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University of Texas Rio Grande Valley

Chemistry Faculty Publications and Presentations

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Full-Text Articles in Physical Sciences and Mathematics

Peace With Painful Memories, Mona Muzammil, Muzammil Arshad, Washain Muzammil May 2024

Peace With Painful Memories, Mona Muzammil, Muzammil Arshad, Washain Muzammil

Chemistry Faculty Publications and Presentations

This Book helps you identify and heal from childhood emotional neglect so you can be more connected and emotionally present in your life.

Do you sometimes feel like you’re just going through the motions in life? Do you often act like you’re fine when you secretly feel lonely and disconnected? Perhaps you have a good life and yet somehow, it’s not enough to make you happy. Or perhaps you drink too much, eat too much, or risk too much to feel something good. If so, you are not alone and you may be suffering from emotional neglect.

Are you one …


Extrasynaptic Localization Is Essential For Α5gabaa Receptor Modulation Of Dopamine System Function, Alexandra M. Mccoy, Thomas D. Prevot, Md Yeunus Mian, Dishary Sharmin, Adeeba N. Ahmad, James M. Cook, Etienne L. Sibille, Daniel J. Lodge Feb 2024

Extrasynaptic Localization Is Essential For Α5gabaa Receptor Modulation Of Dopamine System Function, Alexandra M. Mccoy, Thomas D. Prevot, Md Yeunus Mian, Dishary Sharmin, Adeeba N. Ahmad, James M. Cook, Etienne L. Sibille, Daniel J. Lodge

Chemistry Faculty Publications and Presentations

Dopamine system dysfunction, observed in animal models with psychosis-like symptomatology, can be restored by targeting gamma-aminobutyric acid type A receptors (GABAARs) containing the α5, but not α1, subunit in the ventral hippocampus (vHipp). The reason for this discrepancy in efficacy remains elusive; however, one key difference is that gamma-aminobutyric acid type A receptors containing the α1 subunit (α1GABAARs) are primarily located in the synapse, whereas gamma-aminobutyric acid type A receptors containing the α5 subunit (α5GABAARs) are mostly extrasynaptic. To test whether receptor location is responsible for this difference in efficacy, we injected an siRNA into the vHipp to knock down …


Cost Analysis Of Adsorption Based Air Capture Of Co2, Mona Muzammil, Muzammil Arshad, Muazzam Arshad Nov 2023

Cost Analysis Of Adsorption Based Air Capture Of Co2, Mona Muzammil, Muzammil Arshad, Muazzam Arshad

Chemistry Faculty Publications and Presentations

Carbon dioxide (CO2) capture and conversion to value added products, such as chemicals, polymers, and carbon-based fuels represents a promising approach to transform a potential threat to the environment into a value-added product for long term sustainability. Emerging Carbon Capture Technologies: Towards a Sustainable Future provides a multidisciplinary view of the research that is being carried out in this field, covering materials and processes for CO2 capture and utilization and including a broad discussion of the impact of novel technologies in carbon capture on the energy landscape, society and climate. Of interest to students, researchers and professionals in industries related …


Youth In Danger And Students At Risk Of Dropping Out, Mamoona Muzammil, Muzammil Arshad Nov 2023

Youth In Danger And Students At Risk Of Dropping Out, Mamoona Muzammil, Muzammil Arshad

Chemistry Faculty Publications and Presentations

Bullying is any unwanted aggressive behavior(s) by another youth or group of youth that involves an observed or perceived power imbalance and is repeated multiple times or is highly likely to be repeated. Bullying may inflict harm or distress on the targeted youth including physical, psychological, social, or educational harm. Bullying can lead to fear of school, absenteeism, and stunted academic progress, which in turn are precursors to dropping out of school.

  • Effects of Bullying on Students Long lasting effects
  • School Dropout.
  • Lack of Concentration
  • Reduced Motivation
  • Less Class Participation
  • Less Attendance Lower Academic Achievement

Student Dropouts

The increase in …


Introductory Chemistry, Mona Muzammil Nov 2023

Introductory Chemistry, Mona Muzammil

Chemistry Faculty Publications and Presentations

Introductory Chemistry, this edition is designed for a one-semester, introductory or preparatory chemistry course. Students taking this course need to develop problem-solving skills-but they also must see why these skills are important to them and to their world. Introductory Chemistry extends chemistry from the laboratory to the student's world. It motivates students to learn chemistry by demonstrating how it plays out in their daily lives.

