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Full-Text Articles in Chemistry

New Ways To Improve Dispersibility Of Nanotubes: Approaching From The Formation Of Silicon Nanoparticles By High Energy Reactive Ball Milling (Herbm) In Polar Solvents, Julie P. Vanegas, Yolanda V. Gutierrez, Joaquin Rivera, Juan García Jr. Mar 2024

New Ways To Improve Dispersibility Of Nanotubes: Approaching From The Formation Of Silicon Nanoparticles By High Energy Reactive Ball Milling (Herbm) In Polar Solvents, Julie P. Vanegas, Yolanda V. Gutierrez, Joaquin Rivera, Juan García Jr.

Research Symposium

Background: This research aims to synthesize stable silicon nanoparticles using different molar ratios of N-Cyclohexyl-2-pyrrolidone (CHP) and Silicon to demonstrate if there is any significance towards the production of effective nanotubes. To determine this, the synthesized nanoparticles will be characterized by scanning electron microscopy (SEM), UV visible absorption spectroscopy, and photoluminescence spectroscopy (PL).

Methods: 50 Mg of silicon wafer are added with differing ratios of ligand (CHP), 5mL of water, and 3 steel iron balls into a ball milling vial. Vials are then placed into a ball milling apparatus for 7 cycles or 3.5 hours. Once the cycles are complete, …


Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin Mar 2024

Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin

Research Symposium

Carbon–carbon (C–C) bond activation has gained increased attention as a direct method for the synthesis of pharmaceuticals. Due to the thermodynamic stability and kinetic inaccessibility of the C–C bonds, however, activation of C–C bonds by homogeneous transition-metal catalysts under mild homogeneous conditions is still a challenge. Most of the systems in which the activation occurs either have aromatization or relief of ring strain as the primary driving force. The activation of unstrained C–C bonds of phosphaalkynes does not have this advantage. This study employs Density Functional Theory (DFT) calculations to elucidate Pt(0)-mediated C–CP bond activation mechanisms in phosphaalkynes. Investigating the …


Assessment Of Mucin 13 (Muc13) As An Imaging Target For Guiding Colorectal Cancer Treatment: A Pathway Towards Theranostic Development, Ryan P. Coll, Aiko Yamaguchi, Jianbo Wang, Xiaoxia Wen, Denise Hernandez, Subhash C. Chauhan, H. Charles Manning Mar 2024

Assessment Of Mucin 13 (Muc13) As An Imaging Target For Guiding Colorectal Cancer Treatment: A Pathway Towards Theranostic Development, Ryan P. Coll, Aiko Yamaguchi, Jianbo Wang, Xiaoxia Wen, Denise Hernandez, Subhash C. Chauhan, H. Charles Manning

Research Symposium

Background: A theranostic strategy combining diagnostic imaging and targeted therapy in a single regimen is proposed for improved management and treatment of colorectal cancer (CRC). Increased specificity in detection by the noninvasive imaging technique positron emission tomography (PET) can be achieved by radiolabeling antibodies (Abs) designed to target tumor-associated antigens with increased expression post-translational modifications present in cancer cells. In this study, an Ab designed to target the transmembrane glycoprotein mucin 13 (MUC13) was radiolabeled with the positron-emitting radionuclide zirconium-89 (89Zr) for PET imaging of a xenograft mouse model of CRC. Specified uptake of this radioimmunoconjugate was observed …


Thin Film Piezoelectric Energy Harvesting Nanostructured Materials: Tailoring Size, Porosity, Morphology Of Zinc Stannate Perovskites (Abx3), Christopher Munoz Dec 2023

Thin Film Piezoelectric Energy Harvesting Nanostructured Materials: Tailoring Size, Porosity, Morphology Of Zinc Stannate Perovskites (Abx3), Christopher Munoz

Theses and Dissertations

Three dimensional (3D) piezoelectric zinc stannate (ZnSnO3) nanoweb arrays are synthesized using a combination of treatment methods deposited in PDMS thin films for electrochemical analysis of its piezoelectric response. Advantages of hydrothermal, molten salt, and solvothermal synthesis methods were leveraged to facilitate several chemical and surface engineering techniques. The combination of these treatments reduce the size of zinc stannate to approximately ~40nm-80nm weblike networks, much smaller than previously reported ZnSnO3 sub-micro cubes. Scanning electron microscopy (SEM) and X-Ray Diffraction (XRD) analysis reveal a mesoporous protonated tristannate (H2Sn3O7) nanoweb template with connecting wirelike strands having diameters ranging from 12-27nm across and …


Electrolysis Degradation Of Cyanuric Acid In Wastewater At Cu/Go Cathodes, Chioma Chinwe Nwakanobi Dec 2023

