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Title: Conformational Masking in HIV-1.
Creator: Goordeen, Ashley, Snyder, Patricia Ann
Abstract/Description: Molecular modeling enables an individual to explore the nature of various molecules and the interaction between molecules using only a computer and their fingertips. This computer technology is an expanding field and has a plethora of applications ranging from teaching to the design of new drugs. Molecular modeling allows studying through calculation and visualization of molecular systems varying in size from minute chemical systems to hefty biological ones. The system analyzed in this study...
Show moreMolecular modeling enables an individual to explore the nature of various molecules and the interaction between molecules using only a computer and their fingertips. This computer technology is an expanding field and has a plethora of applications ranging from teaching to the design of new drugs. Molecular modeling allows studying through calculation and visualization of molecular systems varying in size from minute chemical systems to hefty biological ones. The system analyzed in this study is that of gp120, the envelope glycoprotein on HIV-1 essential for viral entry into cells. HIV-1’s invasive success can be attributed to its ability to conformationally mask itself from the immune system. It achieves this because of the highly glycosylated surface of gp120. Using HyperChem Release 7, Visual Molecular Dynamics (VMD) 1.9.1, and NAMD 2.9, the glycosylated surface of gp120 and its molecular dynamics were examined to confirm its effectiveness.
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Date Issued: 2014
PURL: http://purl.flvc.org/fau/fd/FA0005020
Subject Headings: College students --Research --United States.
Format: Document (PDF)

Title: Atom distance and interaction between DNA and acetylated histone tails.
Creator: Goordeen, Victoria, Snyder, Patricia Ann
Date Issued: 2013-04-05
PURL: http://purl.flvc.org/fcla/dt/3361087
Subject Headings: Transcription, Genetic, Histones, DNA
Format: Document (PDF)

Title: Molecular modeling and dynamics of sphinogomyelin phosphodiesterase D LISicTox-alphalll1i.
Creator: Jordan, Autumn, Snyder, Patricia Ann
Date Issued: 2013-04-05
PURL: http://purl.flvc.org/fcla/dt/3361099
Subject Headings: Molecular models, Molecules--Models--Computer simulation, Computational chemistry
Format: Document (PDF)

Title: Impact of Glutamate In Amyotrophic Lateral Sclerosis (ALS).
Creator: Maldonado, Dianabell, Jaiprashad, Rajesh, Snyder, Patricia Ann, Office of Undergraduate Research and Inquiry
Abstract/Description: Amyotrophic Lateral Sclerosis (ALS) is a neurodegenerative disease afflicting the global population. This disease affects motor neuron nerve cells located in the brain, brainstem, and spinal cord that serve as controlling units and communication points between the nervous system and the muscles of the body. In ALS, both the upper motor neurons, in the brain, and the lower motor neurons, in the spinal cord, degenerate or die; thus ceasing transmission. The cause of this disease is still under...
Show moreAmyotrophic Lateral Sclerosis (ALS) is a neurodegenerative disease afflicting the global population. This disease affects motor neuron nerve cells located in the brain, brainstem, and spinal cord that serve as controlling units and communication points between the nervous system and the muscles of the body. In ALS, both the upper motor neurons, in the brain, and the lower motor neurons, in the spinal cord, degenerate or die; thus ceasing transmission. The cause of this disease is still under investigation. Here in, it is hypothesized that ALS engenders from the over excitation of motor nerve cells due to an excess of the amino acid, glutamate, the principal neurotransmitter in the brain. Therefore, an investigation into the properties of the neurotransmitter glutamate, which could be the potential cause of this neurodegenerative disease, will help elucidate the role of this amino acid in ALS.
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Date Issued: 2016
PURL: http://purl.flvc.org/fau/fd/FA00005577
Subject Headings: College students --Research --United States.
Format: Document (PDF)

