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In this proposed work we synthesized the pristine V2O5 nanoparticles and Ag (3.2 % (SV-1), 14.5 %, (SV-5) 23.4 % (SV-9), Cd (5.8 % (CV-1), 23.5 % (CV-5), 35.7 % (CV-9)) and Ru doped (4.9 % (RV-1), 20.7 % (RV-5), 32 % (RV-9)) V2O5 nanoparticles using vigna radiata extract. The nanoparticles were characterized by various techniques like UV-DRS, FT-IR, XRD, FE-SEM and HR-TEM. The antibacterial activities of nanoparticles were studied using bacterial strains such as Staphylococcus aures (S.aureus), Streptococcus pneumoniea (S. pneumoniea), Pseudomonas aeruginosae (P. aeruginosae), Klebsiella pneumoniea (K. pneumoniea) and Escherichia coli (E.coli). Among the nanoparticles the potential bacterium growth inhibition of 99 % for S.aureus was observed for CV-5. The binding efficiency of the nanoparticles with the biomolecule BSA was studied by using UV–visible absorption and emission spectral techniques. It was found that there is a binding interaction between them and the binding constant values are in the range from 104 to 105 M−1. The quenching rate constant (kq) value is bigger than the maximum diffusion constant of biomolecules 2.0 x 1010M−1s−1 suggesting that the interaction is static quenching type. In glucose oxidation studies lower potential with a high current density of 440 mA/cm2 occurred for pristine V2O5 NPs.

Until now, wheat has been threshed using stationary thresher machines to meet the farmers' need for a fine straw to feed their livestock, and the farmers require a cutting and binding machine to harvest the wheat crop. Therefore, this paper aims to maximize the utilization of the Japanese rice combine harvester by making modifications to make it suitable for cutting and binding wheat. The modifications involved removing the threshing and cleaning device, replacing it with a binding mechanism, and modifying the feeding and guidance system for vertically transferring the harvested wheat to the binding device. The experiments were executed to assess the modified machine's performance under four different machine's forward speeds (1.65, 2.10, 2.90, and 3.80 km/h), three average weights of the bundle (3, 5, and 7 kg), and three fall heights for wheat bundles (30, 40, and 50 cm). The modified machine was evaluated regarding binding efficiency, number of bundles per hour, total grain losses, field capacity and efficiency, power and energy requirements, and total operating costs. The results revealed that the maximum binding efficiency was 98.80% achieved at 1.65 km/h forward speed, bundle's weight of 3 kg, and bundle's fall height of 30 cm. In addition, under the conditions mentioned earlier, the number of bundles per hour, total grain losses, field capacity and efficiency, power and energy requirements, and total operating costs were 722 bundles/h, 2.83%, 0.189 ha/h, 81.8%, 11.07 kW, 58.57 kW.h/ha, and 2220.40 EGP/ha (∼74.01 USD/ha) respectively.

Minerals play an important role in maintaining human health as the deficiency of these minerals can lead to serious health issues. To address these deficiencies, current research efforts are actively investigating the utilization of protein-mineral complexes as eco-friendly, non-hazardous, suitable mineral fortifiers, characterized by minimal toxicity, for incorporation into food products. Thus, we reviewed the current challenges in incorporating the cereal-legume protein-inorganic minerals complexes' structure, binding properties, and toxicity during fortification on human health. Moreover, we further reviewed the development of protein-mineral complexes, characterization, and their food applications. The use of inorganic minerals has been associated with several toxic effects, leading to tissue-level toxicity. Cereal- and legume-based protein-mineral complexes effectively reduced the toxicity, improved bone mineral density, and has antioxidant properties. The characterization techniques provided a better understanding of the binding efficiency of cereal- and legume-based protein-mineral complexes. Overall, understanding the mechanism and binding efficiency underlying protein-mineral complex formation provided a novel insight into the design of therapeutic strategies for mineral-related diseases with minimal toxicity. [ABSTRACT FROM AUTHOR]

Minerals play an important role in maintaining human health as the deficiency of these minerals can lead to serious health issues. To address these deficiencies, current research efforts are actively investigating the utilization of protein-mineral complexes as eco-friendly, non-hazardous, suitable mineral fortifiers, characterized by minimal toxicity, for incorporation into food products. Thus, we reviewed the current challenges in incorporating the cereal-legume protein-inorganic minerals complexes’ structure, binding properties, and toxicity during fortification on human health. Moreover, we further reviewed the development of protein-mineral complexes, characterization, and their food applications. The use of inorganic minerals has been associated with several toxic effects, leading to tissue-level toxicity. Cereal- and legume-based protein-mineral complexes effectively reduced the toxicity, improved bone mineral density, and has antioxidant properties. The characterization techniques provided a better understanding of the binding efficiency of cereal- and legume-based protein-mineral complexes. Overall, understanding the mechanism and binding efficiency underlying protein-mineral complex formation provided a novel insight into the design of therapeutic strategies for mineral-related diseases with minimal toxicity.

