) multilayer structure (

A mathematical model is developed to study the performance of a molten carbonate based direct carbon fuel cell anode. The direct carbon fuel cell(DCFC) is a fuel cell which uses solid carbon as fuel and molten carbonate as electrolyte. The model assumes that the 4 electron carbon oxidation reaction is the primary reaction driving the DCFC. However, the 2 electron CO oxidation reaction and the reverse Boudouard reaction is also considered in this model. The model studies the effect of performance parameters on the performance of the DCFC. The effect of the bulk conductivity in the solid phase, the bulk conductivity in the liquid phase, carbon loading and the thickness of the anode layer on the potential and current distribution in the cell is modeled. Model results are compared with experimental data and found to compare well.

Xylitol is a pentahydroxy sugar-alcohol which exists in a very low quantity in fruits and vegetables (plums, strawberries, cauliflower, and pumpkin). On commercial scale, xylitol can be produced by chemical and biotechnological processes. Chemical production is costly and extensive in purification steps. The precursor xylose is produced from agricultural biomass by chemical and enzymatic hydrolysis and can be converted to xylitol primarily by yeast strain. Hydrolysis under acidic condition is the more commonly used practice influenced by various process parameters. Biotechnological xylitol production is an integral process of microbial species belonging to Candida genus which is influenced by various process parameters such as pH, temperature; time, nitrogen source, and yeast extract level. It is a functional sweetener as it has prebiotic effects which can reduce blood glucose, triglyceride, and cholesterol level. Dental caries is an infectious microbiologic disease of the tooth that results in localized dissolution and destruction of calcified tissues. Xylitol has been shown to reduce dental caries when mixed with food, chewing gums and milk. Dental caries are prevalent in acidic pH where Streptoccocus mutans (MS) ferment resulting in demineralization of tooth, where as Streptococcus mutans cannot ferment xylitol thus it reduces MS by altering their metabolic pathway and enhance remineralization and helps arrest dentinal caries. Reduction in caries rate is greater, when xylitol is used as the sugar substitutes. This review discusses the taste acceptability of xylitol in milk as a step towards measuring the effectiveness for the reduction of dental caries. Keywords: Xylitol, Carbohydrates, Caries, Remineralisation, Demineralization, Streptoccocus mutans

Studies on hydrogen bonding interaction in various systems, involving phenylacetylene (PhAc), propargyl alcohol (PA), borazine (BNH), propargyl amine (PAm) were performed using matrix isolation infrared spectroscopy and supported by ab initio computations. Weak intermolecular interactions of the above mentioned precursors with water, methanol, ether, acetylene and benzene were studied. These systems manifested O-H center dot center dot center dot pi n-sigma* interactions, such as C-H center dot center dot center dot O, N-H center dot center dot center dot O, O-H center dot center dot center dot O and O-H center dot center dot center dot N. In several cases the complexes were multiply tethered involving two or more of the above mentioned contacts. Many of the weak complexes exhibited a number of isomers, and the relative importance of the multiple non-covalent contacts resulted in a competition between the various isomers for the global minimum. It was found that subtle changes in the structures of the precursors tilted the balance towards one isomer or the other. Our studies also threw up a systematic method of building possible structures for complex systems starting from the known structures of related simple systems. We also studied the homodimers of PA and BNH. The BNH dimer was particularly interesting as one of its isomers was characterized by a bis-dihydrogen bond. We also studied the influence of hydrogen bonding interactions in determining the conformational landscape and preference in amino acids. Here again we were able to draw some generalizations regarding the conformational stability of amino acids. The combination of matrix isolation and ab initio computation is a powerful tool for studies on weak intermolecular interactions and conformations.

