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University at Albany, State University of New York

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Articles 91 - 120 of 207

Full-Text Articles in Nanoscience and Nanotechnology

Understanding Transcriptional Enhancement In Monoclonal Antibody-Producing Chinese Hamster Ovary Cells, Sarah E. Nicoletti Jan 2015

Understanding Transcriptional Enhancement In Monoclonal Antibody-Producing Chinese Hamster Ovary Cells, Sarah E. Nicoletti

Legacy Theses & Dissertations (2009 - 2024)

With the demand for monoclonal antibody (mAB) therapeutics continually increasing, the need to better understand what makes a high productivity clone has gained substantial interest. Monoclonal antibody producing Chinese hamster ovary (CHO) cells with different productivities were provided by a biopharmaceutical company for investigation. Gene copy numbers, mRNA levels, and mAb productivities were previously determined for two low producing clones and their amplified progeny. These results showed an increase in mRNA copy number in amplified clones, which correlated to the observed increases in specific productivity of these clones. The presence of multiple copies of mRNA per one copy of DNA …

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Implementation Of Strategies To Improve The Reliability Of Iii-Nitride Photodetectors Towards The Realization Of Visible And Solar-Blind Imaging Arrays, John Bulmer Jan 2015

Implementation Of Strategies To Improve The Reliability Of Iii-Nitride Photodetectors Towards The Realization Of Visible And Solar-Blind Imaging Arrays, John Bulmer

Legacy Theses & Dissertations (2009 - 2024)

Ultraviolet (UV) radiation detectors are being heavily researched for applications in non-line-of-sight (NLOS) communication systems, flame monitoring, biological detection, and astronomical studies. These applications are currently being met by the use of Si-based photomultiplier tubes (PMTs), which are bulky, fragile, expensive and require the use of external filters to achieve true visible-blind and solar-blind operation.

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Creation Of A 3d Construct To Aid Cell Migration And Promote Cell Capture, Joseph Michael Sanders Jan 2015

Creation Of A 3d Construct To Aid Cell Migration And Promote Cell Capture, Joseph Michael Sanders

Legacy Theses & Dissertations (2009 - 2024)

Most cancer-related deaths are attributed to metastasis. The tumor microenvironment is a complex environment which is not fully understood. The Nano Intravital Device (NANIVID) is a versatile, biocompatible device that allows for the manipulation of the tumor microenvironment in vitro and in vivo, providing a platform to study various aspects of tumor progression. The purpose of this study is to modify the NANIVID to resemble the tumor microenvironment in order to allow for a seamless transition from the in vivo environment into the engineered environment within the NANIVID. This engineered microenvironment will promote cell migration and cell capture. It has …

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Molecular Organometallic Resists Of Tin And Tellurium, Ryan Del Re Jan 2015

Molecular Organometallic Resists Of Tin And Tellurium, Ryan Del Re

Legacy Theses & Dissertations (2009 - 2024)

EUV photoresists made from organotin and organotellurium dicarboxylates were lithographically evaluated for photosensitivity and dense-line patterning. The effects of ligand structure and central metal are explored through systematic molecular modification. Through this work, two photoresists were discovered that are capable of high resolution and low line-edge roughness. Dibenzyltin dipivalate resolves 22-nm dense lines with 1.4-nm LER and dibenzyltin dibenzoate resolves 35-nm dense lines with 1.1-nm LER.

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Initiated Chemical Vapor Deposition (Icvd) Polymer Thin Films : Structure-Property Effects On Thermal Degradation And Adhesion, Vijay Jain Bharamaiah Jeevendrakumar Jan 2015

Initiated Chemical Vapor Deposition (Icvd) Polymer Thin Films : Structure-Property Effects On Thermal Degradation And Adhesion, Vijay Jain Bharamaiah Jeevendrakumar

Legacy Theses & Dissertations (2009 - 2024)

Opportunities and challenges for chemical vapor deposition (CVD) of polymer thin films stems from their applications in electronics, sensors, and adhesives with demands for control over film composition, conformity and stability. Initiated chemical vapor deposition (iCVD) is a subset of the CVD technique that conjoins bulk free-radical polymerization chemistry with gas-phase processing. The novelty of iCVD technique stems from the use of an initiator that can be activated at low energies (150 – 300 °C) to react with surface adsorbed monomer to form a polymer film. This reduces risk for potential unwarranted side-reactions.

