Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesCrystal Growth Modeling and Characteristics of Antimony Selenide
English3031Karthikeyan R.English Bibin JohnEnglish A. G. KunjomanaEnglishCrystal growth is the process in which solids in disordered and irregular state culminate around an embryo forming a solid phase nucleus with regular and periodic structure. This phenomenon can be considered as a first order phase transition. Nucleation occurs due to the presence of a surface wall of an ampoule, foreign particles or an impurity component in a three dimensional manner. In order to grow the antimony selenide (Sb2Se3) bulk crystals, the Bridgman-Stockbarger method was employed. Generally, in melt growth methods, two possible types of interfaces occur, namely sharp and diffuse interface. The sharp interface is atomically flat whereas the diffuse interface is atomically rough. The perfection of the grown crystal depends on the type of interface during the liquid-solid transition phase. The critical energy of nucleation and subsequent growth was favored by the free energy of the interface (surface of the nucleus) and the driving force. In the present study, the liquid-solid interface was carefully optimized to obtain atomically smooth interface in order to increase the perfection of the grown crystals. The stoichiometric Sb2Se3 charge was kept in a specially designed quartz ampoule with tapered tip and was placed in the melt growth furnace under 720 °C and the ampoule was translated down at the rate of 4mm/h. The morphological investigations using optical microscopy of the obtained crystal disclosed the absence of imperfections on the surface. The chemical homogeneity of the melt grown Sb2Se3 crystal was assessed by Energy dispersive analysis by X-ray (EDAX) which revealed that the crystals were physically distinct with the right stoichiometric proportions corresponding to orthorhombic phase.
EnglishAntimony selenide, Nucleation, Liquid-solid transition, Imperfections and stoichiometryhttp://ijcrr.com/abstract.php?article_id=2558http://ijcrr.com/article_html.php?did=2558Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesAnalysis of Highest Occupied and Lowest Unoccupied Molecular Orbitsl on Harmaline
English3235RajalakshmiEnglish DivyaEnglishHarmaline belonging to a family of harmala is a fluorescent psychoactive indole alkaloid. The FTIR and FT-Raman spectra of Harmaline have been recorded in region 4000–400 cm-1 and 4,000–100 cm-1 respectively. The experimental frequencies recorded are compared with vibration frequencies calculated using Gaussian software by employing HF and DFT functional at B3LYP/6-31G(d,p) basis set. The electronic properties of the molecule have been studied by recording UV–Visible spectrum of the compound. Also, highest occupied (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been calculated at DFT/B3LYP/6-31 G (d,p) level. These calculations showed that there exists energy transfer in the molecule. Mulliken population analysis and thermodynamic properties of title compound have been analyzed and tabulated.
EnglishHarmaline, FTIR, FT-RAMAN, HF, DFT, HOMO-LUMOhttp://ijcrr.com/abstract.php?article_id=2559http://ijcrr.com/article_html.php?did=2559Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesMolecular Conformational Analysis, Vibrational Spectra, NBO, HOMO–LUMO and Molecular docking of Modafinil Based on Density Functional Theory
English3645G. Bharathy; Johanan Christian Prasana; S. MuthuEnglishModafinil is a wakefulness-promoting agent used for treatment of disorders such as narcolepsy, Sleep disorders and excessive daytime sleepiness associated with obstructive sleep apnea. It has also been seen widespread psychostimulant used as a purported cognition-enhancing agent. IR and FT-Raman spectrum of Modafinil was analyzed. The vibrational wavenumber were computed using Density Functional Theory. The data obtained from wavenumber calculations are used to assign the vibrational bands obtained in the IR and Raman spectrum. The bond length and bond angles of the title compound are computed. NBO analysis, HOMO–LUMO, first and second order hyperpolarizability and molecular electrostatic potential results are also reported. PASS analysis of the Modafinil predicts sleep disorders treatment, activity with Pa (probability to be active) value of 0.822. Molecular docking studies exhibit the posing of ligand with the protein.
