Exploring Possible Fragmentation Patterns of 1-Bromobutane Using Time-of-Flight Mass Spectrometry and Computational Modeling

Description

The photodissociation of 1-bromobutane is explored using pump-probe spectroscopy and time-of-flight mass spectrometry. Fragments of bromobutane are constructed computationally and theoretical energies are calculated using Gaussian 16 software. It is determined that the dissociation of bromine from the parent molecule

The photodissociation of 1-bromobutane is explored using pump-probe spectroscopy and time-of-flight mass spectrometry. Fragments of bromobutane are constructed computationally and theoretical energies are calculated using Gaussian 16 software. It is determined that the dissociation of bromine from the parent molecule is the most observed fragmentation pathway arising from the excitation of the ground state parent molecule to a dissociative A state using two 400 nm, 3.1 eV pump photons. The dissociation energy of this pathway is 2.91 eV, leaving 3.3 eV of energy that is redistributed into the product fragments as vibrational energy. C4H9 has the highest relative intensity in the mass spectrum with a relative intensity of 1.00. It is followed by C2H5 and C2H4 at relative intensities of 0.73 and 0.29 respectively. Because of the negative correlation between C4H9 and these two fragments at positive time delays, it is concluded that most of these smaller molecules are formed from the further dissociation of the fragment C4H9 rather than any alternative pathways from the parent molecule. Thermodynamic analysis of these pathways has displayed the power of thermodynamic prediction as well as its limitations as it fails to consider kinetic limitations in dissociation reactions.

Date Created
2023-05
Agent

Searching for a Connection between Maximum Entropy and the Arrow of Time

Description

We implemented the well-known Ising model in one dimension as a computer program and simulated its behavior with four algorithms: (i) the seminal Metropolis algorithm; (ii) the microcanonical algorithm described by Creutz in 1983; (iii) a variation on Creutz’s time-reversible

We implemented the well-known Ising model in one dimension as a computer program and simulated its behavior with four algorithms: (i) the seminal Metropolis algorithm; (ii) the microcanonical algorithm described by Creutz in 1983; (iii) a variation on Creutz’s time-reversible algorithm allowing for bonds between spins to change dynamically; and (iv) a combination of the latter two algorithms in a manner reflecting the different timescales on which these two processes occur (“freezing” the bonds in place for part of the simulation). All variations on Creutz’s algorithm were symmetrical in time, and thus reversible. The first three algorithms all favored low-energy states of the spin lattice and generated the Boltzmann energy distribution after reaching thermal equilibrium, as expected, while the last algorithm broke from the Boltzmann distribution while the bonds were “frozen.” The interpretation of this result as a net increase to the system’s total entropy is consistent with the second law of thermodynamics, which leads to the relationship between maximum entropy and the Boltzmann distribution.

Date Created
2023-05
Agent

Founder's Lab - Agrix Paper

Description

Startups in the paper manufacturing industry are few and far between. Agrix paper takes a step towards innovating the traditional mass-scale paper making process and introduces non-wood fiber sourcing into the papermaking space. Using a hemp fiber base, Agrix Paper

Startups in the paper manufacturing industry are few and far between. Agrix paper takes a step towards innovating the traditional mass-scale paper making process and introduces non-wood fiber sourcing into the papermaking space. Using a hemp fiber base, Agrix Paper hopes to develop a new paper manufacturing process that derives high-quality paper sourced from hemp and agriculture waste. Agrix Paper will reinvent the papermaking process for a more green and sustainable future.