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Brown Adipogenesis Of Mouse Embryonic Stem Cells In Alginate Microstrands, Andrea Mannarino Unser Jan 2015

Brown Adipogenesis Of Mouse Embryonic Stem Cells In Alginate Microstrands, Andrea Mannarino Unser

Legacy Theses & Dissertations (2009 - 2024)

The ability of brown adipocytes (fat cells) to dissipate energy as heat shows great promise for the treatment of obesity and other metabolic disorders. Employing pluripotent stem cells, with an emphasis on directed differentiation, may overcome many issues currently associated with primary fat cell cultures. However, brown adipocytes are difficult to transplant in vivo due to the instability of fat, in terms of necrosis and neovascularization, once injected. Thus, 3D cell culture systems that have the potential to mimic adipogenic microenvironments are needed, not only to advance brown fat implantation, but also to better understand the role of brown adipocytes …

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High Frequency Signal Transmission In Through Silicon Via Based 3d Integrated Circuit, Min Xu Jan 2015

High Frequency Signal Transmission In Through Silicon Via Based 3d Integrated Circuit, Min Xu

Legacy Theses & Dissertations (2009 - 2024)

Through silicon vias (TSVs) enable 3-dimensional (3D) integrated circuits (ICs), which have the potential to reduce the power consumption, interconnect length and overall communication latency in modern nanoelectronics systems. High-speed signal transmission channels through stacked silicon substrates are critical for 3D heterogeneous integration. This work presents systematic analyses of fabricated 3D IC test structures. This includes test structure design, fabrication, experimental characterization, equivalent circuit modeling and full wave simulations for high-speed signal transmission of the TSV based 3D IC channels.

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An Assessment Of Critical Dimension Small Angle X-Ray Scattering Metrology For Advanced Semiconductor Manufacturing, Charles Michael Settens Jan 2015

An Assessment Of Critical Dimension Small Angle X-Ray Scattering Metrology For Advanced Semiconductor Manufacturing, Charles Michael Settens

Legacy Theses & Dissertations (2009 - 2024)

Simultaneous migration of planar transistors to FinFET architectures, the introduction of a plurality of materials to ensure suitable electrical characteristics, and the establishment of reliable multiple patterning lithography schemes to pattern sub-10 nm feature sizes imposes formidable challenges to current in-line dimensional metrologies. Because the shape of a FinFET channel cross-section immediately influences the electrical characteristics, the evaluation of 3D device structures requires measurement of parameters beyond traditional critical dimension (CD), including their sidewall angles, top corner rounding and footing, roughness, recesses and undercuts at single nanometer dimensions; thus, metrologies require sub-nm and approaching atomic level measurement uncertainty.

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The Development Of Iii-V Semiconductor Mosfets For Future Cmos Applications, Andrew M. Greene Jan 2015

The Development Of Iii-V Semiconductor Mosfets For Future Cmos Applications, Andrew M. Greene

Legacy Theses & Dissertations (2009 - 2024)

Alternative channel materials with superior transport properties over conventional strained silicon are required for supply voltage scaling in low power complementary metal-oxide-semiconductor (CMOS) integrated circuits. Group III-V compound semiconductor systems offer a potential solution due to their high carrier mobility, low carrier effective mass and large injection velocity. The enhancement in transistor drive current at a lower overdrive voltage allows for the scaling of supply voltage while maintaining high switching performance. This thesis focuses on overcoming several material and processing challenges associated with III-V semiconductor development including a low thermal processing budget, high interface trap state density (Dit), low resistance …

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Comparison Of Glucose, Fructose And Sucrose Amperometric And Thermal Sensors For Detection Of Carbohydrates In Living Plant Tissue, Scott Mcadoo Jan 2015

Comparison Of Glucose, Fructose And Sucrose Amperometric And Thermal Sensors For Detection Of Carbohydrates In Living Plant Tissue, Scott Mcadoo

Legacy Theses & Dissertations (2009 - 2024)

Ecologists currently cannot test concentrations of carbohydrates in sap in vivo. Testing carbohydrates with current technology would require destructive tissue sampling. The tissue sampling involves large amounts of time and money to collect and test. Aphids are an insect that can bypass a tree’s passive immune system and feed off a phloem region for weeks. A series of enzymatic biosensors could be used to detect the concentration changes of specific carbohydrates. A calcium chelant can be added to defeat a tree’s immune system like an aphid. The detection of three carbohydrates, fructose, glucose and sucrose are involved in this study. …

