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2011

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Articles 1 - 30 of 478

Full-Text Articles in Biomedical Engineering and Bioengineering

Cerebral Spasticity Modeled As Disorded Equilibrium Point Control, Darnell Simon Dec 2011

Cerebral Spasticity Modeled As Disorded Equilibrium Point Control, Darnell Simon

Dissertations

Spasticity is a highly complex phenomenon, which has not been defined in precise and quantifiable terms. Although the muscle stretch reflex is thought to play an important role in spasticity generation, the pathophysiologic basis of spasticity is not completely understood. A valid measure of spasticity is one that is chosen within the context of a theory describing the physiological mechanisms underlying the control of posture and movement in healthy individuals and possible impairments of these mechanisms leading to motor disorders. This research’s goal was to determine the role of stretch reflex threshold in the regulation of impaired motor control ...


Neuralsta: A Software Tool For Neural Stimulation And Recording Applications With A Laser Control, Rimi Sahu Dec 2011

Neuralsta: A Software Tool For Neural Stimulation And Recording Applications With A Laser Control, Rimi Sahu

Theses

The subject of this thesis is a software tool created in Matlab ® for neural stimulation and recording of the evoked potentials. The stimulation output can be delivered in electrical units for immediate use for neural stimulation or as a power control signal to a laser. NeuralSTA is designed to generate arbitrary waveforms of stimulation and simultaneously record the neural response while implementing the spike triggered averaging (STA) method, hence the name NeuralSTA. The output (stimulation) signal can be created in monophasic, biphasic or inverted monophasic forms (for laser control applications). Controls for pulse modulation allow shaping of the pulse waveform ...


Theoretical Prediction Of Joint Reaction Force In A Dynamic General 3-D Pendulum Tree Model For Human Or Animal Motion, Sucheta Goyal Dec 2011

Theoretical Prediction Of Joint Reaction Force In A Dynamic General 3-D Pendulum Tree Model For Human Or Animal Motion, Sucheta Goyal

Theses

Lagrangian dynamics and the method of superfluous coordinates are applied to predict dynamic joint reaction forces in an idealized flexible model of a branched 3-D pendulum tree system. The number of segments and joints on the tree are adjustable as is the branching tree pattern. The segments that comprise the tree are assumed to be one- dimensional rigid rods containing a discrete set of mass points that is both flexible in number and distribution on the tree. The idealized 3-D pendulum tree system is intended to provide a flexible theoretical framework to model and better understand the dynamics of human ...


Neural Differentiation Of Pluripotent Stem Cells And Applications To Micropatterned Agarose Hydrogel For Nerve Guidance, Jamila S. Gittens Dec 2011

Neural Differentiation Of Pluripotent Stem Cells And Applications To Micropatterned Agarose Hydrogel For Nerve Guidance, Jamila S. Gittens

Theses

Many central nervous system (CNS) disorders are attributable to damaged oligodendrocytes, the cells that form the myelin sheath of axons. An effective source of human oligodendrocytes is crucial, making pluripotent stem cells, such as embryonic stem (ES) cells, an attractive source for nerve tissue repair and regeneration due to their unlimited capacity for self-renewal and their ability to differentiate into all major cell lineages. Bioengineered 3-D hydrogel culture systems have the potential to elucidate mechanisms required for regeneration of CNS cells. The goals of this study are: (1) to investigate the effects of retinoic acid (RA), sonic hedgehog (shh) agonist ...


Development Of 3-D Liver Model For Drug Screening Applications, Divya Rajendran Dec 2011

Development Of 3-D Liver Model For Drug Screening Applications, Divya Rajendran

Theses

The need for a an in vitro drug screening system that mimics the structural organization of natural liver for multi-functionality and maintenance of hepatocytes has become vital in the drug development process. The objective of this study was to engineer a three-dimensional (3-D) liver model using chitosan-based nanofiber scaffolds and co-culture system (adult rat hepatocytes and 3T3-J2 fibroblasts) to mimic the natural liver and to justify its application for in vitro drug screening. Chitosan nanofiber scaffolds were fabricated by electrospinning technique. In order to promote cell adhesion on the chitosan scaffolds, the scaffolds were coated with a cell adhesion molecule ...


