Biophysics Commons^™

A Balanced Approach To Adaptive Probability Density Estimation, Julio Kovacs, Cailee Helmick, Willy Wriggers

Mechanical & Aerospace Engineering Faculty Publications

Our development of a Fast (Mutual) Information Matching (FIM) of molecular dynamics time series data led us to the general problem of how to accurately estimate the probability density function of a random variable, especially in cases of very uneven samples. Here, we propose a novel Balanced Adaptive Density Estimation (BADE) method that effectively optimizes the amount of smoothing at each point. To do this, BADE relies on an efficient nearest-neighbor search which results in good scaling for large data sizes. Our tests on simulated data show that BADE exhibits equal or better accuracy than existing methods, and visual tests …

Chloride And Proton Binding In The E. Coli 2cl¯:1h+ Clc Exchanger, Catherine Chenal

Dissertations, Theses, and Capstone Projects

The CLC family of membrane proteins is a ubiquitously expressed class of proton and usually voltage-activated chloride transporters involved in a myriad of physiological functions. Crystallographic structures identify up to three chloride binding sites: external, central and intracellular located in the inner half of the trans-membrane domain. The CLC proteins, except for the kidney isoforms, are gated by the extracellular side-facing gating Glutamate (Ex, E148 in CLC-ec1, the E. coli exchanger), which is thought to undergo a conformational change upon protonation.

To sort out how the thermodynamic paths to H+ coupled Cl¯ binding and conformational change in CLC-ec1 at the …

Micro-Spectroscopy Of Bio-Assemblies At The Single Cell Level, Jeslin Kera

Honors Undergraduate Theses

In this thesis, we investigate biological molecules on a micron scale in the ultraviolet spectral region through the non-destructive confocal absorption microscopy. The setup involves a combination of confocal microscope with a UV light excitation beam to measure the optical absorption spectra with spatial resolution of 1.4 μm in the lateral and 3.6 μm in the axial direction. Confocal absorption microscopy has the benefits of requiring no labels and only low light intensity for excitation while providing a strong signal from the contrast generated by the attenuation of propagating light due to absorption. This enables spatially resolved measurements of single …

Preliminary Results On Organization On The Court, Physical And Technical Performance Of Brazilian Professional Futsal Players: Comparison Between Friendly Pre-Season And Official Match, Luiz Henrique Palucci Vieira, Sera N. Doğramaci, Ricardo Augusto Barbieri, Fabio Milioni, Felipe Arruda Moura, Vitor Luiz De Andrade, Guilherme Manna Cesar, Paulo Roberto Pereira Santiago

Athletic Performance Research

The main aim of this study was to verify possible differences between a friendly pre-season match (FM) and an official in-season match (OM) regarding physical, technical, and organizational performances of a professional Brazilian futsal team. Ten professional futsal athletes participated in this study. The matches were monitored with video cameras (30 Hz) and athlete trajectories obtained with automatic tracking. The values obtained for distance covered per minute, percentage of distance covered at moderate intensity, team coverage area, spread, passes, possessions, ball touches and successful passes per minute were greater for the OM than FM. On the contrary, percentage of distance …

Biophysical Studies Of The Allosteric Regulatory Mechanism Of Syk Tandem Sh2 Domains Interacting With Immunoreceptor Tyrosine-Based Activation Motifs, Chao Feng

Open Access Dissertations

The non-receptor spleen tyrosine kinase (Syk) is an important player in signal transduction from immunoreceptors to various downstream targets. It is widely expressed in both haematopoietic and epithelial cells. Syk disorder is closely related with many inflammatory and autoimmune diseases, as well as cancers.

Syk associates with immunoreceptors through its tandem SH2 domains (tSH2), which contain two SH2 domains connected by interdomain A. The association of Syk with immunoreceptors is regulated by Y130 phosphorylation in interdomain A. The unphosphorylated tSH2 can bind with the doubly phosphorylated immunoreceptor tyrosine-based activation motif (dp-ITAM) of the cytoplasmic domains of immunoreceptors with very high …

Frontal Plane Comparison Between Drop Jump And Vertical Jump: Implications For The Assessment Of Acl Risk Of Injury, Guilherme Manna Cesar, Curtis L. Tomasevicz, Judith M. Burnfield

Athletic Performance Research

The potential to use the vertical jump (VJ) to assess both athletic performance and risk of anterior cruciate ligament (ACL) injury could have widespread clinical implications since VJ is broadly used in high school, university, and professional sport settings. Although drop jump (DJ) and VJ observationally exhibit similar lower extremity mechanics, the extent to which VJ can also be used as screening tool for ACL injury risk has not been assessed. This study evaluated whether individuals exhibit similar knee joint frontal plane kinematic and kinetic patterns when performing VJs compared with DJs. Twenty-eight female collegiate athletes performed DJs and VJs. …

Weight Control Practices Of Division I National Collegiate Athletic Association Athletes, Patrick B. Wilson, Leilani Madrigal, Judith M. Burnfield

Athletic Performance Research

Objectives: Altering body weight can have substantial effects on an athlete’s performance and well-being. Limited information is available describing the weight control practices of Division I National Collegiate Athletic Association (NCAA) athletes.

