University of Mysore
University of Mysore - Digital Repository of Research, Innovation and Scholarship (ePrints@UoM)Not a member yet
10042 research outputs found
Sort by
Combined Multispectroscopic and Molecular Docking Assessments to the Effect of an Anticonvulsant, Oxcarbazepine on Human Serum Albumin Conformation and its Binding Properties
Get PDFElimination and distribution of drugs are affected by human serum albumin (HSA) interaction. In children and adults, specific types of seizures are controlled by oxcarbazepine (OXZ) alone or in combination with other medications. However, the OXZ interaction with HSA was probed through 3D fluorescence, emission fluorescence, UV-Vis spectroscopy, and molecular docking. OXZ statically quenched the HSA fluorescence spontaneously and exothermically. Thermodynamic parameters revealed the involvement of hydrogen bonds together with van der Waals forces. Molecular docking inspections confirmed that OXZ is bound to site I of HSA. Strong binding with OXZ (of K-b order 10(5) L/mol) reduced the secondary, micro-environmental, and conformational structures of HSA, suggesting that it unfolds. Thus, the assessment of such conformational details of OXZ-HSA binding is pivotal in surveying the efficacy of OXZ as a therapeutic operator and interpreting its pharmacokinetic properties
An expedient, efficient and solvent-free synthesis of T3P (R)-mediated amidation of benzhydrols with poorly reactive N-nucleophiles under MW irradiation
No full textAn expedient, efficient, economical, environmentally benign, and solvent free amidation protocol of benzhydrols with less reactive nitrogen nucleophiles assisted by propylphosphonic anhydride (T3P (R)) under microwave irradiation has been developed. The methodology has been deployed for a wide range of heterocycles and electron-withdrawing & electron-donating groups. The protocol resulted in good to excellent yields under the given conditions (26 examples, 68-93% yield)
Classification, hydrochemical characterization, and quality assessment of groundwater of coastal aquifer at Sari-Neka plain, Northern Iran
Get PDFLack of data on the hydrogeochemistry of coastal aquifers around the south Caspian Sea warranted the present hydrochemical and quality assessment studies. The study involving classical integrated methods, multivariate statistical analyses, and GIS applications was carried out on the groundwater encountered in coastal Sari-Neka plain, Mazandaran Province, Northern Iran. The present survey indicates that the groundwater encountered at majority (similar to 68%) of the sampling locations is of Na+-SO4(2-) category and constitutes deep meteoric percolation type and the same at the remaining similar to 32% of the sampling locations relates to Na+-HCO3- category and belongs to shallow meteoric percolation class. The groundwater situated at 64% and -36% of the sampling locations belongs, respectively, to freshwater and brackish water categories. The groundwater is specified by Na+ > Ca2+ >Mg2+ >K+ and HCO3- > Cl - > SO42 -> NO3. It pertains to Ca2+-Mg2+-HCO3-, mixed, and Na+-Cl- hydrochemical facies. Reverse cation-anion-exchange process was found dominant at majority (similar to 76%) of the sampling sites. Dissolved solids were originated chiefly from connate brine water confined to the aquifer sedimentary beds, dissolution of aquifer materials, ion-exchange, and different anthropogenic sources. Groundwater encountered at similar to 71% and similar to 27% of the bore well locations belongs to good and excellent categories of drinking water, while that at similar to 73% of the sampling locations pertains to (C3S1) irrigation water class of Richards (Diagnosis and improvement of saline and alkali soils (USDA. Agriculture handbook, Vol. 60). U.S. Department of Agriculture, Washington DC, 1954). The results of the present study are useful for planning sustainable management and protection of the groundwater in coastal areas, especially around the Caspian Sea, and serve as a database for international researchers
Electrochemical sensor based on phenol formaldehyde amine polymer coated ZnO/GO nanocomposite: An innovative nano-framework for the determination of caffeine
No full textAn electrochemical sensor was fabricated by drop-casting ZnO/GO-phenol formaldehyde amine (ZnO/GO-PFA) nanocomposite onto graphite (Gr) electrode for the detection of caffeine. In this concern, the compositional features of the nanocomposite and their morphologies were examined by Fourier-transform infrared spectra (FT-IR), X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and transition electron microscopy (TEM) techniques. The developed sensor exhibited strong electrocatalytic behaviour towards the oxidation of caffeine in phosphate buffer solution (PBS). EIS studies indicated a significant drop of charge transfer resistance (Rct) and cyclic voltammetry (CV) experiments showed a favourable ionic interaction between ZnO/GO-PFA and caffeine. Differential pulse voltammetry (DPV) exhibited a linearly varied oxidation peak with caffeine concentration range between 5-155 mu M, leading to 0.15 mu M detection limit. The improved surface area of the ZnO/GO in the developed sensor led to remarkable stability and repeatability which is attributed to the growth of controlled sized ZnO nanocrystals on the graphene oxide (GO) sheet. The practical applicability of the developed sensor was tested with urine sample with the recovery rate of more than 97 %, suggesting that the fabricated sensor can find potential application in the electroanalysis of caffeine in drugs and food samples
Hydrothermal-From Geology to Technology (Part 1)