Electrolysis Degradation Of Cyanuric Acid In Wastewater At Cu/Go Cathodes, Chioma Chinwe Nwakanobi

Theses and Dissertations

This work evaluates the development of electrochemical processes for the oxidative degradation of persistent organic chemicals in waste waters, specifically the oxidation of cyanuric acid in the presence of NaCl at Cu/GO cathodes and Ti anodes. The experiment used a graphene oxide doped copper mesh cathode to examine different concentrations of cyanuric acid (30 mg/L, 40 mg/L, and 50 mg/L) and various concentrations of NaCl electrolyte (0.007mol/L, 0.03mol/L, 0.07mol/L, 0.1mol/L, and 0.2mol/L). In addition, the effect of pH (2, 4, 6, and 8), and applied current (0.200A, 0.150A and 0.100A) were studied. The Cu/GO electrode played a central role in …


Chemical Investigation Of Dichloromethane Extract Of Aloe Vera Peels: An Agricultural Waste, Nazmul Huda Dec 2023

Chemical Investigation Of Dichloromethane Extract Of Aloe Vera Peels: An Agricultural Waste, Nazmul Huda

Theses and Dissertations

Aloe barbadensis Miller, commonly called Aloe Vera, is a widely popular succulent plant species cultivated across subtropical regions worldwide from India to the Tex-Mex border. Besides its historical uses, Aloe juice has garnered attention as a potential remedy for various ailments, particularly in treating various skin conditions and facilitating wound recovery, including obesity, diabetes, hepatitis, Crohn's disease, and ulcerative colitis. Regrettably, the agricultural practice following sap extraction involves discarding Aloe vera peels, constituting agricultural waste. As part of our continuous research on extraction, isolation, separation, and spectral characterization of value-added chemicals present in waste botanicals herein, …


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 …


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 …


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) …


Manufacturing Of A Flexible Piezoelectric Nanogenerator By Functionalizing Polyvinylidene Fluoride With Lithium Tantalate And Multiwalled Carbon Nanotubes For Energy Harvesting And Sensing Applications, Islam Uddin Shipu Aug 2023

Manufacturing Of A Flexible Piezoelectric Nanogenerator By Functionalizing Polyvinylidene Fluoride With Lithium Tantalate And Multiwalled Carbon Nanotubes For Energy Harvesting And Sensing Applications, Islam Uddin Shipu

Theses and Dissertations

Mechanical energy is one of the readily accessible green energy sources that could be employed to meet the small-scale energy requirement. In order to capture mechanical energy, power the next generation of electronic gadgets, and health monitoring flexible piezoelectric nanogenerators made of light weight polymers and carbon nanotubes have drawn a lot of attention. Lithium tantalate (LiTaO3), a ferroelectric substance, was prepared here and utilized to create a flexible piezoelectric nanogenerator (FPNG). A compact piezoelectric nanogenerator that successfully transfers mechanical energy into electricity was then created using lightweight polyvinylidene fluoride (PVDF), multi-walled carbon nanotube (MWCNT), and LiTaO3 nanoparticles. To create …


Indium Doped Zinc Stannate-Pdms Based Piezoelectric Generator For Harvesting Mechanical Energy And Sensory Application, Tamanna Zakia Aug 2023

Indium Doped Zinc Stannate-Pdms Based Piezoelectric Generator For Harvesting Mechanical Energy And Sensory Application, Tamanna Zakia

Theses and Dissertations

Piezoelectric materials are comparatively new among other alternative energy sources. Harvesting waste mechanical energy through these materials can be a potential solution of the increasing energy demand. In response to applied mechanical stress, piezoelectric materials accumulate electric charges on their surface. Upon connecting with a circuit, accumulated charges can flow and generate electricity. Based on this hypothesis piezoelectric nano-generator has been fabricated. Binary semiconducting oxides such as ZnO, TiO2 and SnO2 have attracted immense interest as they have unique properties of electron mobility. However, there is always a need for specially designed semiconductors to better match with the properties. This …


Organocatalyzed Four-Component On-Water Green Synthesis Of Spiroindolinpyranopyrazole, Tanzida Zubair Aug 2023

Organocatalyzed Four-Component On-Water Green Synthesis Of Spiroindolinpyranopyrazole, Tanzida Zubair

Theses and Dissertations

Although many synthetic and natural pharmaceuticals and drug-like compounds contain spiro center(s) in their structures, the synthesis of spiro centers is seen to be an exciting and difficult area of research. The synthesis of spiro compounds and their derivatives was carried out using a four-component process that included reagents like hydrazine hydrate, isatin, malononitrile, and an active methylene compound like ethyl acetoacetate. Microwave irradiation was used in a short time range (5 – 30 min) and moderate temperature (80°C), with water as a solvent, and N, N-Diisopropylethylamine (DIPEA) as a catalyst to give high yield of products. Our process complies …