A polydopamine mediated amphiphilic molecular grafting approach was designed by combining hydrophilic and hydrophobic segments into the same moiety for creating amphiphilic surfaces with enhanced antifouling properties. Polydopamine (PDA) coating was performed on microporous polysulfone (PSF) membranes to form an active mediating layer. After that N,N-dimethyl ethylenediamine (DMEDA) was grafted on the PDA layer via Michael addition reaction and the tertiary amine functionality of DMEDA was reacted with 1-Iodo-1H,1H,2H, 2H-perfluorodecane to obtain amphiphilic molecular functionalization. All modification steps were confirmed by characterizations using X-ray photoelectron spectroscopy, scanning electron microscopy, capillary flow porometry, and surface wetting using a dynamic contact angle method. The antifouling study by protein adsorption shows that the hydrophilic-hydrophobic molecular layers in proximity effectively prevent nonspecific protein adsorption compared to the virgin PSF membrane. The antifouling property was further evaluated by real-time cyclic filtration with a 5 mg ml−1 bovine serum albumin (BSA) solution. The final modified amphiphilic surface has shown reduced irreversible protein bounded properties on and inside the membrane surfaces along with high flux recovery. Furthermore, the oil-in-water emulsion filtration shows excellent oil rejection at a high flux rate with nearly complete flux recovery. These findings indicate a promising and smart membrane surface modification technique that can be readily tailored for water filtration and separation applications.

Proteases are hydrolytic enzymes capable of degrading proteins into small peptides and amino acids. They account for nearly 60% of the total industrial enzyme market. Proteases are extensively exploited commercially, in food, pharmaceutical, leather and detergent industry. Given their potential use, there has been renewed interest in the discovery of proteases with novel properties and a constant thrust to optimize the enzyme production. This review summarizes a fraction of the enormous reports available on various aspects of alkaline proteases. Diverse sources for isolation of alkaline protease producing microorganisms are reported. The various nutritional and environmental parameters affecting the production of alkaline proteases in submerged and solid state fermentation are described. The enzymatic and physicochemical properties of alkaline proteases from several microorganisms are discussed which can help to identify enzymes with high activity and stability over extreme pH and temperature, so that they can be developed for industrial applications.

The 1:1 dimer of borazine–acetylene has been studied for the first time, both experimentally and computationally. The borazine–acetylene dimer was trapped in Ar and N2 matrices, and studied...

In the present work, the organic/inorganic hybrid nanocomposites of polyvinyl carbazole (PVK) with differently (bare, CdO, ZnS, ZnO) capped CdS nanoparticles were evaluated for their luminescent properties. The bare CdS and CdS/X nanoparticles were synthesized by co-precipitation and PVK–CdS/X nanocomposites were prepared by spin coating technique. The synthesized nanocomposites were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), optical absorption and photoluminescence spectroscopic techniques. The crystallite size was calculated from the XRD data while the TEM patterns confirm the spherical shape of the nanoparticles. The addition of CdS/ZnS nanoparticles gave the highest luminescence while CdS/CdO nanoparticles favor the decreased luminescence of PVK in PVK–CdS/X nanocomposites. The variation in luminescence is also supported by the analysis of fluoresce decay curves. These results are very important in selecting the shell material in core/shell nanoparticles to be incorporated in the development of new and efficient materials.

Apatitic bone cements have been used as a clinical bone substitutes and drug delivery vehicles for therapeutic agents in orthopedic applications. This has led to their combination with different drugs with known ability to foster bone formation. Recent studies have evaluated Simvastatin for its role in enhanced bone regeneration, but its lipophilicity hampers incorporation and release to and from the bone graft. In this study, injectable calcium phosphate foams (i-CPF) based on a-tricalcium phosphate were loaded for the first time with Pitavastatin. The stability of the drug in different conditions relevant to this study, the effect of the drug on the i-CPFs properties, the release profile, and the in vitro biological performance with regard to mineralization and vascularization were investigated. Pitavastatin did not cause any changes in neither the micro nor the macro structure of the i-CPFs, which retained their biomimetic features. PITA-loaded i-CPFs showed a dose-dependent drug release, with early stage release kinetics clearly affected by the evolving microstructure due to the setting of cement. in vitro studies showed dose-dependent enhancement of mineralization and vascularization. Our findings contribute towards the design of controlled release with low drug dosing bone grafts: i-CPFs loaded with PITA as osteogenic and angiogenic agent