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Characterization Of Metallic And Semimetallic Oxide Nanoparticles In Industrial Wastewater And Associated Toxicity, Gary Roth Jan 2015

Characterization Of Metallic And Semimetallic Oxide Nanoparticles In Industrial Wastewater And Associated Toxicity, Gary Roth

Legacy Theses & Dissertations (2009 - 2024)

Engineered nanomaterials (ENMs) play an increasing role in manufacturing and consumer products. Currently, there is no standard approach to studying ENM toxicity, and a growing body of literature suggests that ENMs may have toxicity differing from similar compounds in bulk or dissolved form. I examined ENMs used in the semiconductor manufacturing process called chemical-mechanical planarization (CMP) for their properties, removal in the wastewater treatment system (WWT), in-vitro toxicity, and location post-inhalation in-vivo. It was found that ENMs in CMP slurries have morphology determined by their elemental composition, but assessment of size and concentration can differ substantially between accepted techniques. Particles …

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The Impact Of Seed Layer Structure On The Recrystallization Of Ecd Cu And Its Alloys, Brendan B. O'Brien Jan 2015

The Impact Of Seed Layer Structure On The Recrystallization Of Ecd Cu And Its Alloys, Brendan B. O'Brien

Legacy Theses & Dissertations (2009 - 2024)

Despite the significant improvements originally offered by the use of Cu over Al as the interconnect material for semiconductor devices, the continued down-scaling of interconnects has presented significant challenges for semiconductor engineers. As the metal line widths shrink, both the conductivity and reliability of lines decrease due to a stubbornly fine-grained microstructure in narrow lines.

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Two-Dimensional Chalcogenides : Material Synthesis And Nano-Device Applications, Robin Bay Jacobs-Gedrim Jan 2015

Two-Dimensional Chalcogenides : Material Synthesis And Nano-Device Applications, Robin Bay Jacobs-Gedrim

Legacy Theses & Dissertations (2009 - 2024)

Low-dimensional nanostructures exhibit distinct properties from their bulk counterparts. Here the synthesis of novel low-dimensional nanostructures is demonstrated using both top down and bottom up processes and their properties are investigated. Two-dimensional (2D) binary sesquichalcogenides are introduced as a viable material platform for phase change random access memory, photodetection, and the investigation of topological insulator surface states. An exponential relationship is observed between layer thickness and energy consumption during switching of 2D phase change devices, ultra-high responsivity in 2D photoresistors, and surface-rich conduction in 2D topological insulator nanoplates. Additionally, methods for the assessment of chemical purity, stoichiometry, and dimensions of …

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Nanoparticle Generation And Interactions With Surfaces In Vacuum Systems, Yashdeep Khopkar Jan 2015

Nanoparticle Generation And Interactions With Surfaces In Vacuum Systems, Yashdeep Khopkar

Legacy Theses & Dissertations (2009 - 2024)

Extreme ultraviolet lithography (EUVL) is the most likely candidate as the next generation technology beyond immersion lithography to be used in high volume manufacturing in the semiconductor industry. One of the most problematic areas in the development process is the fabrication of mask blanks used in EUVL. As the masks are reflective, there is a chance that any surface aberrations in the form of bumps or pits could be printed on the silicon wafers. There is a strict tolerance to the number density of such defects on the mask that can be used in the final printing process. Bumps on …

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Plasmonic Enhancement Of The Ellipsometric Measurement Of Thin Metal Lines, Samuel O'Mullane Jan 2015

Plasmonic Enhancement Of The Ellipsometric Measurement Of Thin Metal Lines, Samuel O'Mullane

Legacy Theses & Dissertations (2009 - 2024)

In semiconductor manufacturing, defect analysis and process control are extremely important for optimal device performance and yield enhancement. One in-line tool used for quick optical characterization is the ellipsometer. Because it is nondestructive and largely automated, ellipsometers have become key tools in this process. Scatterometry based optical critical dimension (OCD) analysis is the full optical modeling of ellipsometric measurements using regression-based structures. Specifically for metallic gratings, OCD has a couple of challenges. First, the sensitivity to changes in the width of the metal lines is decreasing for smaller widths. Second, the main scatterometry spectral simulation method (rigorous coupled wave analysis, …

