Daniel Sweetlin | Midlands State University (original) (raw)
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Papers by Daniel Sweetlin
Journal of Molecular Structure, 2019
The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid us... more The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid using FT-IR and FT-Raman spectroscopy. The computations were performed at DFT level of theory to get the optimized geometry and vibrational wave numbers of the normal modes of the title compound using Gaussian software. The detailed vibrational assignments were proposed on the basis of potential energy distribution. The calculated HOMO and LUMO energies show chemical activity of the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The hyperpolarizability values are also reported. From the MEP plot, the negative electrostatic potential regions are mainly localized over the oxygen atoms and the positive regions are localized over all the hydrogen atoms. Fukui functions are calculated to find the possible sites for electrophilic and nucleophilic attack.
AIP Conference Proceedings, 2011
Aims and Objectives: To study benefit of videonystagmography in confirmation of canalolith reposi... more Aims and Objectives: To study benefit of videonystagmography in confirmation of canalolith repositioning in patients with Benign Paroxysmal Positional Vertigo after Epley's manouver. Study Design: Prospective study of 35 cases of BPPV. Materials and Method: 35 patients of BPPV presenting at vertigo clinic of ENT department at Civil Hospital Ahmedabad were treated with canalolith repositioning procedure and improvement in nystagmus was studied and confirmed by VNG. Observation: 31 patients out of 35 patients were improved with 1 st CRP, 2 out of 3 patients improved with 2 nd CRP and 1 patient improved with 3 rd CRP. This improvement is confirmed using VNG. Conclusion: Videonystagmography is a very useful tool for ensuring the otolith repositioning by the canalith repositioning manouver. It is a confirmatory adjunct to visual analysis.
![Research paper thumbnail of Poly[μ 3 -β-alanine-aqua-μ 4 -sulfato-dilithium]](https://attachments.academia-assets.com/86971719/thumbnails/1.jpg)
](Acta Crystallographica Section E Structure Reports Online, 2012
metal-organic compounds m206 Sweetlin et al.
Optik, 2019
In this work, FT-IR, FT-Raman and UV–vis spectra of 1 Phenyl Isatin (1PHISA) were carried out by ... more In this work, FT-IR, FT-Raman and UV–vis spectra of 1 Phenyl Isatin (1PHISA) were carried out by using HF/6-31++G(d,p) and DFT/B3LYP method with 6-31++G(d,p),6-311++G(d,p) basis sets. The geometric parameters and wavenumbers were obtained and the complete assignments of fundamental vibrations were performed on the basis of potential energy distribution (PED) of the vibrational mode, calculated with scaled quantum mechanics (SQM) method. The hyper conjugative interaction leading to the stability of the molecule and delocalization of charge has been analyzed with natural bond analysis (NBO). HOMO-LUMO energy calculations show the charge transfer within the molecule. Molecular electrostatic potential, hyper polarizability calculations and thermodynamic functions of the compound were also calculated. The biological applications of 1PHISA have been screened out for antimicrobial activity such as antibacterial and antifungal activities. Molecular docking studies were also carried out for ...
Journal of the Korean Physical Society, 2016
In this paper, we present a numerical investigation on the robust synchronization phenomenon obse... more In this paper, we present a numerical investigation on the robust synchronization phenomenon observed in a unidirectionally-coupled quasiperiodically-forced simple nonlinear electronic circuit system exhibiting strange non-chaotic attractors (SNAs) in its dynamics. The SNA obtained in the simple quasiperiodic system is characterized for its SNA behavior. Then, we studied the nature of the synchronized state in unidirectionally coupled SNAs by using the Master-Slave approach. The stability of the synchronized state is studied through the master stability functions (MSF) obtained for coupling different state variables of the drive and response system. The property of robust synchronization is analyzed for one type of coupling of the state variables through phase portraits, conditional lyapunov exponents and the Kaplan-Yorke dimension. The phenomenon of complete synchronization of SNAs via a unidirectional coupling scheme is reported for the first time.