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 …


Microwave-Assisted Depolymerization Of Poly (Ethylene Terephthalate) Via Ethanolysis, Mayra Alejandra Gomez Cortez May 2023

Microwave-Assisted Depolymerization Of Poly (Ethylene Terephthalate) Via Ethanolysis, Mayra Alejandra Gomez Cortez

Theses and Dissertations

In the search of providing an alternative form of combating the complex environmental concerns rising from the rapid growth of poly (ethylene terephthalate) waste in the world, this research focused on investigating the chemical recycling of PET via ethanolysis. Parameters such as temperature, reaction time, catalyst usage and concentration were investigated to promote depolymerization.

In this work, ethanolysis of waste PET under microwave irradiation was investigated using organocatalysts 1,5,7-Triazabicyclo [4.4.0] dec5-ene (TBD) and 1,8-Diazabicyclo [5.4.0] underc-7-ene (DBU). We evaluated the effectiveness of reaction conditions through a series of experiments and determined the optimum conditions as follows: 0.5 g of PET, …


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 …


Green Synthesis Of Spiro Compounds And The Phytochemical Investigation Of Diethyl Ether Fraction Of Camu-Camu (Myrciaria Dubia) Leaves, Judith Anane Dec 2022

Green Synthesis Of Spiro Compounds And The Phytochemical Investigation Of Diethyl Ether Fraction Of Camu-Camu (Myrciaria Dubia) Leaves, Judith Anane

Theses and Dissertations

There are a lot of lucrative plant species found in the Amazon and camu-camu (Myrciaria dubia (H.B.K.) Mc Vaugh) is distinct among them. This is due to its exceptional Vitamin C content which varies from 1600 to 6112 mg/100g of pulp. Besides the fruits which is popularly used, different parts of camu-camu plants including the stems, leaves, seeds, barks, and roots are also traditionally used in folklore practices for treating various ailments and diseases and research has showed the presence of antioxidant, antimicrobial, anticancer, anti-inflammatory agents present in these parts. In this study, the characterization of a bioactive compound, …


Dft Investigation Of Lewis Acid Assisted C-Cn Bond Activation Of Benzonitrile With [Ni(Dmpe)] Fragment, Lubna Kader Dec 2022

Dft Investigation Of Lewis Acid Assisted C-Cn Bond Activation Of Benzonitrile With [Ni(Dmpe)] Fragment, Lubna Kader

Theses and Dissertations

There has been recent interest in the field of organometallics with C—C bond activation of organic substrates that are mediated by transition metal complexes. The bond activation of C—C bonds is important, not only in organic synthesis but also in industrial processes. However, the activation of these bonds remains difficult since they are thermodynamically more stable and sterically less available to activate than the activation of the C—H bond. Most of the successful C—C cleavage uses the relief of ring strain, achievement of aromaticity, or proximity, as the driving force for the reaction.3 Another strategy is the use of a …


Synthesis Of Bioactive Heterocycles, Shaila Akter Shetu Dec 2022

Synthesis Of Bioactive Heterocycles, Shaila Akter Shetu

Theses and Dissertations

The Discovery of a variety of heterocyclic drugs for the treatment of cancer and other diseases (e.g, neglected tropical diseases) is a medical breakthrough and inspiring for the research community as a whole. A wide range of natural, semi-synthetic, and synthetic anticancer drugs are synthesized using various methods. Among them, β -lactams stand out as a novel class of antibiotics that has different types of biological as well as anti-cancer properties. β -lactam has become a premier and active research subject towards the development of revolutionary anti-cancer drugs. In recent years, a large amount of investigations have been done to …


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, …


Synthesis And Processing Of Polymeric Materials For Hydrogen Storage, Dominic Adrewie Aug 2022

Synthesis And Processing Of Polymeric Materials For Hydrogen Storage, Dominic Adrewie

Theses and Dissertations

Hydrogen is one of the most promising alternatives and clean fuel sources, but it has faced several hurdles due to storage and transportation issues. Several methods have been proposed, developed, and are being improved. Key among these is the use of polymers as safe hydrogen storage media.

This work investigated the polymerization of methyl vinyl ketone using different concentrations 2,2’-Azobis(2-methylpropionitrile) as the initiator in a free radical polymerization mechanism. There was a subsequent analysis of the effect of the initiator concentration on the conversion rate and the molecular weight of the polymers produced with the help of Gel permeation chromatography. …