This book draws students into the course through engagement and building their foundational knowledge – while introducing new content and resources to help students build critical thinking and problem-solving skills. allowing students flexibility and ensuring …


Investigation Of The Thermodynamics For The Removal Of As(Iii) And As(V) From Water Using Synthesized Zno Nanoparticles And The Effects Of Ph, Temperature, And Time, Helia Magali Morales, Grecia Torreblanca, Arnulfo Mar, Mataz Alcoutlabi, Thomas Eubanks, Erik Plata, Jason Parsons Sep 2023

Investigation Of The Thermodynamics For The Removal Of As(Iii) And As(V) From Water Using Synthesized Zno Nanoparticles And The Effects Of Ph, Temperature, And Time, Helia Magali Morales, Grecia Torreblanca, Arnulfo Mar, Mataz Alcoutlabi, Thomas Eubanks, Erik Plata, Jason Parsons

Chemistry Faculty Publications and Presentations

In the present study, the removal of both As(III) and As(V) from aqueous solutions using synthesized ZnO nanomaterials was achieved. The ZnO nanomaterial was synthesized using a precipitation technique and characterized using XRD, SEM, and Raman spectroscopy. XRD confirmed the ZnO nanoparticles were present in the hexagonal wurtzite structure. SEM of the particles showed they were aggregates of triangular and spherical particles. The average nanoparticle size was determined to be 62.03 ± 4.06 nm using Scherrer’s analysis of the three largest diffraction peaks. Raman spectroscopy of the ZnO nanoparticles showed only ZnO peaks, whereas the after-reaction samples indicated that As(V) …


Ortho-Fluoro Effect On The C–C Bond Activation Of Benzonitrile Using Zerovalent Nickel, Sébastien Lachaize, Dominique C. Gallegos, Juliana J. Antonio, Abdurrahman C. Atesin, Tülay A. Ateşin, William D. Jones Jul 2023

Ortho-Fluoro Effect On The C–C Bond Activation Of Benzonitrile Using Zerovalent Nickel, Sébastien Lachaize, Dominique C. Gallegos, Juliana J. Antonio, Abdurrahman C. Atesin, Tülay A. Ateşin, William D. Jones

Chemistry Faculty Publications and Presentations

The effect of fluoro substitution on the C–C bond activation of aromatic nitriles has been studied by reacting a variety of fluorinated benzonitriles with the nickel(0) fragment [Ni(dippe)] and by locating the reaction intermediates and transition-state structures on the potential energy surface by using density functional theory calculations with the [Ni(dmpe)] fragment (dippe = 1,2-bis(diisopropylphosphino)ethane, dmpe = 1,2-bis(dimethylphosphino)ethane). As in the previous reports, the reaction of fluorinated benzonitriles with the [Ni(dippe)] fragment initially formed an η2-nitrile complex, which then converted to the C–CN bond activation product. Thermodynamic parameters for the equilibrium between these complexes have been determined experimentally in both …


Cooperative Heterometallic Platforms Enabling Selective C–H Bond Activation And Functionalization Of Pyridines, Manar M. Shoshani Apr 2023

Cooperative Heterometallic Platforms Enabling Selective C–H Bond Activation And Functionalization Of Pyridines, Manar M. Shoshani

Chemistry Faculty Publications and Presentations

The development of methodologies for regioselective C–H functionalization of N-heterocycles has seen sustained growth over the last two decades. Cooperative reactivity stemming from the addition of Lewis-acidic metals to late-transition-metal complexes has enabled regioselective catalytic transformations. Progress in the design of ligands and Lewis-acidic metal precursors has led to development of in situ cooperative catalysts able to facilitate C–H functionalization of pyridine at C-2, C-3, and C-4 positions. Very recently, focused efforts toward well-defined heterometallic complexes facilitating C-H bond catalysis have been targeted. Transformations showcasing regioselective C-2 transformations have been achieved. This perspective examines select examples delineating the evolution …


Amplifying Reactivity Of Metal Hydrides: A Heterotrimetallic Nial2(Μ2-H)2 Catalyst For The Dearomatization Of N-Heterocycles, Edgardo De Leon, Fernando Gonzalez, Preetika Bauskar, Sergio Gonzalez-Eymard, David De Los Santos, Manar Shoshani Mar 2023