Abstract: Single crystals of L-threonine doped ammonium ferrous sulfate (LTAFS) were grown by sol... more Abstract: Single crystals of L-threonine doped ammonium ferrous sulfate (LTAFS) were grown by solution method. Solubility of the grown crystal was measured at different temperatures. The lattice constants of the grown LTAFS crystal were evaluated by single crystal XRD method. The molecular groups of the sample were found by FTIR analysis. Microhardness and work hardening coefficient were estimated for the grown crystal of LTAFS. UV-visible spectral studies were carried out for LTAFS crystal and the linear optical parameters like transmittance, absorbance, band gap, absorption coefficient and extinction coefficient for the crystal of LTAFS were estimated and the results were analyzed.
In this work, FT-IR and FT-Raman spectra of 2 acetylamino -5-bromo 4 methyl pyridine were carried... more In this work, FT-IR and FT-Raman spectra of 2 acetylamino -5-bromo 4 methyl pyridine were carried out by using DFT/B3LYP method with 6-311++G(d,p) basis set. The geometric parameters and wave numbers were obtained and the complete assignments of fundamental vibrations were performed on the basis of potential energy distribution (PED) of the vibrational mode, calculated with scaled quantum mechanics (SQM) method. Stability of the molecule arising from the hyper conjugative interaction and charge delocalization has been analyzed with natural bond analysis (NBO). HOMO-LUMO energy calculations have shown the charge transfer within the molecule. Biological activity of the title compound is confirmed from the molecular docking study. Electrophilic and nucleophilic interactions were predicted from the Fukui function calculations.
In the present work, the organic/ inorganic core/shell nanocomposite was prepared by facile chemi... more In the present work, the organic/ inorganic core/shell nanocomposite was prepared by facile chemical polymerization. The core Tin Oxide (SnO2) nanoparticles were prepared by a simple chemical route. The shell material Polypyrrole (PPy) was synthesized by the chemical polymerization method. In this technique, calculated amount of as prepared core materials were added to the monomer. Then ammonium persulphate added to the solution as an oxidant. Thus the SnO2/Polypyrrole core/shell nanocomposite formed. All the synthesis process maintained at low temperature bath to increase the conductivity of the samples. XRD studies reveal that the average grain size of SnO2 and SnO2/PPy was 25 nm and 29 nm respectively using Scherrer formula. Fourier Transform Infrared spectroscopy studies confirmed the presence of polypyrrole and metal oxide SnO2. Optical band gap energies were calculated using UV–Visible spectroscopy. Absorbance of core materials was 301 nm. When the core coated by the shell pol...
Journal of Molecular Structure
Abstract The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoi... more Abstract The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid using FT-IR and FT-Raman spectroscopy. The computations were performed at DFT level of theory to get the optimized geometry and vibrational wave numbers of the normal modes of the title compound using Gaussian software. The detailed vibrational assignments were proposed on the basis of potential energy distribution. The calculated HOMO and LUMO energies show chemical activity of the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The hyperpolarizability values are also reported. From the MEP plot, the negative electrostatic potential regions are mainly localized over the oxygen atoms and the positive regions are localized over all the hydrogen atoms. Fukui functions are calculated to find the possible sites for electrophilic and nucleophilic attack.
Volume 5, Issue 2
Many challenges of core/shell nanostructures for various applications still exist. The structure ... more Many challenges of core/shell nanostructures for various applications still exist. The structure including the diameter, length, spacing and the thickness of the core or shell is difficult to control precisely. Metal nanoparticles used as various types of catalysts adsorbents and sensors. They have applications in optical, electronic and magnetic devices. Majority of these applications significantly depend on the size of the nanoparticles. Therefore, the synthesis of nanoparticles with controlled grain size is important. In the present work, Cadmium sulfide (CdS) was used as the core material which coated by the polypyrrole (PPy). To form the core and the shell set, the diameter fixed and measured theoretically. The calculated amount is used to prepare the shell which is formed by addition polymerization. The XRD studies are used to determine the particle size of the core shell nanocomposite. The average particle size of CdS and CdS/PPy is 13 nm and 15 nm respectively. Fourier transform infrared (FTIR) spectra and UV-Vis spectra are used to characterize the structure and to calculate the band gap of the core/shell nanocomposite. The AFM studies give the surface morphology of the samples.
In this paper we present numerical and analytical studies on the complete synchronization phenome... more In this paper we present numerical and analytical studies on the complete synchronization phenomena exhibited by unidirectionally coupled two variant of Murali-Lakshmanan-Chua circuits. The transition of the coupled system from an unsynchronized state to a state of complete synchronization under the influence of the coupling parameter is observed through phase portraits obtained numerically and analytically.
