Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 6 of 6
Full-Text Articles in Physical Sciences and Mathematics
The Bioaccessibility Of Methylmercury In Rice And Fish, Michael Angelo Ojeda
The Bioaccessibility Of Methylmercury In Rice And Fish, Michael Angelo Ojeda
Undergraduate Research at FIU (URFIU) Conference
Traditionally, fish is considered as the major source for humans exposed to methylmercury (MeHg), which is a highly toxic contaminant,-however recent study has shown that consumption of rice could be another MeHg exposure pathway to human beings. To evaluate the potential health risk caused by consumption of rice and rice product contraining MeHg, not only amount but also the bioaccessibility of MeHg in rice and rice products are required, because the amounts of methylmercury in samples is an overestimate and does not provide the accurate fraction that is mobilized from the food source. An in vitro digestive method was used …
Crude Oil Characterization Using Sara Fractionation And Gc-Ms, Nicholas Hernandez
Crude Oil Characterization Using Sara Fractionation And Gc-Ms, Nicholas Hernandez
Undergraduate Research at FIU (URFIU) Conference
Crude oil is a naturally-occurring liquid mixture, composed of hydrocarbons as well as oxygen, nitrogen and sulfur-containing compounds. While previous research has been able to identify broad differences between classes of crude oil, the elucidating the structure of compounds within oils remains elusive, especially for heavier compounds. To determine the composition of Boscan, a heavy crude oil, SARA fractionation was performed to separate the sample into 4 different classes of chemical compounds: saturated hydrocarbons, aromatic compounds, resins, and asphaltenes. A sample of oil was chromatographically separated on activated alumina using solvents of increasing polarity. Each fraction was analyzed using gas …
Molecular Modeling Of Conformational Space Of The Knot Protein Yibk, Daniel Gimeno
Molecular Modeling Of Conformational Space Of The Knot Protein Yibk, Daniel Gimeno
Undergraduate Research at FIU (URFIU) Conference
Structurally, proteins follow entropy favorable layouts that have high stability while performing their function. Knots are typically not observed due the amount of energy needed to form this structure outweighed the stability of the protein. Despite this, there are several rare proteins whose polypeptide backbone form knotted configurations. YibK is one such protein with a trefoil knot (e.g., 3-1 knot) in its carboxy terminus. These proteins reveal interesting topographies with less entropy than if the protein were compressed. In the present work, we studied the main interactions involved in the folding pathway of YibK, based on molecular dynamics (MD) simulations …
Software Assisted Molecular Elucidation Based On Timsft- Icr Ms/Ms Analysis Of Complex Mixtures, Carlos Acosta
Software Assisted Molecular Elucidation Based On Timsft- Icr Ms/Ms Analysis Of Complex Mixtures, Carlos Acosta
Undergraduate Research at FIU (URFIU) Conference
The determination of the chemical structure of a molecule within a complex mixture is a challenging analytical problem. In the present work, we describe a workflow based on the analytical characterization of complex mixtures using complementary Trapped Ion Mobility Separation and ultra-high resolution FT-ICR mass separation (TIMS-FT-ICR MS/MS) for the analysis of complex mixtures (e.g., crude oils and dissolved organic matter). In particular, we take advantage of the high mobility resolution and high mass accuracy of TIMS-FT-ICR MS/MS to generate candidate structures using a custom developed theoretical workflow for Software Assisted Molecular Elucidation (SAME) based on the ion-neutral collision cross …
Terpene Adsorption Analysis In Tedlar Air Sampling Bags, Jeremy B. Guedes, Alison G. Simon
Terpene Adsorption Analysis In Tedlar Air Sampling Bags, Jeremy B. Guedes, Alison G. Simon
Undergraduate Research at FIU (URFIU) Conference
Tedlar® air sampling bags, which are composed of a polyvinyl fluoride polymer, are the EPA recommended bags used in several whole-air sampling and analytical methods for determining the presence of volatiles. Recent studies suggest that compounds which exhibit hydrogen bonding, as well as those that have a low vapor pressure, will tend to adsorb to the Tedlar® bags at a high rate. Furthermore, alkenes seem to display significant adsorption rates. For example, terpenes are a type of volatile organic compound (VOC) which contain the alkene functional group, and are found in oils produced by plants and some insects. In the …
Molecular Modeling Of The Conformational Space Of The Knot Protein Dehl, Virgilio Velasco
Molecular Modeling Of The Conformational Space Of The Knot Protein Dehl, Virgilio Velasco
Undergraduate Research at FIU (URFIU) Conference
Knot conformations in proteins are folding patterns in the amino acid chain that lead to the formation of a knot via pathways that are not yet understood. The bacteria Pseudomonas putida expresses a protein known as DehI, that serves as a halo acid dehalogenase. The tertiary conformation of DehI in the native state is a Stevedore 6-1 knot, making it one of the most complex of its kind. In the present work, we studied the influence of the charge state on the folding dynamics of the knot protein DehI. Briefly, the conformational space of DehI was sampled by coarse molecular …