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Hexagonal Boron Nitride : Ubiquitous Layered Dielectric For Two-Dimensional Electronics, Nikhil Jain Jan 2015

Hexagonal Boron Nitride : Ubiquitous Layered Dielectric For Two-Dimensional Electronics, Nikhil Jain

Legacy Theses & Dissertations (2009 - 2024)

Hexagonal boron nitride (h-BN), a layer-structured dielectric with very similar crystalline lattice to that of graphene, has been studied as a ubiquitous dielectric for two-dimensional electronics. While 2D materials may lead to future platform for electronics, traditional thin-film dielectrics (e.g., various oxides) make highly invasive interface with graphene. Multiple key roles of h-BN in graphene electronics are explored in this thesis. 2D graphene/h-BN heterostructures are designed and implemented in diverse configurations in which h-BN is evaluated as a supporting substrate, a gate dielectric, a passivation layer, or an interposing barrier in “3D graphene” superlattice. First, CVD-grown graphene on h-BN substrate …

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Bioengineering In Vitro Human Trabecular Meshwork Models For Glaucoma Therapeutic Screening, Karen Yud Torrejon Jan 2015

Bioengineering In Vitro Human Trabecular Meshwork Models For Glaucoma Therapeutic Screening, Karen Yud Torrejon

Legacy Theses & Dissertations (2009 - 2024)

Glaucoma refers to a group of slowly progressing eye disorders that lead to damage to the optic nerve, resulting in irreversible vision loss. Recent statistics by the World Health Organization places glaucoma as a leading cause of blindness worldwide, affecting nearly 80 million people. Lowering intraocular pressure (IOP) is currently the only effective target for therapeutic intervention in glaucoma. IOP is mostly controlled by the outflow of the aqueous humor (AH) through the trabecular meshwork (TM). The TM and adjacent endothelium of Schlemm’s canal, known as the conventional outflow-tract, control AH outflow and thus determine IOP.

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Carbon 1d/2d Nanoelectronics : Integration And Device Applications, Zhaoying Hu Jan 2015

Carbon 1d/2d Nanoelectronics : Integration And Device Applications, Zhaoying Hu

Legacy Theses & Dissertations (2009 - 2024)

Graphene is a one-atom thick planar monolayer of sp2-bonded carbon atoms organized in a hexagonal crystal lattice. A single walled carbon nanotube (CNT) can be thought of as a graphene sheet rolled up into a seamless hollow cylinder with extremely high length-to-diameter ratio. Their ultra-thin body, large surface area, and exceptional electronic, optical and mechanical properties make these low-dimensional carbon materials ideal candidates for electronic applications. However, adopting low-dimensional carbon materials into semiconductor industry faces significant material and integration challenges. There is an urgent need for research at fundamental and applicative levels to find a roadmap for carbon nanomaterial to …

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Design And Development Of Stress Engineering Techniques For Iii-Nitride Epitaxy On Si, Jeff Leathersich Jan 2015

Design And Development Of Stress Engineering Techniques For Iii-Nitride Epitaxy On Si, Jeff Leathersich

Legacy Theses & Dissertations (2009 - 2024)

III-Nitrides have been a heavily researched material system for decades. Their material properties are favorable for a number of applications, most commonly in the optoelectronic and power device industry. Currently a majority of commercialized devices are fabricated on sapphire and SiC substrates but these are expensive and limit the widespread commercialization of the technology. There is substantial ongoing research geared toward the development of GaN on Si substrates because of the significant cost saving that would be realized through the inexpensive, large wafer and maturity of Si fabrication. Significant challenges with the deposition of GaN on Si have, thus far, …

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Bio Roll-Up: Self-Assembling Scaffolds For Tissue Engineering, Chase Austyn Brisbois May 2014

Bio Roll-Up: Self-Assembling Scaffolds For Tissue Engineering, Chase Austyn Brisbois

Nanoscale Science & Engineering (discontinued with class year 2014)

There is an unmet need for controlled, dynamic cell scaffolds that will generate 3-D monolayers of epithelial cells for medical research and tissue engineering. Here we describe a system that uses photoimageable and biocompatible HEMA-based hydrogel bilayers that self-assemble from 2-D substrates into 3-D tube-shaped structures. These structures are patterned on top of another layer that demonstrates an ability to anchor the assembled structure and control the direction and extent of selfassembly. Cell viability was determined by MTT assay which shows material components comparable with the positive control (80-110%). Finally, the masks used in the experiments herein were redesigned to …