Amplifying Reactivity Of Metal Hydrides: A Heterotrimetallic Nial2(Μ2-H)2 Catalyst For The Dearomatization Of N-Heterocycles, Edgardo De Leon, Fernando Gonzalez, Preetika Bauskar, Sergio Gonzalez-Eymard, David De Los Santos, Manar Shoshani

Chemistry Faculty Publications and Presentations

Identifying methods to modulate the reactivity of metal hydrides is lacking yet highly desirable given the role they play in a plethora of catalytic applications. Herein we report novel methodology to amplify the reactivity of metal hydrides through the design of well-defined heterometallic bridged hydride species. Catalytic hydroboration of quinolines was dramatically altered by the addition of a secondary metal to bridge the Al–hydride species LAlH. Specifically, the addition of Ni(COD)2 led to the formation of novel heterotrimetallic species 1 which features Ni participating in 3-center bonding with sterically accessible Al–H species and exhibits catalytic hydroboration of sterically encumbered quinolines …


Molecular Research In Pancreatic Cancer: Small Molecule Inhibitors, Their Mechanistic Pathways And Beyond, Shaila A. Shetu, Nneoma James, Gildardo Rivera-Sanchez, Debasish Bandyopadhyay Feb 2023

Molecular Research In Pancreatic Cancer: Small Molecule Inhibitors, Their Mechanistic Pathways And Beyond, Shaila A. Shetu, Nneoma James, Gildardo Rivera-Sanchez, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Pancreatic enzymes assist metabolic digestion, and hormones like insulin and glucagon play a critical role in maintaining our blood sugar levels. A malignant pancreas is incapable of doing its regular functions, which results in a health catastrophe. To date, there is no effective biomarker to detect early-stage pancreatic cancer, which makes pancreatic cancer the cancer with the highest mortality rate of all cancer types. Primarily, mutations of the KRAS, CDKN2A, TP53, and SMAD4 genes are responsible for pancreatic cancer, of which mutations of the KRAS gene are present in more than 80% of pancreatic cancer cases. Accordingly, there is a …


The Application Of Transition Metal Sulfide Nanomaterials And Their Composite Nanomaterials In The Electrocatalytic Reduction Of Co2: A Review, Jason Parsons, Mataz Alcoutlabi Feb 2023

The Application Of Transition Metal Sulfide Nanomaterials And Their Composite Nanomaterials In The Electrocatalytic Reduction Of Co2: A Review, Jason Parsons, Mataz Alcoutlabi

Chemistry Faculty Publications and Presentations

Electrocatalysis has become an important topic in various areas of research, including chemical catalysis, environmental research, and chemical engineering. There have been a multitude of different catalysts used in the electrocatalytic reduction of CO2, which include large classes of materials such as transition metal oxide nanoparticles (TMO), transition metal nanoparticles (TMNp), carbon-based nanomaterials, and transition metal sulfides (TMS), as well as porphyrins and phthalocyanine molecules. This review is focused on the CO2 reduction reaction (CO2RR) and the main products produced using TMS nanomaterials. The main reaction products of the CO2RR include carbon monoxide (CO), formate/formic acid (HCOO−/HCOOH), methanol (CH3OH), ethanol …


Small Molecule Egfr Inhibitors As Anti-Cancer Agents: Discovery, Mechanisms Of Action, And Opportunities, Tanzida Zubair, Debasish Bandyopadhyay Jan 2023

Small Molecule Egfr Inhibitors As Anti-Cancer Agents: Discovery, Mechanisms Of Action, And Opportunities, Tanzida Zubair, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Epidermal growth factor receptors (EGFRs) are a class of receptor tyrosine kinase that are also called ErbB1 and HER1. EGFR tyrosine kinase activity inhibition is considered a promising therapeutic strategy for the treatment of cancer. Many small-molecule inhibitors of EGFR tyrosine kinase (EGFR-TK), from medicinally privileged molecules to commercial drugs, have been overviewed. Particular attention has been paid to the structure of the molecule and its mechanism of action if reported. Subsequent classification of the molecules under discussion has been carried out. Both natural and synthetic and reversible and irreversible EGFR-tyrosine kinase inhibitors have been discussed. Various types of cancers …