Abstract Background Lipases (EC 3.1.1.3) catalyze the hydrolysis of oil into free fatty acids and glycerol forming the 3rd largest group of commercialized enzymes. Plant lipases grab attention recently because of their specificity, less production and purified cost, and easy availability. In silico approach is the first step to identify different genes coding for lipase in a most common indigenous plant, wheat, to explore the possibility of this plant as an alternative source for commercial lipase production. As the hierarchy organization of genes reflects an ancient process of gene duplication and divergence, many of the theoretical and analytical tools of the phylogenetic systematics can be utilized for comparative genomic studies. Also, in addition to experimental identification and characterization of genes, for computational genomic analysis, Arabidopsis has become a popular strategy to identify crop genes which are economically important, as Arabidopsis genes had been well identified and characterized for lipase. A number of articles had been reported in which genes of wheat have shown strong homology with Arabidopsis. The complete genome sequences of rice and Arabidopsis constitute a valuable resource for comparative genome analysis as they are representatives of the two major evolutionary lineages within the angiosperms. Here, in this in silico approach, Arabidopsis and Oryza sativa serve as models for dicotyledonous and monocotyledonous species, respectively, and the genomic sequence data available was used to identify the lipase genes in wheat. Results In this present study, Ensembl Plants database was explored for lipase producing gene present in wheat genome and 21 genes were screened down as they contain specific domain and motif for lipase (GXSXG). According to the evolutionary analysis, it was found that the gene TraesCS5B02G157100, located in 5B chromosome, has 58.35% sequence similarity with the reported lipase gene of Arabidopsis thaliana and gene TraesCS3A02G463500 located in the 3A chromosome has 51.74% sequence similarity with the reported lipase gene of Oryza sativa. Homology modeling was performed using protein sequences coded by aforementioned genes and optimized by molecular dynamic simulations. Further with the help of molecular docking of modeled structures with tributyrin, binding efficiency was checked, and the difference in energies (DE) was −9.83 kcal/mol and −6.67 kcal/mol, respectively. Conclusions The present work provides a basic understanding of the gene-encoding lipase in wheat, which could be easily accessible and used as a potent industrial enzyme. The study enlightens another direction which can be used further to explore plant lipases.

Clinicians report low efficacy of Indian polyvalent antivenom (PAV), with >20 vials required for treatment of a snakebite envenoming. We hypothesize that the antivenom efficacy could be reduced due to insufficient antibodies against some venom toxins. To test this, we used third-generation antivenomics to reveal bound and unbound venom toxins of Echis carinatus venom from Goa (ECVGO) and Tamil Nadu (ECVTN). We used 60, 120, 180, 240, 300, and 360 μg of venom and passed through mini-columns containing ~5 mg Antivenom bound to CNBr beads. The non-retained (unbound) and retained (bound) toxins were identified using reverse-phase HPLC and tandem mass spectrometry. Low molecular weight toxins - Short disintegrins (5.3 kDa) and DIS domain of P-II SVMP from ECVGO and ECVTN showed poor binding with antivenom. The immunorecognition sites of antivenom saturated at the lower antivenom-venom ratio for ECVGO than for ECVTN. The immunoretained capacity of antivenom against ECVTN was 140.6 μg and ECVGO was 125.1 μg. The amount of immunoretained toxins quantified can further be used to estimate the efficacy of antivenom by correlating it with in-vivo studies. The unbound toxins identified from this study could be targeted to improve the effectiveness of antivenom. [Display omitted] • Third-generation antivenomics revealed that low-molecular weight Echis carinatus venom toxins do not bind to antivenom. • Toxin recognition sites in antivenom saturated at low antivenom-venom ratio for the venom from Goa. • There was no difference in the percentage binding yields of venoms from Goa and Tamil Nadu to the antivenom. • The Indian Polyvalent Antivenom had >25% binding yields for majority of the toxin families in the venoms. [ABSTRACT FROM AUTHOR]

Background: Lipases (EC 3.1.1.3) catalyze the hydrolysis of oil into free fatty acids and glycerol forming the 3rd largest group of commercialized enzymes. Plant lipases grab attention recently because of their specificity, less production and purified cost, and easy availability. In silico approach is the first step to identify different genes coding for lipase in a most common indigenous plant, wheat, to explore the possibility of this plant as an alternative source for commercial lipase production. As the hierarchy organization of genes reflects an ancient process of gene duplication and divergence, many of the theoretical and analytical tools of the phylogenetic systematics can be utilized for comparative genomic studies. Also, in addition to experimental identification and characterization of genes, for computational genomic analysis, Arabidopsis has become a popular strategy to identify crop genes which are economically important, as Arabidopsis genes had been well identified and characterized for lipase. A number of articles had been reported in which genes of wheat have shown strong homology with Arabidopsis. The complete genome sequences of rice and Arabidopsis constitute a valuable resource for comparative genome analysis as they are representatives of the two major evolutionary lineages within the angiosperms. Here, in this in silico approach, Arabidopsis and Oryza sativa serve as models for dicotyledonous and monocotyledonous species, respectively, and the genomic sequence data available was used to identify the lipase genes in wheat. Results: In this present study, Ensembl Plants database was explored for lipase producing gene present in wheat genome and 21 genes were screened down as they contain specific domain and motif for lipase (GXSXG). According to the evolutionary analysis, it was found that the gene TraesCS5B02G157100, located in 5B chromosome, has 58.35% sequence similarity with the reported lipase gene of Arabidopsis thaliana and gene TraesCS3A02G463500 located in the 3A chromosome has 51.74% sequence similarity with the reported lipase gene of Oryza sativa. Homology modeling was performed using protein sequences coded by aforementioned genes and optimized by molecular dynamic simulations. Further with the help of molecular docking of modeled structures with tributyrin, binding efficiency was checked, and the difference in energies (DE) was −9.83 kcal/mol and −6.67 kcal/mol, respectively. Conclusions: The present work provides a basic understanding of the gene-encoding lipase in wheat, which could be easily accessible and used as a potent industrial enzyme. The study enlightens another direction which can be used further to explore plant lipases. [ABSTRACT FROM AUTHOR]