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Development Of Antifouling Surfaces To Reduce Bacterial Attachment, Mary Viola Graham Jan 2014

Development Of Antifouling Surfaces To Reduce Bacterial Attachment, Mary Viola Graham

Legacy Theses & Dissertations (2009 - 2024)

Bacteria are exceptionally good at adhering to surfaces and forming complex structures known as biofilms. This process, known as biofouling, can cause problems for infrastructure (eg, clogging and damaging pipes), for the food industry (eg, contamination of processing surfaces and equipment, and for the medical industry (eg, contamination of indwelling medical devices). Accordingly, multiple strategies have been explored to combat biofouling, including chemical modification of surfaces, development of antibiotic coatings, and more recently, the use of engineered surface topography. When designed properly, engineered surface topographies can significantly reduce bacterial surface attachment, ultimately limiting surface colonization. In this work, we hypothesized …

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Fundamental Studies Of Supported Graphene Interfaces : Defect Density Of States In Graphene Field Effect Transistors (Fets) And Ideal Graphene - Silicon Schottky Diodes, Dhiraj Sinha Jan 2014

Fundamental Studies Of Supported Graphene Interfaces : Defect Density Of States In Graphene Field Effect Transistors (Fets) And Ideal Graphene - Silicon Schottky Diodes, Dhiraj Sinha

Legacy Theses & Dissertations (2009 - 2024)

The physics of transport in atomically thin 2D materials is an active area of research, important for understanding fundamental properties of reduced dimensional materials and for applications. New phenomena based on graphene may include properties of topologically protected insulators. Applications of these materials are envisioned in electronics, optoelectronics and spintronics.

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Investigating Quantum Oscillations In The Thermal Coefficient Of Resistivity Of Ultra-Thin Ag Capping Layers On Cu For Ic Interconnect Applications, Elroy Tatem Jan 2014

Investigating Quantum Oscillations In The Thermal Coefficient Of Resistivity Of Ultra-Thin Ag Capping Layers On Cu For Ic Interconnect Applications, Elroy Tatem

Legacy Theses & Dissertations (2009 - 2024)

As the semiconductor industry continues to scale feature sizes, scattering from phonons, surfaces, and grain boundaries result in an increase of metal interconnect resistivity in state-of-the-art integrated circuits (ICs). The interconnect chapter of the 2011 International Technology Roadmap for Semiconductors (ITRS) stated that there are currently no manufacturable solutions in the near term for suitable Cu replacements. Previous studies of thin Ag films deposited on Cu demonstrated oscillations in the electron-phonon interactions within the bilayer system. This thesis investigates oscillations in the resistive properties of the Ag/Cu bilayer system and discusses the applicability of these oscillations to the resistivity challenges …

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Investigation Of Hfox/Cu Resistive Memory For Advanced Encryption Applications, Benjamin David Briggs Jan 2014

Investigation Of Hfox/Cu Resistive Memory For Advanced Encryption Applications, Benjamin David Briggs

Legacy Theses & Dissertations (2009 - 2024)

The Advanced Encryption Standard (AES) is a widely used encryption algorithm to protect data and communications in today's digital age. Modern AES CMOS implementations require large amounts of dedicated logic and must be tuned for either performance or power consumption. A high throughput, low power, and low die area AES implementation is required in the growing mobile sector. An emerging non-volatile memory device known as resistive memory (ReRAM) is a simple metal-insulator-metal capacitor device structure with the ability to switch between two stable resistance states. Currently, ReRAM is targeted as a non-volatile memory replacement technology to eventually replace flash. Its …

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Nanostructured Tiox As A Catalyst Support Material For Proton Exchange Membrane Fuel Cells, Richard Phillips Jan 2014

Nanostructured Tiox As A Catalyst Support Material For Proton Exchange Membrane Fuel Cells, Richard Phillips

Legacy Theses & Dissertations (2009 - 2024)

Recent interest in the development of new catalyst support materials for proton exchange membrane fuel cells (PEMFCs) has stimulated research into the viability of TiO2-based support structures. Specifically, substoichiometric TiO2 (TiOx) has been reported to exhibit a combination of high conductivity, stability, and corrosion resistance. These properties make TiOx-based support materials a promising prospect when considering the inferior corrosion resistance of traditional carbon-based supports. This document presents an investigation into the formation of conductive and stable TiOx thin films employing atomic layer deposition (ALD) and a post deposition oxygen reducing anneal (PDORA). …

