74 research outputs found
An Open Clinical study on “Sooli Kanam” (Childhood Bronchial Asthma) in Children with the evaluation of Siddha Trial Drug Kana Nei
Operating Different Displays in Military Fast Jets Using Eye Gaze Tracker
This paper investigated the use of an eye-gaze-controlled interface in a military aviation environment. We set up a flight simulator and used the gaze-controlled interface in three different configurations of displays (head down, head up, and head mounted) for military fast jets. Our studies found that the gaze-controlled interface statistically significantly increased the speed of interaction for secondary mission control tasks compared to touchscreen- and joystick-based target designation system. Finally, we tested a gaze-controlled system inside an aircraft both on the ground and in different phases of flight with military pilots. Results showed that they could undertake representative pointing and selection tasks in less than two seconds, on average
DFT studies on role of methoxy group in radical scavenging ability of quebrachitol and viscumitol
The structure of quebrachitol and the influence of methoxy group on its radical scavenging ability is investigated by DFT studies. To study its electron donating ability, bond dissociation enthalpy (O-H BDE), frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) and molecular descriptors of quebrachitol and viscumitol are computed and compared. Charge delocalization and stability of the compounds are analyzed by natural bond orbital (NBO) method. The 4-OH radical of quebrachitol and 3-OH radical of viscumitol possess the least BDE and exhibit weak intramolecular hydrogen bonds which are clearly illustrated by NBO. The results show that quebrachitol, which has one methoxy group, can act as better radical scavenger than viscumitol having two methoxy groups at the same ring. The fundamental vibrational modes and wave numbers of quebrachitol are characterized theoretically based on potential energy distribution
DFT calculations of effective reactive sites of inositol
Computational investigation of the naturally occurring compound, inositol, is evaluated to find the most reactive site and also its electron donating ability. Structural and molecular characteristics of inositol are analyzed using DFT/B3LYP/ 6-311G(d.p). Radical 2-OH is found to be the appropriate reactive site for hydrogen abstraction which is supported by the computed values of bond dissociation enthalpy, HOMO-LUMO and molecular electrostatic potential. Molecular descriptors like ionization potential, electron affinity, hardness, softness, electronegativity and electrophilic index are also calculated. Natural bond orbital analysis is carried out to identify the strong and weak intramolecular hyperconjugative interactions.
DFT investigation of pachypodol for exploring anti-oxidant action – Performance of B3LYP and M06-2X
952-961Anti-oxidant mechanism of the pachypodol is computed with the aid of density functional theory (DFT) in the light of B3LYP (B3, Lee-Yang-Parr correlation function) and M06-2X (highly parameterized, exchange correlation function) using 6-311G(d,p) basis set in the Gaussian 09 software package. This investigation aims to prove the better reaction enthalpies among hydrogen atom transfer (HAT), sequential proton-loss electron-transfer (SPLET) and single electron transfer-proton transfer (SET-PT) in gas and solvent phases with both the level of theories (B3LYP and M06-2X). The result shows that the preferred anti-oxidant mechanism is found to be HAT in both gas and solvent phases. The analysis of bond dissociation enthalpy (BDE) has been carried out in gas and solvent phases. Molecular descriptors are analyzed and computed in the light of both the level of theories. The radical scavenging of pachypodol is well established with B3LYP theory, since it yields appreciable results with respect to BDE, IP and PDE than M06-2X level of theory. Fukui function of the compound is performed using both the level of theories and preferred electrophilic and nucleophilic sites of pachypodol are analyzed. The weak and strong intramolecular bonds are examined with the aid of NBO
Solar Energy Forecasting: Perspectives of the State-Of-The-Art
Solar energy is a promising renewable energy source, but its intermittent and variable nature poses significant challenges for accurate forecasting. Over the recent years, there has been a remarkable surge in research dedicated to improving the precision of solar energy forecasting models. This review article delves into the state-of-the-art in solar energy forecasting. Beginning with an exploration of the hurdles faced in forecasting solar radiation, we proceed to provide an extensive survey of various forecasting models that have been developed to tackle this complex problem. Factors influencing the accuracy of solar energy forecasts are discussed, and an insight into the future trends in solar energy forecasting is provided. Key areas of focus include machine learning techniques, artificial neural networks (ANNs), and support vector regression
A comprehensive report on GC-MS profiling, FTIR analysis and HPLC quantification of pharmaceutically vital metabolite thymoquinone from Nigella seeds
The present investigation aimed to gain insights into the structure of bioactive metabolic compounds in Nigella sativa L. seed oil. Initially, spectroscopic methods viz., GC-MS and FTIR were employed to determine functional groups, substituents, and conjugated double bonds in Nigella oil. GC-MS analysis identified 11 different amalgams, with p -cymene, ?-terpinene and ?-thujene being the major components. The FTIR spectrum revealed the presence of strong, sharp, and weak peaks, along with critical functional groups corresponding to C-H, O-H, C-C, C?N, and N-O, indicating the presence of pharmaceutically active constituents of the seed oil in the wavelength range of 400 – 4000 cm-1. HPLC analysis indicated that the percent composition of thymoquinone in the seed extract was reported as 0.90% at a wavelength of 254 nm. In the examined samples, thymoquinone and standard thymoquinone both showed a peak Rf value of 3.656. The study's findings revealed that thymoquinone is a potential phytochemical present in the oil. Furthermore, the identified biomolecules hold promise for use in pharmaceutical applications to enhance health standards
Chitosan/PLA nanoparticles as a novel carrier for the delivery of anthraquinone: Synthesis, characterization and in vitro cytotoxicity evaluation
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