Date Created
2023-05
Agent

Modeling the Formation and Thermal Evolution of Asteroid Itokawa's Parent Body

Description

Most asteroids originated in larger parent bodies that underwent accretion and heating during the first few million years of the solar system. We investigated the parent body of S-type asteroid 25143 Itokawa by developing a computational model which can approximate

Most asteroids originated in larger parent bodies that underwent accretion and heating during the first few million years of the solar system. We investigated the parent body of S-type asteroid 25143 Itokawa by developing a computational model which can approximate the thermal evolution of an early solar system body. We compared known constraints on Itokawa’s thermal history to simulations of its parent body and constrained its time of formation to between 1.6 and 2.5 million years after the beginning of the solar system, though certain details could allow for even earlier or later formation. These results stress the importance of precise data required of the material properties of asteroids and meteorites to place better constraints on the histories of their parent bodies. Additional mathematical and computational details are discussed, and the full code and data is made available online.

Date Created
2023-05
Agent

A Comparative Analysis of Risk Measure Calculation Methods in the Health Insurance Market

Description

Regulation in the insurance market has increased greatly over the past four decades, and recent regulatory frameworks such as Solvency II have made simulations increasingly important. Monte Carlo simulations are often too inefficient to be used by themselves, and these

Regulation in the insurance market has increased greatly over the past four decades, and recent regulatory frameworks such as Solvency II have made simulations increasingly important. Monte Carlo simulations are often too inefficient to be used by themselves, and these Monte Carlo simulations begin to struggle when the complexity of insurance contracts increases. For that reason, there have been numerous suggested improvements to traditional MC methods such as the sample recycling method and a neural network method. This thesis will review various risk measures, the methods used to calculate them, and a detailed analysis of the neural network method and the sample recycling method. The sample recycling method and the neural network method will then be analyzed in detail, and a comparative analysis of the sample recycling method and the neural network method will be given. It was discovered that both the sample recycling method and the neural network method provide a large improvement in computational cost and overall run time with minor impacts on the accuracy. Thus, it was concluded that the sample recycling method is best suited for contracts where the inner loop estimations are particularly complex and the neural network is a general method that pairs well with complex input portfolios.

Date Created
2023-05
Agent

An analysis of the relationship between the planetary boundary layer and surface level ozone concentrations in Phoenix, Arizona

Description
This study examines the linkage between surface level ozone and planetary boundary layer meteorological variables in the Phoenix Metropolitan region during the summer North American Monsoon period for years 2010 through 2020. Data used in this study was obtained and

This study examines the linkage between surface level ozone and planetary boundary layer meteorological variables in the Phoenix Metropolitan region during the summer North American Monsoon period for years 2010 through 2020. Data used in this study was obtained and derived from both 1200 UTC radiosonde observations launched from the Phoenix National Weather Service office, and 8-hour average ozone concentration measurements from Maricopa County monitoring stations. Specific boundary layer meteorological variables examined in this study included inversion temperature, mixing level pressure, mixing level height, and the surface level variables of temperature, dew point temperature, pressure, wind speed, and meridional and zonal wind directions. The daily maximum, 8-hour average ozone concentrations among all Maricopa County monitoring stations were used in this study. To determine ozone’s linkage to meteorological variables, normality tests, determination of Pearson product moment correlation coefficient and/or the Spearman rank correlation coefficient, and the discriminative Student’s two-sided t-test statistic between ozone exceedance and non-exceedance days were used. Statistically significant coefficients indicate weak negative correlations between surface level ozone and surface level pressure, and mixing level pressure, and weak positive correlations between surface level ozone and surface level temperature, surface level zonal wind direction, mixing level height, and inversion temperature. These correlations were linear for surface level pressure, surface level temperature, and inversion temperature. The two-sided Student’s t-test statistic indicates a significant difference in the mean on ozone exceedance and non-exceedance days for surface level temperature, and the upper-air variables of mixing level height, mixing level pressure, and inversion temperature. Both correlations and differences in the mean of upper-air variables showed statistically significant results. These findings suggest that further research should be completed to determine the forecasting ability of morning sounding analyses on surface level ozone in locations exhibiting similar emissions and geographic features as the Phoenix Valley.
Date Created
2023-05
Agent

An Investigation into the LLPS Effects of Radical Interactions on Intrinsically Disordered Proteins