Temperature Elevations Due To Nir Exposure In The Brain Tissue, Ali Ersen Dec 2011

Temperature Elevations Due To Nir Exposure In The Brain Tissue, Ali Ersen

Theses

Near infrared (NIR) lasers have been used in medical applications both for diagnostic and therapeutic purposes. Temperature elevation profile inside the tissue is a critical factor that needs to be better understood in these applications. The purpose of this study is to determine the temperature distribution due to a low power N I R laser irradiation in living neural tissue. Temperature measurements were made directly using a thermocouple probe inside the rat brain cortex within the sagittal plane. The spatial map indicates that N I R light penetrates more readily in the vertical directions than the spreading in the horizontal ...


Soy Protein-Poly (L-Lactic Acid) Blend Nanofibers For Drug Delivery Of Nardostachys Jatamansi, Swetha Tiwari Dec 2011

Soy Protein-Poly (L-Lactic Acid) Blend Nanofibers For Drug Delivery Of Nardostachys Jatamansi, Swetha Tiwari

Theses

Electrospun nanofibers when nanofi bers are impregnated with drugs play a significant role in drug delivery. Nanomedical approaches to drug delivery focus on developing nanoscale particles or molecules to improve the bioavailab ility of a drug.

Biodegradable nanofibers were developed using Poly (L – lactic acid) and Soy protein for the delivery of an ayurvedic drug, Nardostachys jatamansi. A weighed quantity of powdered drug – Nardostachys Jatamansi was subjected to Soxhlet extraction using water and ethanol in equal quantities. Various blends of the drug extract and soy protein solution are prepared and mixed in Poly (L-lactic acid). Nanofibers of Soy Protein – Poly ...


Alendronate Treatment Elicits A Reduction In Fatigue-Life Of Canine Cortical Bone, Joseph Ryan Geissler Dec 2011

Alendronate Treatment Elicits A Reduction In Fatigue-Life Of Canine Cortical Bone, Joseph Ryan Geissler

Theses

Bone serves contradictory needs; bone must be strong yet light, and stiff yet flexible. At the tissue level bone material withstands cyclic loading without failing by dissipating energy via the formation and accumulation of microdamage. Proper removal of this damage in exchange for fresh tissue is vital to bone maintenance, and is achieved through a remodeling process. Imbalanced remodeling leads to osteoporotic fractures. Bisphosphonate drugs are proven to reduce fracture risk. However, the long-term effects of bisphosphonates on tissue-level properties are unknown. This study characterized the fatigue-life of cortical bone tissue after bisphosphonate treatment with alendronate (Aln). 1 1th ribs ...


Enhanced Microbial Utilization Of Recalcitrant Cellulose By An Ex Vivo Cellulosome-Microbe Complex, Chun You, Xiao-Zhou Zhang, Noppadon Sathitsuksanoh, Lee R. Lynd Dec 2011

Enhanced Microbial Utilization Of Recalcitrant Cellulose By An Ex Vivo Cellulosome-Microbe Complex, Chun You, Xiao-Zhou Zhang, Noppadon Sathitsuksanoh, Lee R. Lynd

Open Dartmouth: Faculty Open Access Scholarship

A cellulosome-microbe complex was assembled ex vivo on the surface of Bacillus subtilis displaying a miniscaffoldin that can bind with three dockerin-containing cellulase components: the endoglucanase Cel5, the processive endoglucanase Cel9, and the cellobiohydrolase Cel48. The hydrolysis performances of the synthetic cellulosome bound to living cells, the synthetic cellulosome, a noncomplexed cellulase mixture with the same catalytic components, and a commercial fungal enzyme mixture were investigated on low-accessibility recalcitrant Avicel and high accessibility regenerated amorphous cellulose (RAC). The cellbound cellulosome exhibited 4.5- and 2.3-fold-higher hydrolysis ability than cell-free cellulosome on Avicel and RAC, respectively. The cellulosome-microbe synergy was ...


A Review Of Baobab (Adansonia Digitata) Products: Effect Of Processing Techniques, Medicinal Properties And Uses, Donatien Kabore, Hagrétou Sawadogo-Lingani, Bréhima Diawara, Clarise Compaoré, Mamoudou H. Dicko Prof., Mogens Jacobsen Dec 2011

A Review Of Baobab (Adansonia Digitata) Products: Effect Of Processing Techniques, Medicinal Properties And Uses, Donatien Kabore, Hagrétou Sawadogo-Lingani, Bréhima Diawara, Clarise Compaoré, Mamoudou H. Dicko Prof., Mogens Jacobsen

Pr. Mamoudou H. DICKO, PhD

A general literature review including the effect of processing techniques, medicinal value and uses of baobab tree is reported in this manuscript. Baobab tree has multi-purpose uses, as it produces food and non-food products such as medicines, fuel, timber, fodder. Every part of the baobab tree is reported to be useful. The seeds, leaves, roots, flowers, fruit pulp and bark of baobab are edible. Baobab leaves are used in the preparation of soup. Seeds are used as a thickening agent in soups, but they can be fermented and used as a flavouring agent or roasted and eaten as snacks. The ...