EnglishDFT, HOMO energy, LUMO energy, Vibrational analysis, Hyperpolarisability, Dockinghttp://ijcrr.com/abstract.php?article_id=2560http://ijcrr.com/article_html.php?did=2560Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesProcessing and Characterization of Tin Chalcogenide Thin Films by Thermal Evaporation
English4648A. G. KunjomanaEnglish Bibin JohnEnglish Karthikeyan R.EnglishDue to the limitations of currently used materials like indirect band gap Si and Ge, binary and ternary compounds of high melting point, toxicity and scarcity of elements, there is a significant demand for alternate compound semiconductors towards energy harnessing applications. Tin selenide (SnSe), being a member of the IV-VI chalcogenide family, has gained wide attention due to its favorable physical properties such as direct band gap, high absorption coefficient and optimum melting temperature. Thin film deposition is intrinsically significant, because it offers a low temperature versatile process comprising low material consumption and provides large area module bearing tunable material properties compared to bulk counterparts. Therefore, special emphasis has been paid to prepare two dimensional SnSe thin film structures. In this regard, high pure (99.999%) Sn and Se elements were weighed in stoichiometric proportions and sealed in specially cleaned quartz ampoules. The ampoule containing the materials was heated in a muffle furnace and periodically rotated using a DC motor of 60 rpm, in order to forge the uniform SnSe precursor. Amorphous thin films have been deposited on glass substrates by thermal evaporation under high vacuum in room temperature using the stoichiometric SnSe charge. Optical microscopy (OM) and scanning electron microscopy (SEM) tools were employed to investigate the surface morphology of the prepared thin films. Systematic energy dispersive analysis by X-rays (EDAX) revealed the homogeneity and even distribution of Sn and Se in the samples. X-ray diffraction (XRD) studies were carried out to probe the atomic structure and quality. The grains were found distributed uniformly, without pinholes and the particle size has been enhanced upon controlled thermodynamic conditions.
EnglishTin chalcogenide, Thermal evaporation, Substrate temperature and grain sizehttp://ijcrr.com/abstract.php?article_id=2561http://ijcrr.com/article_html.php?did=2561Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesCobalt Ions Doped Bioactive Ceramics for Biosensor Biomedical Applications
English4952P. KurinjinathanEnglish K. Thanigai Arul and J. Ramana RamyaEnglishCobalt ions doped hydroxyapatite (Co-HAp) was synthesized by ultrasonication assisted co-precipitation route. The phase of HAp was confirmed by XRD analysis. The crystallite size of doped sample was reduced (28%). The functional groupsof HAp were confirmed by FTIR and Raman analysis. Cobalt ions doped samples were showed magnetic behavior. In addition, optical properties of the samples were also carried out. Hence, cobalt ions doped samples could be an excellent candidate in biosensor and biomedical fields.
EnglishBioceramics, Cobalt, Raman, Magnetichttp://ijcrr.com/abstract.php?article_id=2562http://ijcrr.com/article_html.php?did=2562Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesFT-IR, Acoustic, Thermodynamic and Docking Study of a Drug in a Peptide
English5358R. PadmavathyEnglish K. DhanalakshmiEnglish N. RadhaEnglishPeptides have a wide range of application in medicine and biotechnology. They regulate most physiological process, acting at some sites as endocrine or paracrine signals and at others as neurotransmitter or growth factors. Ultrasonic studies of solutions yield valuable information about the molecular interactions, the nature and strength of interactions since the ultrasonic velocity is highly sensitive to molecular structure. The ultrasonic velocity (U), density (ρ) and viscosity (h) measurements have been carried out for peptide with fixed concentration of the sulfa drug in non – aqueous solution of ternary mixture at different temperatures. Experimental data have been used to estimate the internal pressure (πi) and free volume (Vf). The results are discussed in terms of interionic/ intermolecular interaction.To study the biological activity of the investigation molecule, molecular docking was done to identify the hydrogen bond lengths and binding energy with different antimicrobial protein. In the present investigation, ternary system of peptide solutions are carried out and an attempt is made to corroborate the ultrasonic, antimicrobial and docking study.