Procedures for producing and exploring Trypanosoma cruzi farnesyl pyrophosphate synthase (tcFPPS) for surface plasmon resonance (SPR) biosensor‐driven fragment‐based discovery have been established. The method requires functional sensor surfaces with high sensitivity for extended times and appropriate controls. Initial problems with protein stability and lack of useful reference compounds motivated optimization of experimental procedures and conditions. The improved methods enabled the production of pure, folded and dimeric protein, and identified procedures for storage and handling. A new coupled enzymatic assay, using luciferase for detection of pyrophosphate, was developed and used to confirm that the purified enzyme was active after purification and storage. It also confirmed that sensor surfaces prepared with structurally intact protein was active. An SPR‐biosensor assay for fragment library screening and hit confirmation was developed. A thermal shift assay was used in parallel. A library of 90 fragments was efficiently screened by both assays at a single concentration in the presence and absence of the catalytic cofactor Mg2+. Hits were selected on the basis of response levels or ΔTm > 1°C and selectivity for tcFPPS in the presence of Mg2+. Characterization of hits by SPR showed that all had low affinities and the relationships between steady‐state responses and concentrations were not sufficiently hyperbolic for determination of KD‐values. Instead, ranking could be performed from the slope of the linear relationship at low concentrations. This pilot screen confirms that the procedures developed herein enables SPR‐biosensor driven fragment‐based discovery of leads targeting tcFPPS, despite the lack of a reference compound. Significance Statement: To enable the discovery of drugs, it is essential to have access to relevant forms of the target protein and valid biochemical methods for studying the protein and effects of compounds that may be evolved into drugs. We have established methods for the discovery of drugs for treatment of American Trypanosomiasis (Chagas disease), using farnesyl pyrophosphate synthase from Trypanosoma cruzi as a target. [ABSTRACT FROM AUTHOR]

Drinking water treatment residuals (DWTRs) generated during drinking water treatment have been proposed for use in lake restoration as a solid-phase sorbent to inactivate phosphorus (P) in lake sediment. However, treatments that minimize leaching of nitrogen (N) and optimize P sorption capacity may be necessary prior to use. This study assessed seven different treatment methods, including washing and heat treatments at different temperatures and with and without oxygen limitation, among two DWTRs from Thailand. Results showed that oxygen-limited heat treatment at 600 °C substantially reduced N leaching (2 = 0.94), but micropores and oxalate-extractable P modulated the P sorption from high-affinity to low-affinity mechanisms. In conclusion, this study confirmed the importance of amorphous aluminum in DWTRs for inactivating P, and the results suggest that high-temperature treatment under oxygen-limited conditions may be the most reliable way to optimize DWTRs for environmental remediation applications.

Abstract Serum albumins play important roles in many physiological functions and serve as transporters in the transportation and distribution of endogenous and exogenous substances. Ligand-protein interaction experiments and computational approach have great significance in gaining fundamental binding characteristic of the complex. This work reports the interactions of Bovine serum albumin (BSA) with Sodium dodecyl benzene sulfonate (SDBS) and Cetyl pyridinium chloride (CPC), that have been measured by electrical conductivity, spectrophotometric and computational studies. Micellization of ionic surfactants is delayed by concentration of BSA and the temperature also restricted the same. Binding efficiency of BSA to that of ionic surfactants has been determined by absorbance spectroscopy. Computational studies confirmed the presence of 8 binding sites of BSA for SDBS and CPC. It was found that the low energy binding sites of BSA were more preferred by ionic surfactants. Graphical abstract The understanding of molecular interactions of proteins such as Bovine serum albumin (BSA) in micellar environments is very important because BSA serves as carrier of various drugs, hydrophobic ligands, and is collectively used with surfactants in different industrial processes. Unlabelled Image Highlights • Molecular interactions of Bovine serum albumin (BSA) in micellar environments (SDBS, CPC) were studied. • In this work, electrical conductivity, spectrophotometric and computational results were obtained. • 7 binding sites of BSA for SDBS and CPC were found by molecular docking technique. [ABSTRACT FROM AUTHOR]