Computer-Aided, Multi-Modal, And Compression Diffuse Optical Studies Of Breast Tissue, David R. Busch Jr Dec 2011

Computer-Aided, Multi-Modal, And Compression Diffuse Optical Studies Of Breast Tissue, David R. Busch Jr

Publicly Accessible Penn Dissertations

Diffuse Optical Tomography and Spectroscopy permit measurement of important physiological parameters non-invasively through ~10 cm of tissue. I have applied these techniques in measurements of human breast and breast cancer. My thesis integrates three loosely connected themes in this context: multi-modal breast cancer imaging, automated data analysis of breast cancer images, and microvascular hemodynamics of breast under compression. As per the first theme, I describe construction, testing, and the initial clinical usage of two generations of imaging systems for simultaneous diffuse optical and magnetic resonance imaging. The second project develops a statistical analysis of optical breast data from many spatial ...


Enhancing Meniscus Repair Through Biomaterial Design, Lara Ionescu Silverman Dec 2011

Enhancing Meniscus Repair Through Biomaterial Design, Lara Ionescu Silverman

Publicly Accessible Penn Dissertations

The knee meniscus is prone to damage, which leads to pain and inhibits mobility in the joint long term. Due to the minimal vascularity, low cellularity and large mechanical forces imparted on the meniscus with normal use, endogenous repair is limited. Resection of the damaged region of the tissue (meniscectomy) remains the most common treatment for a torn meniscus, but this procedure results in cartilage degradation and other adverse changes in the knee joint. Given the prevalence of meniscus damage, there is thus a pressing need for novel approaches to meniscus repair. To address this issue, this thesis developed in ...


Optimization And Translation Of Msc-Based Hyaluronic Acid Hydrogels For Cartilage Repair, Isaac E. Erickson Dec 2011

Optimization And Translation Of Msc-Based Hyaluronic Acid Hydrogels For Cartilage Repair, Isaac E. Erickson

Publicly Accessible Penn Dissertations

Traumatic injury and disease disrupt the ability of cartilage to carry joint stresses and, without an innate regenerative response, often lead to degenerative changes towards the premature development of osteoarthritis. Surgical interventions have yet to restore long-term mechanical function. Towards this end, tissue engineering has been explored for the de novo formation of engineered cartilage as a biologic approach to cartilage repair. Research utilizing autologous chondrocytes has been promising, but clinical limitations in their yield have motivated research into the potential of mesenchymal stem cells (MSCs) as an alternative cell source. MSCs are multipotent cells that can differentiate towards a ...


Schwann Cell Proliferation And Macrophage Infiltration Are Evident At Day 14 After Painful Cervical Nerve Root Compression In The Rat, Yu-Wen Chang, Beth A. Winkelstein Dec 2011

Schwann Cell Proliferation And Macrophage Infiltration Are Evident At Day 14 After Painful Cervical Nerve Root Compression In The Rat, Yu-Wen Chang, Beth A. Winkelstein

Departmental Papers (BE)

Although it is known that different types of nerve root insults can produce radicular pain, it is not known whether the neuronal and Schwann cell pathologies in the nerve root vary between inflammation-induced nerve root injury and traumatic compression. This study examined the extent of Wallerian degeneration and associated cellular repair processes in the nerve root in the context of mechanical hyperalgesia resulting from different modes of painful nerve root injury. The C7 dorsal nerve root underwent a transient 10 gram-force compression (10g), inflammation-induced irritation by chromic gut exposure (Cg), or a combination of those stimuli (10g + Cg). Fourteen days ...


Aptamer Functionalized Microcantilever Sensors For Cocaine Detection, Kyungho Kang, Ashish Sachan, Marit Nilsen-Hamilton, Pranav Shrotriya Dec 2011

Aptamer Functionalized Microcantilever Sensors For Cocaine Detection, Kyungho Kang, Ashish Sachan, Marit Nilsen-Hamilton, Pranav Shrotriya

Mechanical Engineering Publications

A cocaine-specific aptamer was used as a receptor molecule in a microcantilever-based surface stress sensor for detection of cocaine molecules. An interferometric technique that relies on measuring differential displacement between two microcantilevers (a sensing/reference pair) was utilized to measure the cocaine/aptamer binding induced surface stress changes. Sensing experiments were performed for different concentrations of cocaine from 25 to 500 μM in order to determine the sensor response as a function of cocaine concentration. In the lower concentration range from 25 to 100 μM, surface stress values increased proportionally to coverage of aptamer/cocaine complexes from 11 to 26 ...