EnglishUltrasonic velocity, Acoustical, Transport properties, Dockinghttp://ijcrr.com/abstract.php?article_id=2563http://ijcrr.com/article_html.php?did=2563Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesUV-Visible, Transport And Solvation Analysis of An Electrolyte AT 308.15K
English5963Padmavathy R.English Dhanalakshmi K.English Ishwarya S.English Radha N.EnglishThe present study elaborates the experimental details on the transport features and properties of peptide with electrolyte in non-aqueous solutions of different temperatures. The measured quantities are density, viscosity, ultrasonic velocity, conductivity, solvation number and thermodynamical parameters at different temperatures. The results are discussed in terms of solute-solute, solvent-solvent, solute-solvent interaction of electrolyte in non-aqueous solution. Agar well diffusion method showed appreciable antifungal activity against aspergillus Niger. An attempt is made to correlate the ultrasonic, spectroscopic and biological study of the sample at different temperatures.
EnglishUltrasonic velocity, Thermodynamic parameter, Solvation, Antimicrobial studyhttp://ijcrr.com/abstract.php?article_id=2564http://ijcrr.com/article_html.php?did=2564Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesAn Insight into the Stability Of 3’-(Trifluoromethyl) and 4’-(Trifluoromethyl) Acetophenones Through Molecular Geometry and Charge Transfer Analyses – A Comparative Study
English6469V. RagavendranEnglish S. Helen KumariEnglishThe optimized geometry, molecular stability, mulliken atomic charges and natural bond orbital analysis of the title compounds were obtained at DFT level for theory with complete relaxation in the potential energy surface using 6-311G** basis set. The global minimum energy obtained for the titled compounds was observed to be -722.1339 a.u. and -722.1333 a.u. respectively. The influence of substitution on the geometry of the molecule have been thoroughly investigated. The bonding capability of a molecule depends on the electronic charge on the chelating atoms. The reason for the stability of the molecules under investigation arising from intermolecular charge transfer that occurs within the molecule from bond pairs and lone pairs was also investigated from natural bond orbital analysis. The atomic charge values were obtained by mulliken population analysis for the titled compounds.
EnglishDFT, Mulliken charges, NBO, 3TFMA, 4TFMAhttp://ijcrr.com/abstract.php?article_id=2565http://ijcrr.com/article_html.php?did=2565Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesA New Digital Dynamic Visual Acuity Device: Experimental Study
English7074Mohammad Abdul SubhanEnglish Diwakar RaoEnglishVisual acuity is the spatial resolving capacity of the visual system. Dynamic Visual Acuity (DVA) defined as a very complex visual function that requires the observer to detect a moving target, to visually acquire it by eye movements, and to resolve critical details contained it, all in a relatively brief time exposure.
Aim: To create a low cost productive, portable and user friendly Digital Dynamic Visual Acuity (DDVA) Device and measure DVA.
Methodology: It is an experimental study in which there are two phases. First phase consist of creating the device and in second phase measuring the DVA in normal subjects using this device. The study was conducted between the time period of September 2017 to March 2018.First, the device was created using HTML, CSS and JAVASCRIPT language and the chart was designed and calibrated for 1 meter distance. 31 subject had undergone brief history was taken and undergone visual acuity, objective and subjective refraction. Then the Dynamic Visual Acuity was measured using this device.
Result: Total 31 subjects (age group between 17 to 28) had undergone Vision assessment and Dynamic Visual Acuity measurement using DDVA Device. There is a significant difference exists for mean static and dynamic values of decimal visual acuity (PEnglishDynamic visual acuity, Static visual acuity, HTML, CSS, JAVASRIPThttp://ijcrr.com/abstract.php?article_id=2566http://ijcrr.com/article_html.php?did=2566Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14HealthcareAn Objectively Used Device Designed to Measure Eye Movements
English7580Goyal A.English Pradhan P.EnglishIntroduction and Purpose: Eye movements essential for proper eye function include:
1. Smooth Pursuits – the ability to stabilize gaze and follow a moving object with the eyes accurately.
2. Saccades – the ability to move eyes accurately from one target to another. Saccades are necessary for tracking skills while reading or copying information. In order to process visual information properly, the eyes must move smoothly and quickly from one object to another.