Purpose: To assess the antiviral efficiency of β-D-glucan (BDG) on human liver cell line (WRL68) infected with dengue virus (DENV). Methods: Cytotoxic activity was assessed via 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. Solid-phase virus binding assay was used to determine the presence of a chemical affinity between dengue virus type 2 (DENV-2) and BDG. Plaque formation assay was performed to measure the suppression of DENV-2. Results: Plaque formation assay results revealed that the inhibition of DENV infection by BDG was effective at 400 φg/mL which occurred by inhibiting virus replication. BDG inhibited DENV replication and produced minimal toxicity on WRL68 cells at 600 φg/mL in a concentration-dependent manner. Treatment of DENV-2 with the highest concentration of the BDG resulted in 60, 55, and 50 % viability at 24, 48, and 72 h, respectively. Plaque formation and binding efficiency data confirmed that BDG protected the WRL68 cells against DENV-2. Conclusion: The results indicate that in infected cells, β-D-glucan was found to be potent in inhibiting replication of the dengue virus. [ABSTRACT FROM AUTHOR]

Abstract: The recombinant basic fibroblast growth factor (bFGF) containing collagen‐binding domain (CBD) has been found to be a potential therapeutic factor in tissue regeneration. However, its binding efficiency and quantification remain uncertain. In this research, massive recombinant bFGFs with good bioactivity for enhancing the proliferation of NIH‐3T3 cells were achieved. An ELISA‐based quantitative method was set up to investigate the binding efficiency of CBD‐bFGFs on collagen films. It indicated that the CBDs significantly increased the collagen‐binding ability of bFGF (P < .05), with the optimum binding condition first determined to be in the pH range of 7.5‐9.5 (P < .05). Then, the relevant equations to calculate the binding density of bFGF, C‐bFGF, and V‐bFGF were acquired. Analysis confirmed that the bioactivity of immobilized bFGFs was well correlated with the density of growth factor on collagen films. Based on this research, the density of growth factor is a logical and applicable dosage unit for quantification of binding efficiency of growth factors, rather than traditional concentration of soluble growth factors in tissue engineering applications. [ABSTRACT FROM AUTHOR]

A novel microcantilever sensor was batch fabricated for Yersinia detection. The microcantilever surface modification method was optimized by introducing a secondary antibody to increase the number of binding sites. A novel microfluidic platform was designed and fabricated successfully. A 30 μL solution could fully react with the microcantilever surface. Those routines enhanced the binding efficiency between the target and receptor on the microcantilever. With this novel designed microfluidic platform, the specific adsorption of 107 Yersinia on the beam surface with modified F1 antibody was significantly enhanced.

On-chip immuno-sensors are a hot topic in the microfluidic community, which is usually limited by slow diffusion-dominated transport of analytes in confined microchannels. Specifically, the antigen-antibody binding reaction at a functionalized area cannot be provided with enough antigen source near the reaction surface, since a small diffusion flux cannot match with the quick rate of surface reaction, which influences the response time and sensitivity of on-chip heterogeneous immunoassay. In this work, we propose a method to enhance the transportation of biomolecules to the surface of an antibody-immobilized electrode with induce charge electroosmotic (ICEO) convection in a low concentration suspension, so as to improve the binding efficiency of microfluidic heterogeneous immunoassays. The circular stirring fluid motion of ICEO on the surface of a floating gate electrode at the channel bottom accelerates the transport of freely suspended antigen towards the wall-immobilized antibodies. We investigate the dependence of binding efficiency on voltage magnitude and field frequency of the applied alternate current (AC) electrical field. The binding rate yields a factor of 5.4 higher binding for an applied voltage of 4 V at 10 Hz when the Damkohler number is 1000. The proposed microfluidic immuno-sensor technology of a simple electrode structure using ICEO convective fluid flow around floating conductors could offer exciting opportunities for diffusion-limited on-chip bio-microfluidic sensors. [ABSTRACT FROM AUTHOR]

The design of synthetic carriers for nucleic acid delivery has become a research field of increasing interest. Studies on the delivery of DNA have brought up a variety of gene delivery vehicles. Recent studies in our group have demonstrated the preparation of new gelatin-based nanoparticles for the sustainable intracellular DNA delivery. Furthermore, the more recently emerged strategy by the intracellular delivery of RNA takes benefit from existing expertise in DNA transfer. In this work, the preparation and physicochemical characterization of new nucleic acid-based particles for the sustainable RNA delivery have been demonstrated. Gelatin (either high or low gel strength) and protamine sulfate have been selected to form particles by interaction of oppositely charged compounds. Particles in the absence of RNA (binary system) and in the presence of RNA (ternary system) have been prepared. The physicochemical characterization (particle size, polydispersity index, degree of RNA entrapment and RNA binding efficiency) has been evaluated as a function of the nature of the RNA derivative (acid form, diethylaminoethanol salt or core form) from torula yeast . The pH-dependent response of nanoparticles co-incubated in buffers at defined pHs that mimic late endo -lysosomal environment has demonstrated that the nanoparticles tend to destabilize and RNA can be successfully released as a consequence of changes in the intracellular pHs. Among the different systems, gelatin B (RNA)-PS nanoparticles using RNA acid form from torula yeast has proved to be the best system, from an effective and economic point of view. [ABSTRACT FROM AUTHOR]

Non-viral delivery using cationic solid lipid nanoparticles (SLNs) represents a useful strategy to introduce large DNA and RNA molecules to target cells. A careful selection of components and their amounts is critical to improve transfection efficiency. In this work, a selected and optimized formulation of SLNs was used to efficiently transfect circular DNA and linear RNA molecules into cells. We characterized the main physicochemical characteristics and binding capabilities of these SLNs and show that they deliver DNA and RNA molecules into cells where they display full bioactivity at nontoxic concentrations using fluorescence- and luminescence-based methodologies. Hence, we established a novel and simple SLN formulation as a powerful tool for future therapeutic use. [ABSTRACT FROM AUTHOR]