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

Chemistry Faculty Publications and Presentations

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 …


Saturable Absorption Of Free-Electron Laser Radiation By Graphite Near The Carbon K-Edge, Lars Hoffmann, Sasawat Jamnuch, Craig P. Schwartz, Tobias Helk, Sumana L. Raj, Hikaru Mizuno, Riccardo Mincigrucci, Laura Foglia, Emiliano Principi, Shervin Fatehi Sep 2022

Saturable Absorption Of Free-Electron Laser Radiation By Graphite Near The Carbon K-Edge, Lars Hoffmann, Sasawat Jamnuch, Craig P. Schwartz, Tobias Helk, Sumana L. Raj, Hikaru Mizuno, Riccardo Mincigrucci, Laura Foglia, Emiliano Principi, Shervin Fatehi

Chemistry Faculty Publications and Presentations

The interaction of intense light with matter gives rise to competing nonlinear responses that can dynamically change material properties. Prominent examples are saturable absorption (SA) and two-photon absorption (TPA), which dynamically increase and decrease the transmission of a sample depending on pulse intensity, respectively. The availability of intense soft X-ray pulses from free-electron lasers (FELs) has led to observations of SA and TPA in separate experiments, leaving open questions about the possible interplay between and relative strength of the two phenomena. Here, we systematically study both phenomena in one experiment by exposing graphite films to soft X-ray FEL pulses of …


Electrospun Poly(3-Hydroxybutyrate-Co-3-Hydroxyvalerate)/Olive Leaf Extract Fiber Mesh As Prospective Bio-Based Scaffold For Wound Healing, Jose Gustavo De La Ossa, Serena Danti, Jasmine Esposito Salsano, Bahareh Azimi, Veronika Tempesti, Niccoletta Barbani, Maria Digiacomo, Marco Macchia, Mohammed Jasim Uddin, Caterina Cristallini Sep 2022

Electrospun Poly(3-Hydroxybutyrate-Co-3-Hydroxyvalerate)/Olive Leaf Extract Fiber Mesh As Prospective Bio-Based Scaffold For Wound Healing, Jose Gustavo De La Ossa, Serena Danti, Jasmine Esposito Salsano, Bahareh Azimi, Veronika Tempesti, Niccoletta Barbani, Maria Digiacomo, Marco Macchia, Mohammed Jasim Uddin, Caterina Cristallini

Chemistry Faculty Publications and Presentations

Polyhydroxyalkanoates (PHAs) are a family of biopolyesters synthesized by various microorganisms. Due to their biocompatibility and biodegradation, PHAs have been proposed for biomedical applications, including tissue engineering scaffolds. Olive leaf extract (OLE) can be obtained from agri-food biowaste and is a source of polyphenols with remarkable antioxidant properties. This study aimed at incorporating OLE inside poly(hydroxybutyrate-co-hydroxyvalerate) (PHBHV) fibers via electrospinning to obtain bioactive bio-based blends that are useful in wound healing. PHBHV/OLE electrospun fibers with a size of 1.29 ± 0.34 µm were obtained. Fourier transform infrared chemical analysis showed a uniform surface distribution of hydrophilic -OH groups, confirming the …


Ligand-Based Virtual Screening And Molecular Docking Of Benzimidazoles As Potential Inhibitors Of Triosephosphate Isomerase Identified New Trypanocidal Agents, Lenci K. Vazquez-Jimenez, Alfredo Juarez-Saldivar, Rogelio Gomez-Escobedo, Timoteo Delgado-Maldonado, Domingo Mendez-Alvarez, Isidro Palos, Debasish Bandyopadhyay, Carlos Gaona-Lopez, Eyra Ortiz-Perez, Benjamin Nogueda-Torres, Esther Ramirez-Moreno, Gildardo Rivera Sep 2022

Ligand-Based Virtual Screening And Molecular Docking Of Benzimidazoles As Potential Inhibitors Of Triosephosphate Isomerase Identified New Trypanocidal Agents, Lenci K. Vazquez-Jimenez, Alfredo Juarez-Saldivar, Rogelio Gomez-Escobedo, Timoteo Delgado-Maldonado, Domingo Mendez-Alvarez, Isidro Palos, Debasish Bandyopadhyay, Carlos Gaona-Lopez, Eyra Ortiz-Perez, Benjamin Nogueda-Torres, Esther Ramirez-Moreno, Gildardo Rivera