Journal of Molecular Structure, 2019
The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid us... more The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid using FT-IR and FT-Raman spectroscopy. The computations were performed at DFT level of theory to get the optimized geometry and vibrational wave numbers of the normal modes of the title compound using Gaussian software. The detailed vibrational assignments were proposed on the basis of potential energy distribution. The calculated HOMO and LUMO energies show chemical activity of the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The hyperpolarizability values are also reported. From the MEP plot, the negative electrostatic potential regions are mainly localized over the oxygen atoms and the positive regions are localized over all the hydrogen atoms. Fukui functions are calculated to find the possible sites for electrophilic and nucleophilic attack.
AIP Conference Proceedings, 2011
Aims and Objectives: To study benefit of videonystagmography in confirmation of canalolith reposi... more Aims and Objectives: To study benefit of videonystagmography in confirmation of canalolith repositioning in patients with Benign Paroxysmal Positional Vertigo after Epley's manouver. Study Design: Prospective study of 35 cases of BPPV. Materials and Method: 35 patients of BPPV presenting at vertigo clinic of ENT department at Civil Hospital Ahmedabad were treated with canalolith repositioning procedure and improvement in nystagmus was studied and confirmed by VNG. Observation: 31 patients out of 35 patients were improved with 1 st CRP, 2 out of 3 patients improved with 2 nd CRP and 1 patient improved with 3 rd CRP. This improvement is confirmed using VNG. Conclusion: Videonystagmography is a very useful tool for ensuring the otolith repositioning by the canalith repositioning manouver. It is a confirmatory adjunct to visual analysis.
Acta Crystallographica Section E Structure Reports Online, 2012
metal-organic compounds m206 Sweetlin et al.
Optik, 2019
In this work, FT-IR, FT-Raman and UV–vis spectra of 1 Phenyl Isatin (1PHISA) were carried out by ... more In this work, FT-IR, FT-Raman and UV–vis spectra of 1 Phenyl Isatin (1PHISA) were carried out by using HF/6-31++G(d,p) and DFT/B3LYP method with 6-31++G(d,p),6-311++G(d,p) basis sets. The geometric parameters and wavenumbers were obtained and the complete assignments of fundamental vibrations were performed on the basis of potential energy distribution (PED) of the vibrational mode, calculated with scaled quantum mechanics (SQM) method. The hyper conjugative interaction leading to the stability of the molecule and delocalization of charge has been analyzed with natural bond analysis (NBO). HOMO-LUMO energy calculations show the charge transfer within the molecule. Molecular electrostatic potential, hyper polarizability calculations and thermodynamic functions of the compound were also calculated. The biological applications of 1PHISA have been screened out for antimicrobial activity such as antibacterial and antifungal activities. Molecular docking studies were also carried out for ...
Journal of the Korean Physical Society, 2016
In this paper, we present a numerical investigation on the robust synchronization phenomenon obse... more In this paper, we present a numerical investigation on the robust synchronization phenomenon observed in a unidirectionally-coupled quasiperiodically-forced simple nonlinear electronic circuit system exhibiting strange non-chaotic attractors (SNAs) in its dynamics. The SNA obtained in the simple quasiperiodic system is characterized for its SNA behavior. Then, we studied the nature of the synchronized state in unidirectionally coupled SNAs by using the Master-Slave approach. The stability of the synchronized state is studied through the master stability functions (MSF) obtained for coupling different state variables of the drive and response system. The property of robust synchronization is analyzed for one type of coupling of the state variables through phase portraits, conditional lyapunov exponents and the Kaplan-Yorke dimension. The phenomenon of complete synchronization of SNAs via a unidirectional coupling scheme is reported for the first time.
Abstract: Single crystals of L-threonine doped ammonium ferrous sulfate (LTAFS) were grown by sol... more Abstract: Single crystals of L-threonine doped ammonium ferrous sulfate (LTAFS) were grown by solution method. Solubility of the grown crystal was measured at different temperatures. The lattice constants of the grown LTAFS crystal were evaluated by single crystal XRD method. The molecular groups of the sample were found by FTIR analysis. Microhardness and work hardening coefficient were estimated for the grown crystal of LTAFS. UV-visible spectral studies were carried out for LTAFS crystal and the linear optical parameters like transmittance, absorbance, band gap, absorption coefficient and extinction coefficient for the crystal of LTAFS were estimated and the results were analyzed.