In the pathogenesis of malignancies, an active regulatory role belongs to small noncoding RNAs, miRNA (miR). miRNA expression profiles are often associated with the prognosis and therapeutic outcome of different oncological diseases. It is well known that in comparison with normal tissues cancer cells are characterized by hyperexpression of oncogenic miRNAs which leads to oncogenic transformation, carcinogenesis and metastasis progression. From this point of view, selective down-regulation of miRNA expression by specific agents, such as antisense oligonucleotides that recognize particular sequences, therefore, can be an effective tool to regulate the amount of miRNA in cancer cells and decrease tumor malignancy. In this paper, we have designed a series of antisense oligonucleotides addressed to the oncogenic miR-21 with a view to its selective binding and studied patterns of interaction of miR-21 with these oligonucleotides in vitro. The series included linear and hairpin oligonucleotides with the length of antisense fragment of 10-16 nucleotides (nt) complementary to the 5'- or the 3'-end of miRNA target. Hairpin oligonucleotides consist of a sequence complementary to miR-21 and a hairpin containing a four-nucleotide loop and stem of 6-9 bp necessary for stabilizing the complex with miR-21. It has been shown that inclusion of the hairpin with the stem of 6 bp to the oligonucleotide structure leads to a 1.6-fold increase in binding efficiency with miR-21 in comparison with a linear oligonucleotide and elongation of the stem from six to nine bp does not increase binding efficiency. Hairpin oligonucleotides with an antisense sequence of 14 nt effectively hybridize with miR-21 and are not inferior to 16-mer linear and hairpin oligonucleotides in the efficiency of complex formation. Thus, we have shown that hairpin oligonucleotides with antisense fragment of 14 nt and a hairpin, including the stem of 6 bp, are optimal for selective and effective sequestering of mature miR-21. [ABSTRACT FROM AUTHOR]

Favipiravir is an antiviral drug that has been approved during the Covid-19 pandemic for emergency purposes only. It has been administered via intravenous route as a solution form. In order to solubilize Favipiravir, sulfobutylether-beta-cyclodextrin (SBECD) is used as a solubility enhancer in IV injection. Since SBECB is excreted by the kidneys and it is contradicted in patients with several renal impairments. To avoid the severe side effect, it could be administered as a mucoadhesive nanoparticle by DPI. The nanoparticle has been prepared by the nanoprecipitation method using PLGA and Chitosan and the prepared nanoparticles are characterized by physiochemical parameters and in-vitro drug release. In vitro epithelial integrity and dispersion, studies are done and the nanoparticle has particle size and zeta potential of 104.6nm & -4.05mV respectively. The spherical-shaped nanoparticles exhibit sustained release over a period of time. The mucoadhesive nanoparticle showed negligible damage in epithelial integrity with DPI emitted dose of 87.02 % and MMAD of 2.90 µm. The prepared mucoadhesive nanoparticles showed significant mucoadhesive strength of 77.10 % in lung mucous. Based on the above studies, we concluded that delivery of mucoadhesive nanoparticles of Favipiravir through DPI, could be the best alternative route of administration of Favipiravir and this method could be able to treat COVID-19 patients at homecare. [ABSTRACT FROM AUTHOR]

Magnetic iron dust, a byproduct by many chemical industries that performs the reduction of nitro compounds to amine, was used for laccase immobilization. The characterization of magnetic iron dust was done by X-ray diffraction, Fourier-transform infrared, and dynamic light scattering. Biodegradable polymer, chitosan, was coated on to the magnetic iron dust by reverse phase suspension method, which was confirmed by Fourier-transform infrared analysis. Immobilization of the laccase enzyme was done onto the chitosan-coated and non-coated magnetic iron dust. The immobilization was monitored by Fourier-transform infrared analysis. Binding efficiency, optimum pH, and optimum temperature for these immobilized laccases were investigated. X-ray diffraction pattern of magnetic iron dust confirmed presence of magnetite (Fe3O4) and maghemite (γ-Fe2O3) with a particle size of 529.6 nm measured by dynamic light scattering. Laccase was immobilized on chitosan-coated and non-coated magnetic iron dust, monitored by Fourier-transform infrared spectra. Binding efficiency of the laccases was found to be 100% onto the coated and non-coated magnetic iron dust and their activity remained to be 63% and 82%, respectively, even after the 10th cycle of their use. The present results demonstrated the applicability of these immobilized laccase system in the industry in terms of their reusability and waste recycling. [ABSTRACT FROM AUTHOR]