Cadmium Selenide (CdSe) and Zinc doped Cadmium Selenide nanostructures were synthesized by the reaction of Cadmium acetate [Cd(CH3COO)2.2H2O], Sodium Selenosulphate, hydrazine hydrate (N2H4.H2O) in distilled water and in presence of NaOH by sonochemical method. The crystal structure, surface morphology and optical properties of the pure CdSe and Zn doped CdSe were examined by using X-Ray diffractometer, Scanning Electron Microscopy, Fourier Transform Infrared, UV-Vis Spectrophotometer. According to X-Ray diffraction study showed the hexagonal crystal structure, with decrease in doping concentration in CdSe, the particle size decreases. Scanning Electron Microscopy images were used to examine surface morphology, phase structure. FTIR results show the bonding on the surface of CdSe nanoparticles. UV-Vis spectroscopy result shows the band gap energy was found to vary between 1.81 and 2.25 eV due to the incorporation of Zn. The as-synthesized CdSe composite efficiently catalyzed the photodegradation of methylene blue in aqueous solutions under visible-light irradiation, exhibiting higher photocataytic activity.

Microporous polyvinylidene fluoride (PVDF) based membranes are widely used in separation and purification applications, including oil/water separation. However, due to hydrophobic nature, these membranes are prone to high fouling and wetting by low surface tension liquids and substances, thereby limiting its full potential in many important applications such as oil/water separation. Herein, we present a simple and straight forward method to modify and produce in-air superamphiphilic and under-water superoleophobic PVDF membranes by molecular grafting using three different amino silanes. The molecular grafting imparted novel properties due to the combined effect of chemistry, nanostructuring, and roughness. After grafting, the membranes exhibited in-air superamphiphilicity in both dry and wet conditions. In water, the membrane does not allow the attachment of oil droplets, making it superoleophobic. However, when placed under oil, the membrane showed superhydrophobicity but still allowed the adhesion of water droplets. After thorough characterization for structure, modification, and physicochemical properties, the membranes were tested for oil/water mixture separation. The functionalized membranes showed > 99% oil rejection and flux recovery. These results showed great promise for molecular grafting of membranes for separation and purification applications.

The multilayer thin films of SnO 2 /Ag/SnO 2 were deposited using electron-beam and thermal evaporation for flat panel display application. The as-prepared SnO 2 /Ag/SnO 2 specimen was irradiated with 100 MeV O 7+ ions by varying the fluences 1 × 10 12 and 5 × 10 12 ions/cm 2 . The pristine and irradiated films were investigated using XRD, SEM, AFM and Raman to find out modification in the structure and surface morphology of the films. UV–Vis and Hall measurement techniques were used to investigate the optical and electrical properties respectively. It was observed that the roughness of the film after irradiation (for the fluence of 1 × 10 12 ions/cm 2 ) ​ decreased to 0.68 nm from 1.6 nm and showed an increase in roughness to 1.35 nm on increasing the fluence to 5 × 10 12 ions/cm 2 . This oxide/metal/oxide structure fulfills the basic requirements of a TCE, like high-transmittance >75% for pristine and >80% for the fluence of 1 × 10 12 ions/cm 2 over a broad spectrum of visible light for practical applications. The multilayer structure shows change in the electrical resistivity from 1.6 × 10 −3 Ω cm to 6.3 × 10 −3 Ω cm after irradiation.

A SnOx/Au/SnOx transparent conductive oxide (TCO) multilayered film was fabricated with a total thickness of 75 nm using both e-beam and thermal evaporation techniques. X-ray diffraction confirms the amorphous nature of SnOx with a crystalline peak attributed to the presence of diffraction from the Au (111) plane. The morphological studies using atomic force microscopy (AFM) and scanning electron microscopy (SEM) revealed a smooth top layer of the sandwich structure. A Rutherford backscattering spectrum has been used to probe the thickness of individual TCO layers, and reveals an oxygen deficient structure in the SnOx layer. X-ray absorption spectroscopy (XAS) and X-ray emission spectroscopy (XES) measurements confirm the formation an SnO-rich phase and the presence of oxygen vacancies. The specimen exhibited resistivity and sheet resistance of 3.9 × 10−4 Ω cm and 52 Ω sq.−1, respectively, with an optical transparency of 83% beyond 475 nm. The superior parameters exhibited by this stacked multilayer are due to relatively lower oxygen concentration in the tin oxide layer, and it is therefore proposed as a necessary ingredient to increase the overall conductivity in metal oxide multilayer thin films.