Description

This qualitative study sought to investigate the potential reaction between the 3,3',5,5'-tetramethylbenzidine (TMB) radical and LAF-1 RGG, the N-terminus domain of an RNA helicase which functions as a coacervating intrinsically disordered protein. The study was performed by adding horseradish peroxidase

This qualitative study sought to investigate the potential reaction between the 3,3',5,5'-tetramethylbenzidine (TMB) radical and LAF-1 RGG, the N-terminus domain of an RNA helicase which functions as a coacervating intrinsically disordered protein. The study was performed by adding horseradish peroxidase to a solution containing TMB and either LAF-1 or tyrosine in various concentrations, and monitoring the output through UV-Vis spectroscopy. The reacted species was also analyzed via MALDI-TOF mass spectrometry. UV-Vis spectroscopic monitoring showed that in the presence of LAF-1 or tyrosine, the reaction between HRP and TMB occurred more quickly than the control, as well as in the highest concentration of LAF-1, the evolution of a peak at 482 nm. The analysis through MALDI-TOF spectrometry showed the development of a second peak likely due to the reaction between LAF-1 and TMB, as the Δ between the peaks is 229 Da and the size of the TMB species is 240 Da.

Date Created
2022-12
Agent

Treasure Hunting in the Classical Double Copy

Description

The classical double copy maps exact solutions of general relativity to exact solutions of U(1) Yang-Mills theory and suggests a hitherto unknown connection between gravity and gauge theory. In this thesis I study three problems using the Kerr-Schild and Weyl

The classical double copy maps exact solutions of general relativity to exact solutions of U(1) Yang-Mills theory and suggests a hitherto unknown connection between gravity and gauge theory. In this thesis I study three problems using the Kerr-Schild and Weyl formulations of the classical double copy. Using the Kerr-Schild double copy, I analyze the single copy of a rotating nonsingular black hole and analyze its horizon structure to probe the relationship between the presence of horizons on the gravity side and the single copy field on the gauge theory side. In the second problem I describe the mapping between the surface gravity of static spherically symmetric black holes and the force on a test particle due to the single copy field of the black hole. I also describe potential routes to extending this map to rotating black holes. Finally, inspired by the extended Weyl double copy for spacetimes possessing sources, I reinterpret the single copy of the Taub- NUT metric as being comprised of two terms each being sourced by a separate parameter (the mass and the NUT charge).

Date Created
2022-12
Agent

A Students’ Guide to Special Functions

Description

This document is a guide that can be used by undergraduate physics students alongside Richard J. Jacob and Professor Emeritus’s Tutorials in the Mathematical Methods of Physics to aid in their understanding of the key mathematical concepts from PHY201 and

This document is a guide that can be used by undergraduate physics students alongside Richard J. Jacob and Professor Emeritus’s Tutorials in the Mathematical Methods of Physics to aid in their understanding of the key mathematical concepts from PHY201 and PHY302. This guide can stand on its own and be used in other upper division physics courses as a handbook for common special functions. Additionally, we have created several Mathematica notebooks that showcase and visualize some of the topics discussed (available from the GitHub link in the introduction of the guide).

Date Created
2022-12
Agent

A Students' Guide to Special Functions

Description
This document is a guide that can be used by undergraduate physics students alongside Richard J. Jacob and Professor Emeritus’s Tutorials in the Mathematical Methods of Physics to aid in their understanding of the key mathematical concepts from PHY201 and

This document is a guide that can be used by undergraduate physics students alongside Richard J. Jacob and Professor Emeritus’s Tutorials in the Mathematical Methods of Physics to aid in their understanding of the key mathematical concepts from PHY201 and PHY302. This guide can stand on its own and be used in other upper division physics courses as a handbook for common special functions. Additionally, we have created several Mathematica notebooks that showcase and visualize some of the topics discussed (available from the GitHub link in the introduction of the guide).
Date Created
2022-12
Agent