Biological and Chemical Physics Commons^™

Computational-Experimental Synergy As A Predictive And Interpretive Tool Through Metal-Organic Framework Investigations, Cristian Sayers

Graduate Student Theses and Dissertations

In the search for tunable materials platforms capable of addressing both clean energy conversion and viable post-combustion carbon capture, metal-organic frameworks (MOFs) have emerged as a uniquely versatile class of porous solids offering high specific surface area, structural tunability, and chemically addressable metal nodes and organic linkers. Realizing their potential requires understanding behavior that spans atomic-scale electronic structure and bulk-scale property response, a regime in which neither computation nor experiment alone is sufficient. This work attempts to develop a tighter integration between density functional theory (DFT) and laboratory investigation, treating the two modalities as mutually informing probes of the same …

Calculation Of Electronic Coupling Matrix Elements For Ground And Excited State Electron Transfer Reactions: Comparison Of The Generalized Mulliken–Hush And Block Diagonalization Methods, Robert Cave

All HMC Faculty Publications and Research

Two independent methods are presented for the nonperturbative calculation of the electronic coupling matrix element (Hab) for electron transfer reactions using ab initio electronic structure theory. The first is based on the generalized Mulliken–Hush (GMH) model, a multistate generalization of the Mulliken Hush formalism for the electronic coupling. The second is based on the block diagonalization (BD) approach of Cederbaum, Domcke, and co-workers. Detailed quantitative comparisons of the two methods are carried out based on results for (a) several states of the system Zn2OH2+ and (b) the low-lying states of the benzene–Cl atom complex and its contact ion pair. Generally …

Mathematics For Biomedical Physics, J Wadehra

Open Textbooks

Mathematics for Biomedical Physics is an open access peer-reviewed textbook geared to introduce several mathematical topics at the rudimentary level so that students can appreciate the applications of mathematics to the interdisciplinary field of biomedical physics. Most of the topics are presented in their simplest but rigorous form so that students can easily understand the advanced form of these topics when the need arises. Several end-of-chapter problems and chapter examples relate the applications of mathematics to biomedical physics. After mastering the topics of this book, students would be ready to embark on quantitative thinking in various topics of biology and …

Determination Of The Rydberg Constant From The Emission Spectra Of H And He+, Kyle Shaffer

Ramifications

Abstract

In this experiment, the Rydberg constants for the hydrogen atom and He⁺ were determined by analysis of the emission spectra of Hand He, respectively, in comparison to the principal quantum numbers of each transition. Using both a hydrogen and then a helium atomic lamp attached to a 0.5 m grating spectrometer and a photomultiplier detector (PMT), a change in voltage detected by the PMT can be paired with a corresponding wavelength passing through the spectrometer from each emission peak in the visible to ultraviolet range. The peaks acquired from this change in voltage were analyzed to find their …

Crystal Structure And Superconductivity Of Yba2cu3o7-X

Theses, Dissertations, and Other Capstone Projects

The crystal structure and superconducting properties of samples of YBa2Cu3O7-x with oxygen contents 0.21 ≤ x ≥ 0.67 were investigated. The crystal structure and magnetic properties change with oxygen content. All samples were found to have orthorhombic crystal structure. The lattice parameters a and c were observed to monotonically increase while b nearly monotonically decreases with decreasing oxygen content. The unit cell volume increases with decreasing oxygen content as well. The critical temperature, Tc, and the superconducting volume fraction of the samples decreased with decreasing oxygen content.

Quantifying The Locomotion Of C. Elegans And Their Response To Photo Stimulation, Ian Seddon

Honors Program Theses

Identifying the function of different locomotive genes in model organisms is crucial for genetics research. One popular approach is to analyze the behavior and motion of animals in hope of understanding subtle genetic or neural mechanisms. The nematode C. elegans has emerged as an increasingly popular organism for the study of sensory systems, specifically photo transduction, due to the fact it is still photosensitive without having eyes. Light stimulus has been shown to elicit evasive locomotive behavior in C. elegans, however little has been done to quantify this movement. Modeling the worm motion as a static sine wave, we used …

Flagellar Coordination In A Swimming Multicellular Bacterium, Melina Mati, Erandi Sachinthanie Imiya Mudiyanselage

Physics

Microbial locomotion is well understood when cells use either a small number of flagella or a high density of cilia. However many microbes live in an intermediate regime where coordination strategies such as flagellar bundles and metachronal waves are not possible. The mechanisms by which such organisms coordinate the motion of their swimming appendages are not well understood. Here, we study the only known obligatory multicellular bacterium, which are of the genus Magnetoglobus. Cells of this genus live exclusively in spherical communities called consortia, which are composed of a monolayer of tens of cells. Approximately a thousand of flagella project …

Design And Development Of Ph Sensitive Nanomedicine For Targeted Drug Delivery, Mohan Pereira

Open Access Dissertations

Targeted drug delivery has been the major topic in drug formulation and delivery. As nanomedicine emerges to create nano-scale therapeutics and diagnostics, it is still essential to embed targeting capability to these novel systems to make them useful. Design of robust nanomedicine with universal targeting capabilities could provide effective solutions to the ever increasing demand of curing and preventing major diseases.

Diseases like carcinoma & ischemia are accompanied with hypoxia and acidosis. Because of the elevated glycolysis and acidosis in the diseased cells, they show a lower pH in the surface of the cells which promotes the appearance of aggressive …

Investigation Of Molecular Footprints In Ultra-High Diluted Homoeopathic Solutions Of Arnica Montana And Rhus Toxicodendron Through Combined Infrared And Impedance Spectroscopy, Subhash Kaushik, Debadatta Nayak, Sharbadeb Kundu, Usha Rani Dash, Chirasree Roychaudhuri, Aindrila Roy, Sanatan Chattopadhyay, Rathin Chakravarty, Amit Roy Chowdhury, Ananya Barui, Subhadip Chakraborty

Indian Journal of Research in Homoeopathy

Background: The study of ultra-high diluted (UHD) solutions is a compelling and controversial domain in modern science. Despite numerous investigations and hypotheses, there is a lack of rigorous, reproducible empirical evidence supporting the existence of molecular footprints beyond the Avogadro's limit. Objective: This study conducted a detailed investigation of the molecular and electrical properties, focusing on hydrogen bonding and impedance to understand the fundamental nature of UHD solutions. Materials and methods: Combined impedance and infrared spectroscopic investigations were performed to probe the structural behaviour of relevant water networks at the molecular level of UHD alcoholic extract of Arnica montana (AM) …

Analysis Of The Influence Of Anthropometric Dimensions Of Postural Ergonomics Using Multiple Linear Regression, Gashbeen Faisal Najmaddin

Al-Bahir

Ergonomics is the study of designing and arranging a workspace or product to optimize the “fit” between people and their work, ensuring safety, comfort, and efficiency. The scientific literature indicates that ergonomic perspectives on the workplace are connected to the anthropometrics of societies. This study primarily aims to create a model that integrates multiple predictive variables to estimate the target variable. Multiple linear regression analysis is used to identify how different anthropometric dimensions predict postural ergonomics during prolonged sitting. Based on the regression models’ results, the predicted can be calculated using user anthropometry and existing chair dimensions. Furthermore, the primary …