Effect Of Extracellular Matrix (Ecm) Protein Micropatterns On The Behavior Of Human Neuroblastoma Cells, Ishwari Poudel Dec 2011

Effect Of Extracellular Matrix (Ecm) Protein Micropatterns On The Behavior Of Human Neuroblastoma Cells, Ishwari Poudel

Engineering Mechanics Dissertations & Theses

Recent advances in patterning techniques and emerging surface microtechnologies have allowed cell micropatterning to control spatial location of the cells on a surface as well as cell shape, attachment area, and number of contacting neighbor cells. These parameters play important roles in cell cellular behaviors. Cell micropatterning has thus become one of the most important strategies for biomedical applications, such as, tissue engineering, diagnostic immunoassays, lab-on-chip devices, bio-sensing, etc., and cell biology studies as well. For neuronal cells, there have been attempts to distribute neuronal cells on specific patterns to control cell-to-cell interaction. However, there have been very limited understanding ...


A Novel Telecommunications-Based Approach To Mathematical Modeling Of Hiv Infection, Aaron T. Sharp Dec 2011

A Novel Telecommunications-Based Approach To Mathematical Modeling Of Hiv Infection, Aaron T. Sharp

Theses, Dissertations, & Student Research in Computer Electronics & Engineering

It is well known that biological systems utilize communication in some form, one prolific example of this is the propagation of HIV (Human Immunodeficiency Virus) in the human body. By modeling HIV infection as a communication system, we hope to gain a unique insight into HIV and biological communication systems in general. Such a model would provide researchers a platform for experimenting and simulating various biological communication systems. We have previously developed a layered communication protocol for interpreting biological communication systems using telecommunications paradigms and will apply said model to HIV proliferation. We will also demonstrate the effectiveness of the ...


Studies On Power Hop Using A Nonlinear Model Of An Agricultural Tractor, Adam B. Flaugh Dec 2011

Studies On Power Hop Using A Nonlinear Model Of An Agricultural Tractor, Adam B. Flaugh

Biological Systems Engineering--Dissertations, Theses, and Student Research

Power hop is an unstable dynamic phenomenon that is observed on agricultural tractors operating at field working speeds under typical draft loads. This dynamic instability can be identified as a bounce motion preceded by an increasing oscillation in either the pitch or bounce modes. A definite and comprehensive correction or prevention strategy for the control of power hop does not exist. In this work a linear and a nonlinear model of an agricultural tractor were developed. The method of multiple time scales has been employed in the analysis of the nonlinear model. Numerical results have been obtained using Mathematica to ...


The Economics And Logistics Of The Dual Harvest Of Grain And Biomass In A Single-Pass, Matthew T. Wold Dec 2011

The Economics And Logistics Of The Dual Harvest Of Grain And Biomass In A Single-Pass, Matthew T. Wold

Biological Systems Engineering--Dissertations, Theses, and Student Research

Significant interest has developed in using cellulosic resources, especially crop residues, to create biofuels. Collecting these residues in a single-pass of the harvester across the field has the potential to be a low cost option. Two models have been developed; the first characterizes the in-field logistics of single-pass crop residue collection, the second the economics. These models allow the user to easily examine a wide variety of both grain-only and single-pass residue collection harvest cases. A variety of possible residue collection cases have been examined, and their effects both on harvester field capacity and harvest cost compared to grain-only harvest ...


Development Of A Dynamic In Vitro Model Of A Stented Blood Vessel To Evaluate The Effects Of Stent Strut Material Selection And Surface Coating On Smooth Muscle Cell Response, Bradley Winn Dec 2011

Development Of A Dynamic In Vitro Model Of A Stented Blood Vessel To Evaluate The Effects Of Stent Strut Material Selection And Surface Coating On Smooth Muscle Cell Response, Bradley Winn

All Dissertations

Cardiovascular disease is the leading cause of mortality in The United States and Europe, accounting for approximately half of all deaths. The most common form of cardiovascular disease is atherosclerosis, which is characterized by the formation of fatty atheromatous plaques that can grow to occlude the vessel lumen, thus causing ischemia distal to the occlusion. This is commonly treated using balloon angioplasty, which is usually done in conjunction with the deployment of a stent. Stent deployment helps hold the vessel open following the local injury caused by balloon inflation and prevents elastic recoil and subsequent negative remodeling. Stenting has been ...


