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Discovery Of Ro 41-0960, A Non-Steroidal Inhibitor Of The Na+/K+-Atpase, Carlos Cruz-Cortés, Jaroslava Šeflová, Guadalupe Guerrero-Serna, Eric N. Jimenez-Vazquez Sep 2026

Discovery Of Ro 41-0960, A Non-Steroidal Inhibitor Of The Na+/K+-Atpase, Carlos Cruz-Cortés, Jaroslava Šeflová, Guadalupe Guerrero-Serna, Eric N. Jimenez-Vazquez

Health & Biomedical Sciences Faculty Publications

The Na+/K+-ATPase (NKA) is a central regulator of cardiac ion homeostasis and a validated target for heart failure. Yet, cardiotonic steroids used in clinical practice are limited by a narrow therapeutic window and pro-arrhythmic effects. Here, we identify Ro 41-0960 as a non-steroidal inhibitor of NKA with a distinct mechanistic profile. The compound inhibits NKA activity with IC50 values of 17.9 ± 1.1 µM for purified enzyme and https://doi.org/10.3 ± 1.1 µM in microsomal preparations. ATP-dependent activity measurements revealed a non-monotonic response in which inhibition was most pronounced at ATP concentrations below 4 mM and diminished …


Recent Advances In Computational Study And Design Of Mof Catalysts For Co2 Conversion, Haoyuan Chen Oct 2022

Recent Advances In Computational Study And Design Of Mof Catalysts For Co2 Conversion, Haoyuan Chen

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Catalytic conversion of the greenhouse gas CO2 into value-added chemicals and fuels is highly beneficial to the environment, the economy, and the global energy supply. Metal–organic frameworks (MOFs) are promising catalysts for this purpose due to their uniquely high structural and chemical tunability. In the catalyst discovery process, computational chemistry has emerged as an essential tool as it can not only aid in the interpretation of experimental observations but also provide atomistic-level insights into the catalytic mechanism. This Mini Review summarizes recent computational studies on MOF-catalyzed CO2 conversion through different types of reactions, discusses about the usage of various computational …


A Mixed Assessment For The Science Learning Via A Bayesian Network Representation, Zhidong Zhang, Angelica Guanzon Oct 2022

A Mixed Assessment For The Science Learning Via A Bayesian Network Representation, Zhidong Zhang, Angelica Guanzon

Teaching and Learning Faculty Publications

This study explored an alternative assessment model to examine Chemistry learners’ progress. “The Assessment of Problem-Solving in Chemistry Learning” as a model represented students’ mastery of chemistry study. The data were from journaling narratives and analyzed through cognitive task analysis. Based on the analyses, a student model was established, which represents the qualitative information in a structure, and provides a potential framework of the assessment model for the quantitative representation—a Bayesian network assessment model. The student’s performance was assessed via the Bayesian network assessment model, and classified into three categories: low level, middle level, and high level. The mastery …


Structural Analysis Of [Ni(Dippe)] Fragment Using Computational Methods, Jennifer L. Sanchez May 2022

Structural Analysis Of [Ni(Dippe)] Fragment Using Computational Methods, Jennifer L. Sanchez

Theses and Dissertations

The structural analysis of the Nickel (Bisdiisopropylphospino)ethane, also known as [Ni(dippe)H]2, has been heavily studied in our group in collaboration with William D. Jones's group. A computational analysis of the [Ni(dippe)] fragment was performed to determine the structural relationship between the nickel center and its phosphine ligand, due to phosphines having both electronic and steric properties. The reactivity of the Nickel will be most dependent on the dippe ligand. A conformational search generated 244 conformers after a thorough minimization using Molecular Mechanic (MM) calculations where a thorough minimization was performed and then re-minimized using a SEED command until unique conformers …


Studies On Regulation Of Dihydrotestosterone Binding To And Releasing From The Androgen Receptor, Tahyra M. Resto Santos May 2019

Studies On Regulation Of Dihydrotestosterone Binding To And Releasing From The Androgen Receptor, Tahyra M. Resto Santos

Theses and Dissertations

The androgen receptor (AR) is a nuclear receptor that responds to testosterone and 5α-dihydrotestosterone (DHT) by modulating gene expression in a variety of cells, including prostate and muscle tissues. Studies of small molecule interaction with AR have shown diphenyl compounds inhibiting through a binding site labeled Binding Function 3 (BF3). The goal of this research is to analyze the interaction of the BF3 site with DDT and related compounds. Amino acids that are exposed on the surface of the BF3 that might interact with different compounds were mutated. Mutant proteins were tested experimentally for their impact on the inhibition the …


Sign Me Up! Determining Motivation For High School Chemistry Students Enrolling In A Second Year Chemistry Course, Nilda N. Camarena Dec 2014

Sign Me Up! Determining Motivation For High School Chemistry Students Enrolling In A Second Year Chemistry Course, Nilda N. Camarena

Theses and Dissertations - UTB/UTPA

A sample of 108 Pre-AP Chemistry students in Texas participated in a study to determine motivational factors for enrolling in AP Chemistry and University Chemistry. The factors measured were academic attitude, perceptions of chemistry, confidence level in chemistry, and expectations/experiences in the chemistry class. Students completed two questionnaires, one at the beginning of the year and one at the end. Four high school campuses from two school districts in Texas participated. Two campuses were traditional high schools and two were smaller magnet schools. The results from this study are able to confirm that there are definite correlations between academic attitudes, …


Study On Energy Absorption Behaviors Of Hydrophobic Mesoporous Materials, Zhongyuan Sun Aug 2010

Study On Energy Absorption Behaviors Of Hydrophobic Mesoporous Materials, Zhongyuan Sun

Theses and Dissertations - UTB/UTPA

Nanoporous energy absorption system has been developed tremendously as an advanced energy storage system in recent years. This research is to optimize the mesoporous energy absorption matrixes via surface treatment to find out the optimum conditions for higher energy conversion efficiency. Five mesoporous silica matrixes with pore size in a range of 3 to 31.6 nm were investigated. Six alkylchlorosilanes were used as the modification reagents. The results showed that the energy absorption density via pressure-induced infiltration is as high as 8.0 J/g which is 100 times larger than that of conventional energy absorption materials. The controllability of the energy …


Utpa Commencement – Summer 2010, University Of Texas-Pan American Jul 2010

Utpa Commencement – Summer 2010, University Of Texas-Pan American

Edinburg Archives - Legacy Commencement Programs

No abstract provided.


Utpa Commencement – Spring 2009, University Of Texas-Pan American Apr 2009

Utpa Commencement – Spring 2009, University Of Texas-Pan American

Edinburg Archives - Legacy Commencement Programs

No abstract provided.