3. Convergence/Divergence – the ability of the eyes to move inward/outward in order to focus on an object and keep it single as it moves near/far.
In oculomotor dysfunctions, a person may have difficulty reading. He may lose place while reading or repeat sentences. He may also have difficulty with balance, depth perception, sports, or hand eye coordination. Children suffering from autism spectrum disorder haveproblems with eye contact and also have eye movement disorders.
Currently validated procedures to measure oculomotor abilities require verbalization, cognition and comprehension on the part of the subject. This is done in the form of reading out the numerals/alphabets subjectively and or/ follow instructions of the examiner. This becomes difficult for subjects who are unable to communicate and comprehend. An objective, non-verbal software was designed to objectively evaluate the ocular movements.
Methods: Commercial Tobii eye tracker was used with a software (developed to objectively measure ocular movements). This was validated against NSUCO, which is a validated procedure. NSUCO, however requires understanding and comprehension.
Results: The equipment was designedand validated against NSUCO. It was found to correlate well with it. Repeatability, inter and intra observer reliability was tested and found to be good.
Conclusion: Thenew equipment allows an eye care professional to objectively and quantitatively evaluate eye movements innon-communicating individuals.
EnglishPursuits, Saccades, Tracker, Oculomotor dysfunction, NSUCOhttp://ijcrr.com/abstract.php?article_id=2567http://ijcrr.com/article_html.php?did=2567Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesThermal and Acoustical Studies of CuO Nanofluids
English8185Rashmi M.English Venkatramanan K.English Shammuganandam T. D.English Padmanaban R.EnglishCopper oxide nanoparticles are used in the synthesis of CuO nanofluids for increasing the thermal conductivity of nanofluids. The method of preparation of nanofluids in stable form is of much significant in the field of nanofluid and its application. In this present work, CuO nanoparticles (particle size: 40 nm) are dispersed in double distilled water and nanofluids are prepared at ten different concentration (0.2% - 2.0%) in steps of 0.2 at room temperature. Viscosity studies are carried out at different temperatures (303K, 308K, 313K & 318K) for the prepared nanofluids. From the experimental values, the activation energy is calculated and ultrasonic velocity, density, refractive index and thermal conductivity studies are performed at room temperature. Various molecular interaction parameters are determined to analyze the nature of molecular interaction in the sample taken for study.
EnglishActivation Energy, Molecular Interaction Parameters, Cuo Nanofluids, Ultrasonic Velocity, Thermal Conductivityhttp://ijcrr.com/abstract.php?article_id=2568http://ijcrr.com/article_html.php?did=2568Radiance Research AcademyInternational Journal of Current Research and Review2231-21960975-524110EnglishN2018November14General SciencesGrowth and Characterization of Dye Doped Butylated Hydroxy Toluene (BHT) Single Crystal
English8690R. RajaEnglish S. SeshadriEnglish V. SanthanamEnglishOrganic Non- linear optical single crystals with the second harmonic generation values are useful in optical communication and signal processing in integrated optics. Rhodamine is a dye, an organic molecule well-studied in laser physics and nonlinear optics for its fluorescent properties. In the present work, a new organic rhodamine dye doped Butylated hydroxy toluene (DBHT) single crystals were grown by slow evaporation technique. The lattice parameters of the grown crystals are found from single crystal XRD analysis. The FT-IR analysis confirms the presence of various functional groups available in DBHT. The dielectric analysis can be used to find the electrical properties of DBHT single crystal as a function of temperature and frequency. The optical studies carried out reveal that the DBHT crystals exhibit good optical quality and possible NLO applications. The thermal and mechanical stability of the crystal is studied by TG/DTA analysis and Vicker’s microhardness test.
EnglishNLO, XRD, Hardness studieshttp://ijcrr.com/abstract.php?article_id=2569http://ijcrr.com/article_html.php?did=2569