Dna Electrophoretic Migration Patterns Change After Exposure Of Jurkat Cells To A Single Intense Nanosecond Electric Pulse, Stefania Romeo, Luigi Zeni, Maurizio Sarti, Anna Sannino, Maria Rosaria Scarfi, P. Thomas Vernier, Olga Zeni Dec 2011

Dna Electrophoretic Migration Patterns Change After Exposure Of Jurkat Cells To A Single Intense Nanosecond Electric Pulse, Stefania Romeo, Luigi Zeni, Maurizio Sarti, Anna Sannino, Maria Rosaria Scarfi, P. Thomas Vernier, Olga Zeni

Bioelectrics Publications

Intense nanosecond pulsed electric fields (nsPEFs) interact with cellular membranes and intracellular structures. Investigating how cells respond to nanosecond pulses is essential for a) development of biomedical applications of nsPEFs, including cancer therapy, and b) better understanding of the mechanisms underlying such bioelectrical effects. In this work, we explored relatively mild exposure conditions to provide insight into weak, reversible effects, laying a foundation for a better understanding of the interaction mechanisms and kinetics underlying nsPEF bio-effects. In particular, we report changes in the nucleus of Jurkat cells (human lymphoblastoid T cells) exposed to single pulses of 60 ns duration and ...


Strider, George Cummings, Brian Kreidle, Ricky Lee, Clark Steen Dec 2011

Strider, George Cummings, Brian Kreidle, Ricky Lee, Clark Steen

Mechanical Engineering

No abstract provided.


Impact Of Collateral Enlargement On Smooth Muscle Phenotype, Alexander Jerome Bynum Dec 2011

Impact Of Collateral Enlargement On Smooth Muscle Phenotype, Alexander Jerome Bynum

Master's Theses and Project Reports

Peripheral Artery Disease is a very serious disease characterized by an arterial occlusion due to atherosclerotic plaques. In response to an arterial occlusion, arteriogenesis occurs, causing smooth muscle cells to transition from a contractile to synthetic state. Also following an arterial occlusion, functional impairment was seen in the collateral circuit. An immunofluorescence protocol was developed in order to assess the impact of collateral enlargement (arteriogenesis) on smooth muscle phenotype at various time points. Smooth muscle α-actin was used to mark all smooth muscle cells, Ki-67 was used to label proliferating smooth muscle cells, and a fluorescent nuclear stain was used ...


A Computational Investigation For Potential Improvements, Angela Grujicic Dec 2011

A Computational Investigation For Potential Improvements, Angela Grujicic

All Theses

Mild traumatic brain injury (mTBI), colloquially known as a concussion, is the most common injury in modern wars. This domination of mTBI is hypothesized to be due to a combination of unconventional explosives and better protection and care of the patients, increasing survivability. While the majority of the body is covered in armor, the head is left relatively unprotected. The current Advanced Combat Helmet (ACH) has been designed to protect the warfighter against ballistic impacts and impacts against a hard surface, with little to no regard to blast loading. Polyureas, a class of microsegregated, elastomeric copolymers, has been shown to ...


'Exploring The Potential Of Using Antimicrobial Peptides And Copper Nanoparticles In Tackling Surgical Site Infections', Sriram Sankar Dec 2011

'Exploring The Potential Of Using Antimicrobial Peptides And Copper Nanoparticles In Tackling Surgical Site Infections', Sriram Sankar

All Theses

Postoperative wound site infections remain a major source of illness with approximately 500,000 infections per year, among an estimated 27 million surgical procedures. Such infections account for approximately one quarter of the estimated 2 million nosocomial infections in the United States which causes about 90,000 deaths each year. More than 70% of the bacteria that causes such infections are resistant to at least one of the antibiotics and result in longer hospitalization; besides requiring second option treatments that may be less effective, more toxic and expensive. Hence, there is a frenetic search for alternatives and in this regard ...