Methods: Weight control practices data from 188 (138 male and 50 female; 18-23 y) Division I NCAA athletes were analyzed as a part of this cross-sectional, retrospective study. Participants completed questionnaires on weight control practices and weight control nutrition knowledge at the end of their season and were classified into weight-sensitive and less weight-sensitive sports.

Results: A higher proportion of females attempted to lose weight than males among …

A Mechanistic Study Of An Ipsc Model For Leigh’S Disease Caused By Mtdna Mutataion (8993 T>G), John P. Galdun

Theses and Dissertations

Mitochondrial diseases encompass a broad range of devastating disorders that typically affect tissues with high-energy requirements. These disorders have been difficult to diagnose and research because of the complexity of mitochondrial genetics, and the large variability seen among patient populations. We have devised and carried out a mechanistic study to generate a cell based model for Leigh’s disease caused by mitochondrial DNA mutation 8993 T>G. Leigh’s disease is a multi-organ system disorder that depends heavily on the mutation burden seen within various tissues. Using new reprogramming and sequencing technologies, we were able to show that Leigh’s disease patient fibroblasts …

Examining The Reliability, Validity And Factor Structure Of The Drs-15 With College Athletes, Leilani Madrigal, Diane L. Gill, Kent M. Eskridge

Athletic Performance Research

Hardiness, comprising feelings of commitment, control and challenge, is most frequently measured with the Dispositional Resiliency Scale (DRS), but little work has been done with the brief 15-item version. To examine the factor structure, reliability, validity, and item functioning for gender invariance of the 15-item DRS with 525 collegiate athletes from a wide range of sports. Convergent and divergent validity were examined through relationships with mental toughness, grit and competitive anxiety. Participants completed measures of mental toughness, optimism, grit, competitive anxiety, and the DRS-15. Confirmatory Factor Analysis revealed a poor fit for the three-factor hardiness model, and subsequent exploratory factor …

Glucose-Fructose Likely Improves Gastrointestinal Comfort And Endurance Running Performance Relative To Glucose-Only, P. B. Wilson, S. J, Ingraham

Athletic Performance Research

This study aimed to determine whether glucose-fructose (GF) ingestion, relative to glucose-only, would alter performance, metabolism, gastrointestinal (GI) symptoms, and psychological affect during prolonged running. On two occasions, 20 runners (14 men) completed a 120-min submaximal run followed by a 4-mile time trial (TT). Participants consumed glucose-only (G) or GF (1.2:1 ratio) beverages, which supplied ~1.3 g/min of carbohydrate. Substrate use, blood lactate, psychological affect [Feeling Scale (FS)], and GI distress were measured. Differences between conditions were assessed using magnitude-based inferential statistics. Participants completed the TT 1.9% (−1.9; −4.2, 0.4) faster with GF, representing a likely benefit. FS ratings were …

Misrepresentation Of Carbohydrate For Exercise: ‘It Is Time To Bust The Myth Of Physical Inactivity And Obesity: You Cannot Outrun A Bad Diet’, Patrick B. Wilson

Athletic Performance Research

The contention from Malhotra et al1 regarding the unimportance of carbohydrate for exercise is misguided. First, the reference they provide is an editorial2 that should not be viewed as high-quality evidence. Several oft-cited exercise studies showing benefits with high-fat diets simultaneously utilized carbohydrate restoration strategies,3 which involves “carbohydrate loading” after a high-fat diet. Thus, the evidence provided does not contradict the established belief that carbohydrate is an important fuel for endurance exercise. Second, the authors’ use of the term “carbohydrate loading” is misleading in this context. No public health organizations advocate a diet containing carbohydrate in amounts used in “carbohydrate …

Computational Modeling Of Rna-Small Molecule And Rna-Protein Interactions, Lu Chen

Dissertations and Theses (Open Access)

The past decade has witnessed an era of RNA biology; despite the considerable discoveries nowadays, challenges still remain when one aims to screen RNA-interacting small molecule or RNA-interacting protein. These challenges imply an immediate need for cost-efficient while predictive computational tools capable of generating insightful hypotheses to discover novel RNA-interacting small molecule or RNA-interacting protein. Thus, we implemented novel computational models in this dissertation to predict RNA-ligand interactions (Chapter 1) and RNA-protein interactions (Chapter 2).