Hydrogen-bonded complexes of C2H2 and phenylacetylene (PhAc) were studied using matrix isolation infrared spectroscopy and quantum chemical computations. Both C2H2 and PhAc, being potential proton donors, the question arises as to which of the two species would be the proton donor in the PhAc-C2H2 complex; a question that this work primarily addresses. The molecular structures, vibrational frequencies, and interaction energies of the PhAc-C2H2 complexes were calculated at the M06-2X and MP2 levels of theory, employing both 6-311++G(d,p) and aug-cc-pVDZ basis sets. At the M06-2X/aug-cc-pVDZ level, two nearly isoenergetic complexes (BSSE corrected) were indicated to be the global minima; one a C-H···π complex, where C2H2 served as a proton donor to the phenyl π-system in PhAc, and the other a C-H···π complex, where C2H2 served as a proton donor to the acetylene π-system in PhAc. Of the two, only the second complex was identified in the matrix, evidenced by a characteristic large shift in the ≡C-H stretch of C2H2. Experiments were also performed using PhAc deuterated at the acetylene hydrogen (PhAcD) to study the isotopic effects on the vibrational spectra of complexes. The isotopic studies further confirmed the structure of the complex trapped in the matrix, thereby presenting unambiguous evidence that C2H2 served as the proton donor to the acetylene π-system of PhAc. The theory of atoms-in-molecules (AIM), energy decomposition (EDA), and natural bond orbital (NBO) analysis were performed to understand the nature of the interactions involved in the complexes.

Summary A sandwiched structure with a metal layer embedded between two metal oxide layers was fabricated on glass substrate to be used as transparent electrode in organic devices. The oxide layers of ZnO were dip coated with a thickness of about 60 nm each while the metal inter layer was sputter coated with a thickness of about 5 nm at room temperature. The deposited films were annealed at 200°C for 2 hrs to remove all additives. Such structures have been found to be suitable for applications in organic solar cell and OLED. The samples have been characterized using XRD, SEM and EDAX. Optical properties were measured by UV-VIS and AFM was used to measure the roughness. The XRD pattern indicates the nearly amorphous structure of the thin film. The size of the aggregates as given by FESEM ranges from 30–50 nm and EDAX confirms the presence of elements of the three layers. The roughness as calculated using AFM is about 2.40 nm. UV-VIS spectroscopy showed a high transparency of over 87% in the visible region for the sandwich structure making it suitable for TCO applications.

The present work reports the fabrication and characterization of high mobility thin-film transistors, where zinc nitride is used as the active layer (∼100 nm thick). For the TFT, the active layer was deposited at room temperature on different substrates (Si-p type and glass) by RF magnetron sputtering method and annealed at 350 °C post-fabrication and HfO2 was used as the gate insulation layer (∼50 nm thick). The obtained value of field-effect mobility was greater than 5 cm2 Vs−1, with optical bandgap ∼3.07 eV. The two MIS (metal insulator semiconductor) structures were analyzed using I–V and C–V measurements. It is demonstrated that Zinc Nitride is a potential candidate to be used as an active layer in TFT fabrication. The threshold voltages of the device built on Si and glass substrates were obtained as 0.8 volts and 2.6 volts respectively.

Background: Glaucoma is a chronic, progressive optic neuropathy which leads to optic nerve damage and loss of visual function. Elevated intraocular pressure (IOP) is the most important and only modifiable risk factor. Ocular hypotensive agents have the potential to lower the IOP and preserve vision. Aims and Objectives: The aims of the study were to compare topical latanoprost eye drop and topical timolol eye drop as appropriate and cost-effective management of primary open-angle glaucoma (POAG). Materials and Methods: A total of 70 newly diagnosed patients POAG who fulfilled the inclusion/exclusion criteria were enrolled and randomized into two groups. The first group L-Group was prescribed topical latanoprost 0.005% eye drop once daily, whereas the second group T-Group was prescribed topical timolol 0.5% eye drop twice a day. Final reduction in IOP was recorded after 3 months of treatment in both the groups. The cost-effectiveness was calculated as the cost of the drug per mmHg fall in IOP. Results: In our study, the IOP lowering efficacy of latanoprost was found to be superior to timolol. In the latanoprost group, the mean reduction in IOP from baseline to final visit was 10.13 mmHg, whereas only 5.84 mmHg in the timolol group. The average cost-effective ratio was found to be Rs. 32.4/ mmHg and Rs. 6.16/mmHg for latanoprost and timolol, respectively. Hence, timolol proved to be more cost effective as compare to latanoprost. Conclusion: Although latanoprost was found to be superior to timolol in reducing the IOP, yet because of its high cost the treatment should be started with timolol and latanoprost should only be used as an add-on therapy in cases not able to achieve target IOP by timolol monotherapy or in whom timolol is contraindicated.