Chemistry Faculty Publications and Presentations

Trypanosoma cruzi (T. cruzi) is a parasite that affects humans and other mammals. T. cruzi depends on glycolysis as a source of adenosine triphosphate (ATP) supply, and triosephosphate isomerase (TIM) plays a key role in this metabolic pathway. This enzyme is an attractive target for the design of new trypanocidal drugs. In this study, a ligand-based virtual screening (LBVS) from the ZINC15 database using benzimidazole as a scaffold was accomplished. Later, a molecular docking on the interface of T. cruzi TIM (TcTIM) was performed and the compounds were grouped by interaction profiles. Subsequently, a selection of compounds was made based …


Excitation-Dependent Photoluminescence Of Bazro3:Eu3+ Crystals, Santosh K. Gupta, Hisham Abdou, Carlo U. Segre, Yuanbing Mao Aug 2022

Excitation-Dependent Photoluminescence Of Bazro3:Eu3+ Crystals, Santosh K. Gupta, Hisham Abdou, Carlo U. Segre, Yuanbing Mao

Chemistry Faculty Publications and Presentations

The elucidation of local structure, excitation-dependent spectroscopy, and defect engineering in lanthanide ion-doped phosphors was a focal point of research. In this work, we have studied Eu3+-doped BaZrO3 (BZOE) submicron crystals that were synthesized by a molten salt method. The BZOE crystals show orange–red emission tunability under the host and dopant excitations at 279 nm and 395 nm, respectively, and the difference is determined in terms of the asymmetry ratio, Stark splitting, and intensity of the uncommon 5D07F0 transition. These distinct spectral features remain unaltered under different excitations for the BZOE …


Upcycling Mask Waste To Carbon Capture Sorbents: A Combined Experimental And Computational Study, Mark Robertson, Alejandro Guillen Obando, Bianca Nunez, Haoyuan Chen, Zhe Qiang Aug 2022

Upcycling Mask Waste To Carbon Capture Sorbents: A Combined Experimental And Computational Study, Mark Robertson, Alejandro Guillen Obando, Bianca Nunez, Haoyuan Chen, Zhe Qiang

Chemistry Faculty Publications and Presentations

Massive plastic pollution and grand scale emission of CO2 into the atmosphere represent two major and deeply connected societal challenges, which can have adverse impacts on climate, human health, and marine ecosystems. In particular, the COVID-19 pandemic led to substantially increased production, use, and discarding of disposable masks, a problem that requires urgent and effective technological solutions to mitigate their negative environmental impacts. Furthermore, over the years significant research efforts have sought to address the challenges of plastic waste and CO2 emission, such as development of chemical upcycling methods and low-cost CO2 capture sorbents at scale, respectively. In this work, …


Sar Study Of Niclosamide Derivatives In The Human Glioblastoma U-87 Mg Cells, Shizue Mito, Benxu Cheng, Benjamin A. Garcia, Daniela Gonzalez, Xin Yee Ooi, Tess C. Ruiz, Francisco Xavier Elisarraras, Andrew Tsin, Sue Anne Chew, Marco A. Arriaga Aug 2022

Sar Study Of Niclosamide Derivatives In The Human Glioblastoma U-87 Mg Cells, Shizue Mito, Benxu Cheng, Benjamin A. Garcia, Daniela Gonzalez, Xin Yee Ooi, Tess C. Ruiz, Francisco Xavier Elisarraras, Andrew Tsin, Sue Anne Chew, Marco A. Arriaga

Chemistry Faculty Publications and Presentations

Glioblastoma is a lethal malignant brain tumor, and the development of efficient chemotherapeutic agents remains an urgent need. Niclosamide, an anthelmintic drug, which has been used to treat tapeworm infections more than 50 years, has recently attracted renewed attention due to its evident anticancer activities. It has been shown that niclosamide induces cytotoxicity in human glioblastoma U-87 MG cells corresponding with increased protein ubiquitination, ER stress, and autophagy. Furthermore, niclosamide showed down regulation of multiple pro-survival signaling pathways including Wnt/β-catenin, PI3K/AKT, MAPK/ERK, and STAT3, which further caused reduction of U87-MG cell viability. However, the molecular mechanisms of niclosimide and its …