Title: An Experimental and Theoretical Investigation of the Excited States of Isobutene.
Creator: McLachlan, Jeffrey, Snyder, Patricia Ann, Office of Undergraduate Research and Inquiry
Abstract/Description: Vacuum ultraviolet magnetic circular dichroism (MCD) and absorption spectra of isobutene were obtained experimentally and compared to theoretical data (DFT calculation with Gaussian software) with the goal of better understanding the electronic structure of simple olefins. MCD is the differential absorption of left and right circular polarized light in the presence of an external magnetic field. This means that a MCD spectrum contains both positive and negative peaks while an absorbance...
Show moreVacuum ultraviolet magnetic circular dichroism (MCD) and absorption spectra of isobutene were obtained experimentally and compared to theoretical data (DFT calculation with Gaussian software) with the goal of better understanding the electronic structure of simple olefins. MCD is the differential absorption of left and right circular polarized light in the presence of an external magnetic field. This means that a MCD spectrum contains both positive and negative peaks while an absorbance spectrum contains only positive peaks. MCD is useful when used in conjunction with a corresponding absorbance spectrum to assign spectral bands that may have been hidden by overlap in the absorbance spectrum. The experimental and theoretical results coincide with the two lowest energy transitions of isobutene being assigned as [...]. This is also consistent with what has been observed in ethylene and propylene, π→π^* is not the lowest transition in mono-olefins.
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Date Issued: 2016
PURL: http://purl.flvc.org/fau/fd/FA00005589
Subject Headings: College students --Research --United States.
Format: Document (PDF)

Title: Partial theoretical calculation of the circular dichroism of (S)-(-)-2-methyl-1-butanol in vacuum ultraviolet.
Creator: Ho, Shiow Huey, Florida Atlantic University, Snyder, Patricia Ann
Abstract/Description: Initial calculations of the rotational strengths for the first two transitions of (S)-(-)-2-methyl-1-butanol have been carried out using an independent systems theory approach. The theoretical rotational strengths are computed using three different values of bond polarizability. These calculated rotational strengths are compared to the experimentally measured values. The assignment of the transitions does not depend on which polarizability is used. The results are consistent with the...
Show moreInitial calculations of the rotational strengths for the first two transitions of (S)-(-)-2-methyl-1-butanol have been carried out using an independent systems theory approach. The theoretical rotational strengths are computed using three different values of bond polarizability. These calculated rotational strengths are compared to the experimentally measured values. The assignment of the transitions does not depend on which polarizability is used. The results are consistent with the assignment of the first two electronic transitions in simple alcohols as n-sigma OH*, and n-sigma CO*.
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Date Issued: 1990
PURL: http://purl.flvc.org/fcla/dt/14669
Subject Headings: Circular dichroism, Butanol--Molecular rotation
Format: Document (PDF)

Title: Initial investigation of the electronic structure of propylene using magnetic circular dichroism with synchrotron radiation in the vacuum ultraviolet region.
Creator: Boulos, Michael M., Florida Atlantic University, Snyder, Patricia Ann
Abstract/Description: This research is a preliminary investigation into the electronic transitions of Propylene. This investigation will concentrate on understanding the techniques for smoothing and calculating Gaussian fits for the experimental data. This will include knowledge of the symmetry operations for the propylene molecule and the "allowed" electronic transitions for further application to the propylene spectrum in the vacuum ultraviolet. Understanding the symmetry of the molecule and the observed...
Show moreThis research is a preliminary investigation into the electronic transitions of Propylene. This investigation will concentrate on understanding the techniques for smoothing and calculating Gaussian fits for the experimental data. This will include knowledge of the symmetry operations for the propylene molecule and the "allowed" electronic transitions for further application to the propylene spectrum in the vacuum ultraviolet. Understanding the symmetry of the molecule and the observed absorption and magnetic circular dichroism spectra is necessary for later labeling the electronic transitions.
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Date Issued: 2003
PURL: http://purl.flvc.org/fcla/dt/13061
Subject Headings: Propene, Magnetic circular dichroism, Electronic structure, Far ultraviolet radiation
Format: Document (PDF)