One of the treatments for recurrent or complicated osteomyelitis is by local antibiotherapy mediated by suitable bone grafts. ß–Tricalcium Phosphate (ß–TCP) bioceramic is a resorbable bone graft. Its microporosity allows for incorporation of drugs, but a too fast release is often obtained. Complex strategies have been explored to obtain controlled drug release. In this work, plasma polymerization of a biocompatible polymer was investigated on ß-TCP. Polyethyleneglycol (PEG)-like polymer coatings of different thickness were deposited on microporous ß-TCP loaded with antibiotics. A highly hydrophobic surface was obtained despite the hydrophilicity of the PEG-like layer produced, which was associated to the roughness of the ß-TCP substrate. The bioceramics nevertheless retained their suitable biological behavior with regard to human osteoblast cells. The microbiological activity of the antibiotics was preserved, and the coatings reduced the total amount of drug released as a function of the increasing plasma treatment time.

Background Ever since the first atomic structure of an enzyme was solved, the discovery of the mechanism and dynamics of reactions catalyzed by biomolecules has been the key goal for the understanding of the molecular processes that drive life on earth. Despite a large number of successful methods for trapping reaction intermediates, the direct observation of an ongoing reaction has been possible only in rare and exceptional cases. Results Here, we demonstrate a general method for capturing enzyme catalysis “in action” by mix-and-inject serial crystallography (MISC). Specifically, we follow the catalytic reaction of the Mycobacterium tuberculosis β-lactamase with the third-generation antibiotic ceftriaxone by time-resolved serial femtosecond crystallography. The results reveal, in near atomic detail, antibiotic cleavage and inactivation from 30 ms to 2 s. Conclusions MISC is a versatile and generally applicable method to investigate reactions of biological macromolecules, some of which are of immense biological significance and might be, in addition, important targets for structure-based drug design. With megahertz X-ray pulse rates expected at the Linac Coherent Light Source II and the European X-ray free-electron laser, multiple, finely spaced time delays can be collected rapidly, allowing a comprehensive description of biomolecular reactions in terms of structure and kinetics from the same set of X-ray data. Electronic supplementary material The online version of this article (10.1186/s12915-018-0524-5) contains supplementary material, which is available to authorized users.

Chlamydia trachomatis serological assays with improved sensitivity over commercially available assays are needed to evaluate the burden of C. trachomatis infection and the effectiveness of prevention efforts. We evaluated the performance of a C. trachomatis outer membrane complex protein B (OmcB) enzyme-linked immunosorbent assay (ELISA) in the detection of anti- C. trachomatis antibody responses in C. trachomatis -infected women.

Matrix isolation spectroscopy is a popular technique that has been used for the last six decades or so to study molecular conformations, weak intermolecular interactions, transient species, and species related to high temperature chemistry. In this technique, the species of interest is immobilized in a rigid inert gas matrix at cryogenic temperatures (∼10K). The trapped species are then probed using a variety of spectroscopic techniques, the most popular being infrared spectroscopy. Other techniques, such as electron paramagnetic resonance, UV-visible absorption, and fluorescence spectroscopy, have also been used. One of the strong points of this technique is its ability to trap local minima that molecular beam gas phase studies usually do not. Hence a wider perspective of the potential surface can be obtained. The experimental data from matrix isolation spectroscopy have been well supported by computations. It is the interplay between experimental and computational techniques, which has made the matrix isolation technique very powerful. This chapter describes the technique, the many advances it has seen over the years, and case studies to highlight the many applications.