Investigation On The Synthesis, Application And Structural Features Of Heteroaryl 1,2-Diketones, Robert J. Wehrle, Alexander Rosen, Thu Vu Nguyen, Kalyn Koons, Eric Jump, Mason Bullard, Natalie Wehrle, Adam Stockfish, Patrick M. Hare, Abdurrahman Atesin, Tülay A. Ateşin, Lili Ma Jul 2022

Investigation On The Synthesis, Application And Structural Features Of Heteroaryl 1,2-Diketones, Robert J. Wehrle, Alexander Rosen, Thu Vu Nguyen, Kalyn Koons, Eric Jump, Mason Bullard, Natalie Wehrle, Adam Stockfish, Patrick M. Hare, Abdurrahman Atesin, Tülay A. Ateşin, Lili Ma

Chemistry Faculty Publications and Presentations

A set of unsymmetrical heteroaryl 1,2-diketones were synthesized by a heteroarylation/oxidation sequence with up to 65% isolated yields. Palladium catalyst XPhos Pd G4 and SeO2 were the key reagents used in this methodology, and microwave irradiation was utilized to facilitate an efficient and ecofriendly process. The application of heteroaryl 1,2-diketones is demonstrated through the synthesis of an unsymmetrical 2-phenyl-3-(pyridin-3-yl)quinoxaline (5a) from 1-phenyl-2-(pyridin-3-yl)ethane-1,2-dione (4a). The lowest energy conformations of 4a and 5a were located using Density Functional Theory (DFT) at the M06-2X/def2-TZVP level of theory. Two lowest energy conformations of 4a differ with respect to the position of the N atom …


Multifunctional Nanomaterials For Energy Applications, Simas Rackauskas, Federico Cesano, Mohammed Jasim Uddin Jun 2022

Multifunctional Nanomaterials For Energy Applications, Simas Rackauskas, Federico Cesano, Mohammed Jasim Uddin

Chemistry Faculty Publications and Presentations

No abstract provided.


Inorganic Cesium Lead Mixed Halide Based Perovskite Solar Materials Modified With Functional Silver Iodide, Vincent Obiozo Eze, Lucas Braga Carani, Haimanti Majumder, M. Jasim Uddin, Okenwa Okoli May 2022

Inorganic Cesium Lead Mixed Halide Based Perovskite Solar Materials Modified With Functional Silver Iodide, Vincent Obiozo Eze, Lucas Braga Carani, Haimanti Majumder, M. Jasim Uddin, Okenwa Okoli

Chemistry Faculty Publications and Presentations

Inorganic CsPbIBr2 perovskites have recently attracted enormous attention as a viable alternative material for optoelectronic applications due to their higher efficiency, thermal stability, suitable bandgap, and proper optical absorption. However, the CsPbIBr2 perovskite films fabricated using a one-step deposition technique is usually comprised of small grain size with a large number of grain boundaries and compositional defects. In this work, silver iodide (AgI) will be incorporated as an additive into the CsPbIBr2 perovskite precursor solution to prepare the unique perovskite CsI(PbBr2)1-x(AgI)x. The AgI additive in the precursor solution works as a nucleation promoter which will help the perovskite to grow …


The Scientific Method As A Scaffold To Enhance Communication Skills In Chemistry, Thomas D. Montgomery, Joanne Rae Buchbinder, Ellen S. Gawalt, Robbie J. Iuliucci, Andrew S. Koch, Evangelia Kotsikorou, Patrick E. Lackey, Min Soo Lim, Jeffrey Joseph Rohde, Alexander J. Rupprecht May 2022

The Scientific Method As A Scaffold To Enhance Communication Skills In Chemistry, Thomas D. Montgomery, Joanne Rae Buchbinder, Ellen S. Gawalt, Robbie J. Iuliucci, Andrew S. Koch, Evangelia Kotsikorou, Patrick E. Lackey, Min Soo Lim, Jeffrey Joseph Rohde, Alexander J. Rupprecht