Albinism is an autosomal recessive genetic disorder due to low secretion of melanin. The oculocutaneous albinism (OCA) and ocular albinism (OA) genes are responsible for melanin production and also act as a potential targets for miRNAs. The role of miRNA is to inhibit the protein synthesis partially or completely by binding with the 3′UTR of the mRNA thus regulating gene expression. In this analysis, we predicted the genetic variation that occurred in 3′UTR of the transcript which can be a reason for low melanin production thus causing albinism. The single nucleotide polymorphisms (SNPs) in 3′UTR cause more new binding sites for miRNA which binds with mRNA which leads to inhibit the translation process either partially or completely. The SNPs in the mRNA of OCA and OA genes can create new binding sites for miRNA which may control the gene expression and lead to hypopigmentation. We have developed a computational procedure to determine the SNPs in the 3′UTR region of mRNA of OCA (TYR, OCA2, TYRP1 and SLC45A2) and OA (GPR143) genes which will be a potential cause for albinism. We identified 37 SNPs in five genes that are predicted to create 87 new binding sites on mRNA, which may lead to abrogation of the translation process. Expression analysis confirms that these genes are highly expressed in skin and eye regions. It is well supported by enrichment analysis that these genes are mainly involved in eye pigmentation and melanin biosynthesis process. The network analysis also shows how the genes are interacting and expressing in a complex network. This insight provides clue to wet-lab researches to understand the expression pattern of OCA and OA genes and binding phenomenon of mRNA and miRNA upon mutation, which is responsible for inhibition of translation process at genomic levels. [ABSTRACT FROM AUTHOR]

To evaluate the binding efficacy of Trigonella foenum-graecum seed powder in Lornoxicam tablet formulation in comparison with standard binder such as acacia. Different concentrations of Trigonella foenum-graecum seed powder were used as binder for the formulations of Lornoxicam tablets. The compatibility studies between the drug and excipients were carried out using FT-IR spectroscopy. The tablets were prepared by direct compression method and evaluated for volume of tablet, packing fraction, tensile strength, content uniformity, hardness, disintegration time and in-vitro dissolution studies. The result suggests that formulations containing the concentration of 3.3% Trigonella foenum-graecum seed powder as binding agent show short disintegration, fast dissolution to produce a tablet of better mechanical strength. Optimized formulation was subjected to stability studies at 40° and 75% RH showed no change in hardness, disintegration time and in vitro drug release at 3 months. [ABSTRACT FROM AUTHOR]

In this study the aflatoxin B1 (AFB1) removal capacity, the tolerance to salivary and gastrointestinal conditions, autoaggregation and coaggregation with pathogenic bacteria of Saccharomyces cerevisiae strains isolated from broiler feces, were evaluated. Only four of twelve isolated strains were identified as Saccharomyces cerevisiae using molecular techniques. The results obtained in AFB1 binding studies indicated that the amount of AFB1 removed was both strain and mycotoxin-concentration dependent. Therefore, a theoretical model was applied in order to select the most efficient strain to remove AFB1 in a wide range of mycotoxin concentration. The results indicated that S. cerevisiae 08 and S. cerevisiae 01 strains were the most efficient microorganisms in the mycotoxin removal. Viability on simulated salivary and gastrointestinal conditions was investigated and S. cerevisiae 08 strain showed the best results, achieving 98% of total survival whereas S. cerevisiae 01 reached only 75%. Autoaggregation and coaggregation assays showed S. cerevisiae 08 as the most appropriate strain, mainly because it was the unique strain able to coaggregate with the four bacterial pathogens assayed. Consequently, S. cerevisiae 08 is the best candidate for future in vivo studies useful to prevent aflatoxicosis. Further quantitative in vitro and in vivo studies are required to evaluate the real impact of yeast-binding activity on the bioavailability of AFB1 in poultry. However, this study could be useful in selecting efficient strains in terms of AFB1 binding and provide an important contribution to research into microorganisms with potential probiotic effects on the host. [ABSTRACT FROM PUBLISHER]

The binding efficiency of chitosan samples for Ag+, Cd2+, Cu2+, Pb2+ and Zn2+ has been evaluated in order to consider their application to remediate metal contaminated soil and water. The sorption behaviour of metal ions was assessed using a batch technique at different contact time and initial metal concentration with different background electrolytes. The kinetics followed a pseudo-second-order model, while the equilibrium data correlated well with the Freundlich and Langmuir isotherm models. For example, the maximum sorption capacity (Q) for chitosan was estimated as 1.93 mmol/g for Ag+, 1.61 mmol/g for Cu2+, 0.94 mmol/g for Zn2+, 0.72 mmol/g for Cd2+ and 0.64 mmol/g for Pb2+. Covalent interaction between metal ions and functional groups (amino and hydroxyl) of the chitosans was the main binding mechanism. Ion exchange is not an important process. Chitosan and cross-linked chitosans were able to bind metal ions in the presence of K+, Cl− and NO3 −. The nature of Cl− and NO3 − ions did not affect Zn2+ binding by the chitosans. Even at 11x dilution, the chitosans were able to retain metal ions on their surfaces. [Copyright &y& Elsevier]