Get PDFThe term hydrothermal is of geological origin. A great variety of crystals, minerals, ores and rocks have hydrothermal origin and occur as bulk, fine, ultrafine, and nanosized geologic materials. Hydrothermal refers to the action of water and other solvents at elevated temperature and pressure conditions in bringing about changes in the earth crust leading to the formation of rocks, minerals, crystals and ores. It also refers to the post-magmatic and pre-metasomatic stages. In the hydrothermal processes, a variety of volatiles also play an important role in the chemistry and geochemistry of hydrothermal solutions. The origin of a variety of metal deposits in deep-seated submarine hydrothermal ecosystems link with the origin of life on the earth. Today, hydrothermal has become one of the most important experimental methods of understanding the natural systems leading to the crystallization of rocks, minerals and ore deposits. Similarly, it has become one of the environmentally most benign techniques to synthesize a great variety of technological materials with desired functional properties. The technique has advanced so much that under laboratory conditions a wide range of pressure-temperature conditions can be created using specially designed hydrothermal autoclaves, PT sensors and controllers. In the present review, the authors discuss the evolution of hydrothermal process from geology to technology to develop technological materials in different sizes with specific functional properties. Also, the review describes some characteristic natural systems under hydrothermal conditions leading to the formation of some important geologic materials, the influence of different volatiles in the formation of various rocks and mineral deposits. Also the current trends in hydrothermal technology has been discussed with reference to the lowering of temperature and pressure conditions for the synthesis of high melting compounds like alkali rare earth tungstates, vanadates, diamond, etc. in this article
Competent synthesis of biaryl analogs via asymmetric Suzuki-Miyaura cross-coupling for the development of anti-inflammatory and analgesic agents
Get PDFBased on the core structure of diflunisal drug, herein, we report a resembling series of biaryl analogs (3a-j) containing halogens, nitro, and methoxy substituents. They were designed and synthesized via a Suzuki-Miyaura cross-coupling reaction using Pd (OH)(2) as a catalyst at a temperature of 65 degrees C with an intent to obtain improved and safer anti-inflammatory and analgesic agents. Suzuki-Miyaura transformation is the most significant among the cross-coupling reactions since its practical advantages include the commercially available low toxic reagents, mild reaction conditions, and functional group compatibility. On the other hand, a few conditions can be used to cross-couple aryl boronic acids or esters with aryl halides, especially 2-benzyl halides. Because of this, a novel Suzuki-Miyaura protocol is investigated that facilitates the selective conversion of halo aromatics, with an emphasis on the reaction to convert substituted bromobenzene to conjugated biphenyls. Finally, the obtained biaryl analogs (3a-j) were tested for in vitro and in vivo anti-inflammatory and analgesic applications. The results showed that compound 3b performed better than the standard drug with IC50 values comparable to that of the standard drug for COX-1 and COX-2 inhibition. Finally, molecular docking tests for the effective compound were carried out
Phytoremediation of Heavy Metals and its Application: A comprehensive study
Get PDFYear after year, heavy metal concentrations in the environment are increasing. As a result, heavy metal-contaminated soils must be decontaminated to safeguard the environment and restore the ecosystem. Phytoremediation is a technique for cleaning up toxins in the environment that relies on natural processes. Plants aid in the removal of pollutants through several mechanisms, including absorption and concentration, pollutant transformation, stabilization, and rhizosphere degradation, in which plants promote the growth of bacteria that break down toxins underground in the root zone. While the use of phytoremediation is on the rise, little. There has been focus on the ecological features of the plants used. This research investigated the possibility of using native plants to clean up soil while simultaneously providing benefits above ground, such as wildlife habitat. A relatively new technology is phytoremediation. With several advantages over traditional site clean-up methods. Some of the applications have only been tested in the lab or a greenhouse, while others have been field-tested to the point that they may be employed on a large scale. Phytoremediation was recently produced by engineers and scientists as a cost-effective and environmentally acceptable method of treating polluted areas using biomass/microorganisms or live plants. Only a few of the applications include Phytofiltration, phytostabilization, phytoextraction, and phytodegradation
On generalization of a Ramanujan’s theta function identity
No full textOn page 321 of his second notebook, Ramanujan recorded
1+6∑n=1∞(n3)qn1−qn=1f(−q13)(f3(−q43,−q53)−qf3(−q23,−q73)−q2f3(−q13,−q83)),
where f(−q)=q−124η(τ),
q=e2πiτ, img(τ)>0, and f(a, b) is a Ramanujan theta function. In this article, we deduce an interesting generalization of the above identity
Synthesis, spectroscopic and crystal structure studies of N-{3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfanyl)-1H-pyrazol-5-yl}-2,2,2-trifluoroacetamide
No full textThe structure of the title compound, C15H8N4Cl2F6OS, a phenylpyrazole-based insecticide related to ethiprole, fipronil, and derivatives thereof is presented. The pyrazole ring has four chemically diverse substituents, namely a nitrogen-bound 2,6-dichloro-4-trifluoromethylphenyl and carbon-bound cyano, ethylsulfanyl, and 2,2,2-trifluoroacetamide groups. The pyrazole and phenyl rings are perpendicular, subtending a dihedral angle of 89.80 (5)°. In the crystal, strong N—H⋯O hydrogen bonds link the molecules into chains that extend parallel to the a-axis
Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents
No full textExperimental and theoretical investigations of a novel compound, Orphenadrinium dihydrogen citrate (ODC) are reported. Wavenumbers are assigned by means of vibrational spectroscopy. The stability in solvents was tested by adding water, DMSO, and methanol to different solvent models. The solvation energies are −21.65 (acetone), –22.49 (DMSO) and –22.76 (water) kcal/mol and are found to be good solvents for the ODC. ODC is more compact within DMSO and not compact in water and methanol in the period of 100 ns. RMSF analysis shows destabilization of the protein. MD simulations were performed to calculate the radial distribution functions to identify the most critical interactions with water molecules. MD simulations were also applied to obtain the temperature dependence of density. Analyzing the electron density between all atoms, noncovalent interactions between fragments have been identified and quantized