Chemistry Faculty Publications and Presentations

Scientific success in the field of chemistry depends upon the mastery of a wide range of soft skills, most notably scientific writing and speaking. However, training for scientific communication is typically limited at the undergraduate level, where students struggle to express themselves in a clear and logical manner. The underlying issue is deeper than basic technical skills; rather, it is a problem of students’ unawareness of a fundamental and strategic framework for writing and speaking with a purpose. The methodology has been implemented for individual mentorship and in our regional summer research program to deliver a blueprint of thought and …


Small-Molecule Ras Inhibitors As Anticancer Agents: Discovery, Development, And Mechanistic Studies, Shaila A. Shetu, Debasish Bandyopadhyay Mar 2022

Small-Molecule Ras Inhibitors As Anticancer Agents: Discovery, Development, And Mechanistic Studies, Shaila A. Shetu, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Mutations of RAS oncogenes are responsible for about 30% of all human cancer types, including pancreatic, lung, and colorectal cancers. While KRAS1 is a pseudogene, mutation of KRAS2 (commonly known as KRAS oncogene) is directly or indirectly associated with human cancers. Among the RAS family, KRAS is the most abundant oncogene related to uncontrolled cellular proliferation to generate solid tumors in many types of cancer such as pancreatic carcinoma (over 80%), colon carcinoma (40–50%), lung carcinoma (30–50%), and other types of cancer. Once described as ‘undruggable’, RAS proteins have become ‘druggable’, at least to a certain extent, due to the …


Surface Modified Hybrid Znsno3 Nanocubes For Enhanced Piezoelectric Power Generation And Wireless Sensory Application, Sk Md Ali Zaker Shawon, Zaida D. Carballo, Valeria Suarez Vega, Chen Lin, Muhammad Sufian Rafaqut, Andrew Xu Sun, James Li, Mohammed Jasim Uddin Feb 2022

Surface Modified Hybrid Znsno3 Nanocubes For Enhanced Piezoelectric Power Generation And Wireless Sensory Application, Sk Md Ali Zaker Shawon, Zaida D. Carballo, Valeria Suarez Vega, Chen Lin, Muhammad Sufian Rafaqut, Andrew Xu Sun, James Li, Mohammed Jasim Uddin

Chemistry Faculty Publications and Presentations

Piezoelectric Nanogenerators (PENGs), which can convert ambient mechanical stimuli into electrical energy, are held in high regard due to their cost-effectiveness, energy harvesting applications, and potential as self-powered sensors. We report an aluminum-doped zinc stannate (ZnSnO3) PENG that can achieve high electrical outputs with respect to the external force. In order to enrich the piezoelectric mechanics, a low-temperature solution method was adopted in our work to synthesize ZnSnO3 nanocubes with an average side length of only 30 – 55 nm. Furthermore, ZnSnO3 was doped with 1 wt% to 5 wt% of aluminum nanoparticles. We report that 2 wt% of aluminum …


Flexible Bielectrode-Based Highly Sensitive Triboelectric Motion Sensor: A Sustainable And Smart Electronic Material, Damian Zamora, Abu Masa Abdullah, Alejandro Flores, Haimanti Majumder, Muhtasim Ul Karim Sadaf, Bahareh Azimi, Serena Danti, M. Jasim Uddin Jan 2022

Flexible Bielectrode-Based Highly Sensitive Triboelectric Motion Sensor: A Sustainable And Smart Electronic Material, Damian Zamora, Abu Masa Abdullah, Alejandro Flores, Haimanti Majumder, Muhtasim Ul Karim Sadaf, Bahareh Azimi, Serena Danti, M. Jasim Uddin

Chemistry Faculty Publications and Presentations

The self-powered and autonomous sensors are incredibly important in advanced engineering, especially defence science. The increasing necessity of simple and smart electronics requires to be sustainably flexible, wearable, and waterproof. Triboelectricity has been a widely used mechanism for motion sensing nowadays. Almost all devices based on triboelectricity require contact between two surfaces. Herein, a touchless triboelectric motion sensor for human motion sensing and movement monitoring is developed. The device was primarily fabricated using simple latex (cis-1,4-polyisoprene) structures and copper (electrode materials), which make it a very cost-effective device for sensory applications. The device is tested with specimens of different areas …