Abstract: To develop efficient and reliable methods for prediction of serum protein binding of drug leads, the kinetic characteristics for the interactions between selected compounds and human serum albumin and α1-acid glycoprotein have been explored using a surface plasmon resonance biosensor. Conventional methods for quantification of interactions (i.e., using rate constants or affinities determined on the basis of a reasonable mechanistic model) were applicable for only a few of the compounds. The affinity of a primary interaction and the contribution of lower affinity secondary interactions could be estimated for some compounds, but the affinity of many compounds could not be quantified by either of these methods. To have a quantification method that could be used for all compounds, independent of affinity and complexity of interaction mechanisms, the concept of “binding efficiency,” analogous to “catalytic efficiency” used for enzymes, was developed. It allowed the quantification of the binding of compounds interacting with weak affinity and for which saturation is not reached within a concentration range where the compound is soluble or when the influence of interactions with secondary sites makes interpretations difficult. In addition, compounds with large fractional binding can be identified by this strategy and simply quantified relative to reference compounds. This approach will enable ranking and identification of structure–activity relationships of compounds with respect to their serum protein binding profile. [Copyright &y& Elsevier]

Solution-state nuclear magnetic resonance (NMR) is a versatile tool for the study of binding interactions between small molecules and macromolecular targets. We applied ligand-based NMR techniques to the study of human thymidylate synthase (hTS) using known nanomolar inhibitors and a library of small molecule fragments. Screening by NMR led to the rapid identification of ligand pairs that bind in proximal sites within the cofactor-binding pocket of hTS. Screening hits were used as search criteria within commercially available sources, and a subset of catalog analogs were tested for potency by in vitro assay and binding affinity by quantitative saturation transfer difference (STD)-NMR titration. Two compounds identified by this approach possess low micromolar affinity and potency, as well as excellent binding efficiency against hTS. Relative binding orientations for both leads were modeled using AutoDock, and the most likely bound conformations were validated using experimentally derived STD-NMR binding epitope data. These ligands represent novel starting points for fragment-based drug design of non-canonical TS inhibitors, and their binding epitopes highlight important and previously unexploited interactions with conserved residues in the cofactor-binding site. [ABSTRACT FROM AUTHOR]

Abstract: A series of 3-aryl-4-(arylhydrazono)-1H-pyrazol-5-one inhibitors of GSK3β was developed from a low molecular weight, highly ligand efficient screening hit 1. Hit-to-lead optimization led to a number of highly potent inhibitors, while maintaining the high ligand efficiency of the screening hit. [Copyright &y& Elsevier]

[Display omitted] • Metallo-catanionic aggregates, aggregation is more compact than catanionic aggregates. • By changing anionic part, packing parameters of metallo-catanionic aggregates is affected. • These charged aggregates were analyzed for their interactions with BSA and HEWL. • Dominance of non-polar forces seems to be observed for the protein-aggregates system. • Overall charge of protein influence the interaction between aggregates and proteins. In recent times, protein-surfactant interactions have been extensively explored due to their stimulating applications in different fields. These systems have efficaciously addressed the economic, environmental, and ecological issues. Sensing their prominence, through this report, we investigate and compare the interactional behavior of Bovine Serum Albumin (BSA) and Hen Egg White Lysozyme (HEWL) with metallo-catanionic aggregate mixtures. Attempts have been made to synthesize the metallo-catanionic aggregates from single-chain metallosurfactant (FeCTAC I) and anionic surfactant (SDS) i.e., FeCTAC I:SDS. Before proceeding towards the interactional studies of metallo-catanionic aggregates with model proteins, the morphology of formed aggregates was elucidated. Here, out of different possible molar ratios of FeCTAC I:SDS, two ratios i.e 70:30 and 30:70 were opted. The aggregates were examined through conductivity, Dynamic Light Scattering (DLS), Field Emission Scanning Electron Microscopy (FESEM), Confocal Laser Scanning Microscopy (CLSM), Small Angle X-Ray Scattering (SAXS), Zeta Potential, and Vibrating Sample Magnetometer (VSM) techniques. Interestingly, the SAXS analysis demonstrated the micellar behavior of 70:30 and vesicular behavior of 30:70 aggregates mixture, due to the difference of overall charge on them. The interactional study of BSA and HEWL with FeCTAC I:SDS was carried out through SDS-PAGE, absorption, emission, and circular dichroism (CD) spectroscopy. The effect of FeCTAC I:SDS on the linear polypeptide chain of BSA and HEWL was observed to be different, however, the secondary and tertiary structures were affected similarly. To elucidate the exact locality of FeCTAC I:SDS aggregates on the BSA, a site marker experiment was carried out. The pyrene extrinsic fluorescence experiment was performed to verify the type of interactions among HEWL and metallo-catanionic aggregates. From, the comparative studies, we concluded that the overall system was controlled by the type of forces playing between the protein and aggregate mixture that emerged from the total charge on the protein as well as on the aggregates. These types of metallo-catanionic aggregates that are flexible to shape are considered as the new alternatives for nano-vehicle applications. [ABSTRACT FROM AUTHOR]

Abstract: α-Synuclein aggregation is a hallmark pathological feature in Parkinson''s disease (PD). The conversion of α-synuclein from soluble monomer to insoluble aggregates through the toxic oligomeric intermediates underlie the neurodegeneration associated with PD. Redox active metal ions such as iron (Fe) and copper (Cu) are known to enhance α-synuclein fibrillogenesis. In the present study, we have implemented mathematical approach to monitor the kinetics of aggregation of α-synuclein nucleation and elongation constants based on fluorescence studies. In this pretext, we have implemented mathematical simulations like self and absolute analysis. The mathematical model discussed in this paper is the first of its kind and might prove useful for predicting the drug intervention time to prevent α-synuclein aggregation and has future clinical application. [Copyright &y& Elsevier]