In this work, FT-IR and FT-Raman spectra of 2 acetylamino -5-bromo 4 methyl pyridine were carried... more In this work, FT-IR and FT-Raman spectra of 2 acetylamino -5-bromo 4 methyl pyridine were carried out by using DFT/B3LYP method with 6-311++G(d,p) basis set. The geometric parameters and wave numbers were obtained and the complete assignments of fundamental vibrations were performed on the basis of potential energy distribution (PED) of the vibrational mode, calculated with scaled quantum mechanics (SQM) method. Stability of the molecule arising from the hyper conjugative interaction and charge delocalization has been analyzed with natural bond analysis (NBO). HOMO-LUMO energy calculations have shown the charge transfer within the molecule. Biological activity of the title compound is confirmed from the molecular docking study. Electrophilic and nucleophilic interactions were predicted from the Fukui function calculations.
In the present work, the organic/ inorganic core/shell nanocomposite was prepared by facile chemi... more In the present work, the organic/ inorganic core/shell nanocomposite was prepared by facile chemical polymerization. The core Tin Oxide (SnO2) nanoparticles were prepared by a simple chemical route. The shell material Polypyrrole (PPy) was synthesized by the chemical polymerization method. In this technique, calculated amount of as prepared core materials were added to the monomer. Then ammonium persulphate added to the solution as an oxidant. Thus the SnO2/Polypyrrole core/shell nanocomposite formed. All the synthesis process maintained at low temperature bath to increase the conductivity of the samples. XRD studies reveal that the average grain size of SnO2 and SnO2/PPy was 25 nm and 29 nm respectively using Scherrer formula. Fourier Transform Infrared spectroscopy studies confirmed the presence of polypyrrole and metal oxide SnO2. Optical band gap energies were calculated using UV–Visible spectroscopy. Absorbance of core materials was 301 nm. When the core coated by the shell pol...
Journal of Molecular Structure
Abstract The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoi... more Abstract The work involves the vibrational spectral analysis of 2.6 bis (tri fluro methyl) benzoic acid using FT-IR and FT-Raman spectroscopy. The computations were performed at DFT level of theory to get the optimized geometry and vibrational wave numbers of the normal modes of the title compound using Gaussian software. The detailed vibrational assignments were proposed on the basis of potential energy distribution. The calculated HOMO and LUMO energies show chemical activity of the molecule. The stability of the molecule arising from hyper-conjugative interaction and charge delocalization has been analyzed using NBO analysis. The hyperpolarizability values are also reported. From the MEP plot, the negative electrostatic potential regions are mainly localized over the oxygen atoms and the positive regions are localized over all the hydrogen atoms. Fukui functions are calculated to find the possible sites for electrophilic and nucleophilic attack.
Volume 5, Issue 2
Many challenges of core/shell nanostructures for various applications still exist. The structure ... more Many challenges of core/shell nanostructures for various applications still exist. The structure including the diameter, length, spacing and the thickness of the core or shell is difficult to control precisely. Metal nanoparticles used as various types of catalysts adsorbents and sensors. They have applications in optical, electronic and magnetic devices. Majority of these applications significantly depend on the size of the nanoparticles. Therefore, the synthesis of nanoparticles with controlled grain size is important. In the present work, Cadmium sulfide (CdS) was used as the core material which coated by the polypyrrole (PPy). To form the core and the shell set, the diameter fixed and measured theoretically. The calculated amount is used to prepare the shell which is formed by addition polymerization. The XRD studies are used to determine the particle size of the core shell nanocomposite. The average particle size of CdS and CdS/PPy is 13 nm and 15 nm respectively. Fourier transform infrared (FTIR) spectra and UV-Vis spectra are used to characterize the structure and to calculate the band gap of the core/shell nanocomposite. The AFM studies give the surface morphology of the samples.
In this paper we present numerical and analytical studies on the complete synchronization phenome... more In this paper we present numerical and analytical studies on the complete synchronization phenomena exhibited by unidirectionally coupled two variant of Murali-Lakshmanan-Chua circuits. The transition of the coupled system from an unsynchronized state to a state of complete synchronization under the influence of the coupling parameter is observed through phase portraits obtained numerically and analytically.