Role Of Imine Isomerization In The Stereocontrol Of The Staudinger Reaction Between Ketenes And Imines, Fernando P. Cossío, Abel De Cózar, Miguel A. Sierra, Luis Casarrubios, Jaime G. Muntaner, Bimal K. Banik, Debasish Bandyopadhyay Jan 2022

Role Of Imine Isomerization In The Stereocontrol Of The Staudinger Reaction Between Ketenes And Imines, Fernando P. Cossío, Abel De Cózar, Miguel A. Sierra, Luis Casarrubios, Jaime G. Muntaner, Bimal K. Banik, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Computational–experimental analysis has allowed determining that the stereochemistry of the Staudinger reaction between ketenes and imines is strongly associated with the nature of the imine, which affects the two steps of the reaction. The first step, namely the nucleophilic attack of the sp2-hybridized nitrogen atom of the imine on the sp-hybridized carbon atom of the ketene, is affected by the energetically accessible in situ isomerization patterns of the imine. The second step consists of a conrotatory electrocyclization of the zwitterionic intermediate formed in the previous step. This latter pericyclic step depends on the inward/outward torquoelectronic effects generated by the substituents …


Piezoelectric Signals In Vascularized Bone Regeneration, Delfo D’Alessandro, Claudio Ricci, Mario Milazzo, Giovanna Strangis, Francesca Forli, Gabriele Buda, Mario Petrini, Stefano Berrettini, M. Jasim Uddin, Serena Danti, Paolo Parchi Nov 2021

Piezoelectric Signals In Vascularized Bone Regeneration, Delfo D’Alessandro, Claudio Ricci, Mario Milazzo, Giovanna Strangis, Francesca Forli, Gabriele Buda, Mario Petrini, Stefano Berrettini, M. Jasim Uddin, Serena Danti, Paolo Parchi

Chemistry Faculty Publications and Presentations

The demand for bone substitutes is increasing in Western countries. Bone graft substitutes aim to provide reconstructive surgeons with off-the-shelf alternatives to the natural bone taken from humans or animal species. Under the tissue engineering paradigm, biomaterial scaffolds can be designed by incorporating bone stem cells to decrease the disadvantages of traditional tissue grafts. However, the effective clinical application of tissue-engineered bone is limited by insufficient neovascularization. As bone is a highly vascularized tissue, new strategies to promote both osteogenesis and vasculogenesis within the scaffolds need to be considered for a successful regeneration. It has been demonstrated that bone and …


Synthesis Of Alkylthio Benzene Derivatives Via Simultaneous Diazotization And Nucleophilic Displacement, Abraham Alvarado, Juan D. Deleija, Jose J. Gutierrez Oct 2021

Synthesis Of Alkylthio Benzene Derivatives Via Simultaneous Diazotization And Nucleophilic Displacement, Abraham Alvarado, Juan D. Deleija, Jose J. Gutierrez

Chemistry Faculty Publications and Presentations

Alkylthio benzene derivatives were effectively synthesized by simultaneous diazotization of aromatic amines and nucleophilic displacement. The method is fairly general and proceeds in moderate yields. Product yields were comparable regardless of steric hindrance of the thiol or of the functional group present in the starting material. The newly developed procedure allowed for the incorporation of a tertiary alkylthio group, which cannot be easily introduced otherwise. The products were characterized by 1H NMR and 13C NMR.


Editorial: Discovery And Development Of Drugs For Neglected Diseases: Chagas Disease, Human African Trypanosomiasis, And Leishmaniasis, Gildardo Rivera, Navin B. Patel, Debasish Bandyopadhyay Oct 2021

Editorial: Discovery And Development Of Drugs For Neglected Diseases: Chagas Disease, Human African Trypanosomiasis, And Leishmaniasis, Gildardo Rivera, Navin B. Patel, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Twenty tropical diseases have been listed by the World Health Organization (WHO) as Neglected Tropical Diseases (NTDs). These tropical diseases are called “neglected” for three primary reasons: 1) These diseases are widespread worldwide among the economically weaker (neglected?) section of the society; 2) Although the total number of mortality, morbidity, disability, and health disparity caused annually by the NTDs is more than that attributed by the so-called elite diseases like cancer, diabetes, human immunodeficiency virus/acquired immunodeficiency syndrome (HIV/AIDS), cardio- or neurological diseases but NTD patients do not receive comparable attention or treatment opportunities either from the governments or healthcare professionals …