Drinking water treatment residuals (DWTRs) generated during drinking water treatment have been proposed for use in lake restoration as a solid-phase sorbent to inactivate phosphorus (P) in lake sediment. However, treatments that minimize leaching of nitrogen (N) and optimize P sorption capacity may be necessary prior to use. This study assessed seven different treatment methods, including washing and heat treatments at different temperatures and with and without oxygen limitation, among two DWTRs from Thailand. Results showed that oxygen-limited heat treatment at 600 °C substantially reduced N leaching (<0.2 mg/kg TKN) while also improving P sorption capacity (increase of 18–32% compared to untreated DWTR) to a maximum of 45.7 mg P/kg. Washing with deionized water reduced N leaching if a sufficient volume was used but did not improve P sorption. Heating at 200 °C with or without the presence of oxygen did not improve N leaching or P sorption. Regression of P sorption parameters from a two-surface Langmuir isotherm against physio-chemical properties indicated that oxalate-extractable (i.e., amorphous) aluminum and iron were significantly associated with total P sorption capacity (R2 = 0.94), but micropores and oxalate-extractable P modulated the P sorption from high-affinity to low-affinity mechanisms. In conclusion, this study confirmed the importance of amorphous aluminum in DWTRs for inactivating P, and the results suggest that high-temperature treatment under oxygen-limited conditions may be the most reliable way to optimize DWTRs for environmental remediation applications. [ABSTRACT FROM AUTHOR]

• A Novel methodology for differentiating binding of functional groups towards metal surfaces using fluorescence spectroscopy. • Carboxylic acid, hydroxyl and amine functional groups towards Au, Pd and Pt surfaces are focused. • Graphene oxide (GO) hybrids with Au, Pd and Pt nanoparticles as intermediates are optimized for lowest fluorescence of GO. • Functional groups replace GO with their inherent strength towards metal surfaces, hence fluorescence regain is observed. • This methodology can be extended to other functional groups and surfaces with slight modifications for binding efficiency. In this article, we present an easy and simple method to quantify binding of individual functional groups towards metal surfaces based on the fluorescence spectroscopy. An enormous literature exists about the binding of various moieties and substrates; however, majority of these methods involve molecular chemistry rather than individual functional groups. We differentiated binding of −COOH. −OH, and NH 2 functional groups towards Au, Pd and Pt surfaces using a novel methodology. For this purpose, we prepared graphene oxide hybrids with Au, Pd and Pt nanoparticles, which were optimized to have lowest fluorescence of graphene oxide, because of their binding towards nanoparticles. These hybrids were then treated with different molecules having different functional groups by titration experiments, to find the binding constants through Stern–Volmer plots. The fluorescence enhancement of these hybrids was realized through release of GO, as incoming molecules (functional groups) replaced graphene oxide from the surface of nanoparticles. The binding capacity of these functional groups towards noble metal surfaces were determining factor for the amount of released GO. Finally, a comparison of molecules containing these functional groups was made along with comparison of different surfaces, which gives us the best binding efficiencies among all. [ABSTRACT FROM AUTHOR]

In this work, a pyridine containing Schiff-base, 1-((anthracen-10-yl)methylene)-2-(pyridin-2-yl)hydrazine (AP) and a pyrimidine containing Schiff-base 2-(2-(Anthracen-9-ylmethylene) hydrazinyl)-4, 6-dimethyl pyrimidine (ANHP) have been synthesized and characterized by IR, NMR, HRMS and different spectroscopic methods. Two different tri block co polymers (P-123 and F-127) have been used as delivering system of this poor water soluble drug molecule AP and ANHP which are the main investigation of this work. To find out which one is the better delivering systems of AP and ANHP, spectroscopic studies have been carried out in P-123 and F-127 polymeric media. From the interactions of AP and ANHP with P-123 and F-127 polymers individually, binding constant values have been determined. The drug delivering efficiency of block co polymers has been investigated by using different spectroscopic techniques like absorbance, fluorescence, DLS and time resolved fluorescence measurements. All these experimental results indicate that P-123 is the better AP and ANHP delivering system than F-127 polymer. In addition, the structural properties like bond length, bond angles etc. of AP have been calculated by using density functional theory (DFT). P-123 has been selected as carrier for both AP and ANHP. Unlabelled Image • Synthesis and characterization of two Schiff-base, AP and ANHP • Studies of carrier properties of P-123 & F-127 for AP & ANHP in aqueous solution • Structures of AP and ANHP have been optimized by density functional theory (DFT). [ABSTRACT FROM AUTHOR]

A novel microcantilever sensor was batch fabricated for Yersinia detection. The microcantilever surface modification method was optimized by introducing a secondary antibody to increase the number of binding sites. A novel microfluidic platform was designed and fabricated successfully. A 30 μL solution could fully react with the microcantilever surface. Those routines enhanced the binding efficiency between the target and receptor on the microcantilever. With this novel designed microfluidic platform, the specific adsorption of 107 Yersinia on the beam surface with modified F1 antibody was significantly enhanced. [ABSTRACT FROM AUTHOR]