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Metrology Of Epitaxial Thin Films And Periodic Nanostructures Using High Resolution X-Ray Diffraction Techniques, Manasa Medikonda Jan 2014

Metrology Of Epitaxial Thin Films And Periodic Nanostructures Using High Resolution X-Ray Diffraction Techniques, Manasa Medikonda

Legacy Theses & Dissertations (2009 - 2024)

The continued scaling of device size to achieve higher performance and/or lower power operation at lower cost is driving research and development into new, 3D transistor structures such as the FinFET. This research and development effort is highlighting the need for new, advanced measurement capability that is highly accurate, reliable, rapid, and nondestructive. Periodic arrays of fin structures enable process monitoring at each level of fabrication and the maintenance of overall device yield. High resolution x-ray diffraction (HR XRD) has been shown to provide unique capability of characterizing blanket thin films and structural parameters of periodic arrays of fins fabricated …

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Genomic And Physical Analysis Of Rnr1-Containing Autophagosomes During Environmental Stress, Tamir Danon Jan 2014

Genomic And Physical Analysis Of Rnr1-Containing Autophagosomes During Environmental Stress, Tamir Danon

Legacy Theses & Dissertations (2009 - 2024)

Physical & Genetic Analysis of Rnr1 autophagosomes during the DNA damage response

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Towards A Fundamental Understanding Of Inhomogeneous Interfaces Utilizing Ballistic Electron Emission Microscopy, Robert John Balsano Jan 2014

Towards A Fundamental Understanding Of Inhomogeneous Interfaces Utilizing Ballistic Electron Emission Microscopy, Robert John Balsano

Legacy Theses & Dissertations (2009 - 2024)

A fundamental understanding of charge transport across metal/semiconductor interfaces is of great technological and scientific importance. Metal/semiconductor, or Schottky barrier devices are widely utilized in sensing applications and power electronics. Additionally, Schottky barriers appear in resistive memory technology and current transistor technology. Although Schottky interfaces are ubiquitous, the effects of spatially variant interfaces on the measured Schottky barrier height (SBH) are not entirely understood. For these reasons it is necessary to explore the spatial variation at Schottky interfaces at the nanoscale. Ballistic electron emission microscopy (BEEM) is a three terminal scanning tunneling microscopy (STM) technique used to measure hot carrier …

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Expanding Applications Of The Nano Intravital Device As A Platform For Exploring Tumor Microenvironments, Michael Padgen Jan 2014

Expanding Applications Of The Nano Intravital Device As A Platform For Exploring Tumor Microenvironments, Michael Padgen

Legacy Theses & Dissertations (2009 - 2024)

The tumor microenvironment has been demonstrated to be a key determinant in the progression of cancer. Unfortunately, the mechanisms behind the different microenvironments (cytokine gradients, hypoxia, hypoglycemia, etc) have not been fully elucidated. Identifying these mechanisms can lead to targeted, individualized therapy to prevent metastasis. The Nano Intravital Device (NANIVID) is a microfabricated, implantable device designed to initiate specific microenvironments in vivo so that the time course of the effects can be observed. With both spatial and temporal control over the induced environments, the affected regions of the tumor can be compared to the rest of the tumor. The NANIVID …

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First-Principles Study Of The Electric Field Effect On The Water-Adsorbed Rutile Titanium Dioxide Surface, Abraham L. Hmiel Jan 2014

First-Principles Study Of The Electric Field Effect On The Water-Adsorbed Rutile Titanium Dioxide Surface, Abraham L. Hmiel

Legacy Theses & Dissertations (2009 - 2024)

TiO2 is a semiconducting material that has been used extensively in many industrial applications, and recently has become a candidate for photocatalytic water splitting, fuel cell anode support materials, sensors, and other novel nanodevices. The interface of TiO2 with water, historically well-studied but still poorly understood, presents a ubiquitous environmental challenge towards the ultimate practical usefulness of these technologies. Ground-state density functional theory (DFT) calculations studying the characteristics of molecular adsorption on model surfaces have been studied for decades, showing constant improvement in the description of the energetics and electronic structure at interfaces. These simulations are invaluable in the …

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