Title: The vacuum ultraviolet magnetic circular dichroism of propylene: Elucidation of the electronic structure of propylene.
Creator: Atanasova, Sylvia T., Florida Atlantic University, Snyder, Patricia Ann
Abstract/Description: The purpose of this research is to investigate the electronic structure of propylene. The vacuum-ultraviolet absorption and magnetic circular dichroism (MCD) spectra of propylene were obtained by Professor Snyder at the National Synchrotron Radiation Center. The absorption and MCD spectra are presented in the region 52 000--77 000 cm-1. The spectra were examined in detail in the pi → pi* region from 52 000 cm-1 to 58766 cm-1. The MCD provides unique information about the electronic structure...
Show moreThe purpose of this research is to investigate the electronic structure of propylene. The vacuum-ultraviolet absorption and magnetic circular dichroism (MCD) spectra of propylene were obtained by Professor Snyder at the National Synchrotron Radiation Center. The absorption and MCD spectra are presented in the region 52 000--77 000 cm-1. The spectra were examined in detail in the pi → pi* region from 52 000 cm-1 to 58766 cm-1. The MCD provides unique information about the electronic structure of a molecule. The MCD spectrum clearly showed that there are at least three electronic transitions in the pi → pi* region of the propylene spectrum. The presently proposed assignments for these transitions are pi → 3s, pi → pi*, and pi → 3p. The first step in the vibrational analysis, which may aid in the assignments of the electronic transitions, was carried out. A theoretical calculation of the normal vibrational modes of ethylene and propylene has been done using Hyperchem software.
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Date Issued: 2002
PURL: http://purl.flvc.org/fcla/dt/12875
Subject Headings: Magnetic circular dichroism, Propene, Vibrational spectra
Format: Document (PDF)

Title: Rydberg excitations of benzene using magnetic circular dichroism with synchrotron radiation from 8.41 to 8.33 eV.
Creator: Munger, Robert C., Florida Atlantic University, Snyder, Patricia Ann
Abstract/Description: This research is devoted in part to investigating the electronic structure of benzene, which will help to provide a foundation for understanding its behavior. Absorption and magnetic circular dichroism (MCD) data were collected for benzene and deuterated benzene in the vacuum ultraviolet region of the electromagnetic spectrum from 67,870 cm^-1 to 67,155 cm^-1 (8.415 eV to 8.326 eV). MCD data, when considered along with absorption data, gives information about the symmetry designations of...
Show moreThis research is devoted in part to investigating the electronic structure of benzene, which will help to provide a foundation for understanding its behavior. Absorption and magnetic circular dichroism (MCD) data were collected for benzene and deuterated benzene in the vacuum ultraviolet region of the electromagnetic spectrum from 67,870 cm^-1 to 67,155 cm^-1 (8.415 eV to 8.326 eV). MCD data, when considered along with absorption data, gives information about the symmetry designations of electronic transitions. It is concluded that benzene and deuterated benzene each show transitions to pz-type and several f-type Rydberg orbitals in this spectral range. In addition, several Fortran computer programs have been developed to aid in the determination of these orbital symmetries.
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Date Issued: 1995
PURL: http://purl.flvc.org/fcla/dt/15150
Subject Headings: Benzene--Structure, Rydberg states, Electronic structure
Format: Document (PDF)

FAU Undergraduate Student Research (5)	+ -
FAU Theses and Dissertations (4)	+ -

College students --Research --United States. (3)	+ -
Electronic structure (2)	+ -
Magnetic circular dichroism (2)	+ -
Propene (2)	+ -
Benzene--Structure (1)	+ -

Butanol--Molecular rotation (1)	+ -
Circular dichroism (1)	+ -
Computational chemistry (1)	+ -
DNA (1)	+ -
Far ultraviolet radiation (1)	+ -
Histones (1)	+ -
Molecular models (1)	+ -
Molecules--Models--Computer simulation (1)	+ -
Rydberg states (1)	+ -
Transcription, Genetic (1)	+ -
Vibrational spectra (1)	+ -

poster (5)	+ -
Electronic Thesis or Dissertation (4)	+ -

Snyder, Patricia Ann (9)	+ -
Florida Atlantic University (4)	+ -
Office of Undergraduate Research and Inquiry (2)	+ -
Atanasova, Sylvia T. (1)	+ -
Boulos, Michael M. (1)	+ -

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