A Novel Free Form Femoral Cutting Guide, Wesley Andrew Underwood Dec 2011

A Novel Free Form Femoral Cutting Guide, Wesley Andrew Underwood

Masters Theses

Knee arthoplasty is a common procedure that requires the removal of damaged bone and cartilage from the distal femur so that a reconstructive implant may be installed. Traditionally, a five planar resection has been accomplished with a universal cutting box and navigated with either metal jigs or optically tracked computer navigation systems. Free form, or curved, resections have been made possible with surgical robots which control the resection pathway and serve as the navigation system. The free form femoral cutting guide serves as a non powered framework to guide a standard surgical drill along an anatomically defined pathway, resulting in ...


Comparative Study On Posture And Its Influences On Horizontal Ground Reaction Forces Generated By Muscles: Implications For Crouch Gait, Hoa Xuan Hoang Dec 2011

Comparative Study On Posture And Its Influences On Horizontal Ground Reaction Forces Generated By Muscles: Implications For Crouch Gait, Hoa Xuan Hoang

Masters Theses

Crouch gait decreases walking efficiency due to the increased knee and hip flexion during the stance phase of gait. Crouch gait is generally considered to be disadvantageous for patients with cerebral palsy; however, a crouched posture may afford biomechanical advantages that lead some patients to adopt a crouch gait.

To investigate one possible advantage of crouch gait, a musculoskeletal model created in OpenSim was placed in 15 different postures from upright to severe crouch during initial, middle, and final stance of the gait cycle. A series of optimizations were performed for each posture to maximize ground reaction forces for the ...


Quantifying The Tibiofemoral Joint Space Using X-Ray Tomosynthesis, Benjamin Kalinosky, John M. Sabol, Kelly Piacsek, Beth Heckel, Taly Gilat Schmidt Dec 2011

Quantifying The Tibiofemoral Joint Space Using X-Ray Tomosynthesis, Benjamin Kalinosky, John M. Sabol, Kelly Piacsek, Beth Heckel, Taly Gilat Schmidt

Biomedical Engineering Faculty Research and Publications

Purpose: Digital x-ray tomosynthesis (DTS) has the potential to provide 3D information about the knee joint in a load-bearing posture, which may improve diagnosis and monitoring of knee osteoarthritis compared with projection radiography, the current standard of care. Manually quantifying and visualizing the joint space width (JSW) from 3D tomosynthesis datasets may be challenging. This work developed a semiautomated algorithm for quantifying the 3D tibiofemoral JSW from reconstructed DTS images. The algorithm was validated through anthropomorphic phantom experiments and applied to three clinical datasets. Methods: A user-selected volume of interest within the reconstructed DTS volume was enhanced with 1D multiscale ...


Field-Controlled Electron Transfer And Reaction Kinetics Of The Biological Catalytic System Of Microperoxidase-11 And Hydrogen Peroxide, Yongki Chou, Siu-Tung Yau Dec 2011

Field-Controlled Electron Transfer And Reaction Kinetics Of The Biological Catalytic System Of Microperoxidase-11 And Hydrogen Peroxide, Yongki Chou, Siu-Tung Yau

Electrical Engineering & Computer Science Faculty Publications

Controlled reaction kinetics of the bio-catalytic system of microperoxidase-11 and hydrogen peroxide has been achieved using an electrostatic technique. The technique allowed independent control of 1) the thermodynamics of the system using electrochemical setup and 2) the quantum mechanical tunneling at the interface between microperoxidase-11 and the working electrode by applying a gating voltage to the electrode. The cathodic currents of electrodes immobilized with microperoxidase-11 showed a dependence on the gating voltage in the presence of hydrogen peroxide, indicating a controllable reduction reaction. The measured kinetic parameters of the bio-catalytic reduction showed nonlinear dependences on the gating voltage as the ...


Interfacial Force Field Parameterization Using The Dual Force Field Charmm Program For The Accurate Simulation Of Peptide-Surface Interaction, Nadeem Vellore Dec 2011

Interfacial Force Field Parameterization Using The Dual Force Field Charmm Program For The Accurate Simulation Of Peptide-Surface Interaction, Nadeem Vellore

All Dissertations

Protein adsorption to solid material surfaces is a complex phenomenon and various factors play a role in controlling these processes. Inherent limitations to understand these biological interactions using experimental approaches alone have led to the possibility of exploring these systems using computational molecular simulation methodologies. Before confidence can be placed on these computational protocols, however, rigorous validation of the applicability of these methods to accurately represent protein adsorption processes is needed. In this research, we evaluated the use of all-atom empirical force field (FF) based simulations using the CHARMM simulation program and FF for the study of peptide adsorption processes ...