Targeting RNA has not garnered comparable interest as protein, and is restricted by lack of computational tools for structure-based drug design. To test the potential …

Removable Shoe Spike System, Alex Adams, Nutech Ventures, Inc.,

Athletic Performance Research

The present system, method and apparatus are adapted for the quick and easy exchange of spikes on athletic shoes. More specifically, the system, apparatus and methods comprise a spike having an opening, an aglet adapted for coupling to the shoe, for example by way of a shoelace, and a coupling head affixed to the aglet which is adapted to couple with the opening on the spike so as to allow a user to quickly and easily replace, remove or install spikes in the athletic shoe. The disclosure thus allows the user to have the tool attached to their shoe at …

Three-Dimensional Ideal Gas Reference State Based Energy Function, Avdesh Mishra

LSU New Orleans Theses and Dissertations

Energy functions are found to be a key of protein structure prediction. In this work, we propose a novel 3-dimensional energy function based on hydrophobic-hydrophilic properties of amino acid where we consider at least three different possible interaction of amino acid in a 3-dimensional sphere categorized as hydrophilic versus hydrophilic, hydrophobic versus hydrophobic and hydrophobic versus hydrophilic. Each of these interactions are governed by a 3-dimensional parameter alpha used to model the interaction and 3-dimensional parameter beta used to model weight of contribution. We use Genetic Algorithm (GA) to optimize the value of alpha, beta and Z-score. We obtain three …

The Structural Heterogeneity And Dynamics Of Base Stacking And Unstacking In Nucleic Acids, Ada Anna Sedova

Legacy Theses & Dissertations (2009 - 2024)

Base stacking provides stability to nucleic acid duplexes, and base unstacking is involved in numerous biological functions related to nucleic acids, including replication, repair, transcription, and translation. The patterns of base stacking and unstacking in available nucleic acid crystal structures were classified after separation into their individual single strand dinucleotide components and clustering using a k-means-based ensemble clustering method. The A- and B-form proximity of these dinucleotide structures were assessed to discover that RNA dinucleotides can approach B-form-like structures. Umbrella sampling molecular dynamics simulations were used to obtain the potential of mean force profiles for base unstacking at 5'-termini for …

A Pilot Study Investigating The Reasons For Playing Through Pain And Injury: Emerging Themes In Men’S And Women’S Collegiate Rugby, Leilani Madrigal, Jamie Robbins, Diane L. Gill, Katherine Wurst

Athletic Performance Research

Collegiate rugby is a competitive, collision sport, yet insufficient empirical evidence exists regarding participants’ perspectives on pain and injury. This study addressed male and female rugby players’ experiences with injury, and their views about playing through pain and injury. Eleven rugby players (five male; six female) competing in USA Rugby’s National College 7’s tournament participated in semi structured interviews, which were recorded, transcribed, and content-analyzed. Two major themes emerged: passion for sport and sport ethic. Passion for sport was composed of (a) love of the sport, (b) meaning of the sport, and (c) desire to be on the field. Sport …

Bioinformatics, Thermodynamics And Kinetics Analysis Of An All Alpha Helical Protein With A Gree-Key Topology, Hai Li

Chemistry & Biochemistry Theses & Dissertations

Computational and experimental studies focusing on the role of conserved residues for folding and stability is an active and promising area of research. To further expand our understanding we present the results of a bioinformatics analysis of the death domain superfamily. The death domain superfamily fold consists of six α-helices arranged in a Greek-key topology, which is shared by the all β-sheet immunoglobulin and mixed α/β-plait superfamilies. Our sequence and structural studies have identified a group of conserved hydrophobic residues and corresponding long-range interactions, which we propose are important in the formation and stabilization of the hydrophobic core and native …

The 3rd Computational Structural Bioinformatics Workshop, Jing He, Di Wu

Computer Science Faculty Publications

As many other domains in biology, molecular structures have proposed challenging but interesting computational problems. The unique challenge of the 3-dimensional molecular structures comes from the combination of the fundamental concepts of physics, chemistry, biology and geometry, and it is often computationally intensive to search for the correct structure. The Computational Structural Bioinformatics Workshop (CSBW) is a workshop that focuses on the fundamental computational work that is related to 3-dimensional molecular structures. This workshop aims to bring together researchers with expertise in bioinformatics, computational biology, structural biology, data mining, optimization and high performance computing to discuss recent results, new techniques, …