Chemistry Commons^™

The Statue Of Liberty Laboratory Activity: The Chemistry Of Copper, Jihyun Kim, Marcus D. Allen

Open Educational Resources

In this lab activity we observe chemical changes of copper in acidic conditions, salt water, and a mixture of lemon juice and vinegar and salt, and we discuss whether the Statue of Liberty would hold as much cultural icon today had the Lady Statue remain the original shiny brown color.

Asymmetric Alpha-Stannylation Of Heterocycles And Their Subsequent Use In Cross-Coupling Reactions, Haoran Zhao

Dissertations, Theses, and Capstone Projects

α-Substituted oxygen-containing heterocycles are commonly present in biologically active molecules. Statistics shows that at least one α-substituted ether moiety appears in over 20% of the top 200 small-molecule pharmaceuticals. This project illustrates a reliable regioselective method to introduce simple cyclic ethers towards the diversification of small molecules. Aryl halides bearing various functional groups were well tolerated independent of their electronic properties. It was found that cyclohexyl spectator ligands on tin selectively slows transmetallation of undesired units, circumventing the competitive transfer of n-butyl group from ⁿBu₃SnR reagents. Compared to the normally used ⁿBu₃SnR reagents, Cy …

Excitons In Self-Assembled Hybrid Systems Of Molecular Aggregate Light-Harvesting Nanotubes: Charge-Transfer Substrates And Solution-Stabilized Nanocomposites, Kara Ng

Dissertations, Theses, and Capstone Projects

Delocalized Frenkel excitons-coherently-shared excitations among chromophores-are responsible for the remarkable effciency of supramolecular light-harvesting aggregates within photosynthetic organisms. Despite tremendous progress towards a deeper understanding of these photosynthetic complexes, as well as progress in the development of organic solar cells, the possibility of using bio-inspired molecular nanostructures for large-scale solar energy conversion has not been realized yet. The persistent limitations in translating natures design principles for applications in optoelectronic devices have been the supramolecular structures fragility, and the Frenkel excitons delicate nature. The structural instability, both dis-assembly and spontaneous re-assembly of aggregates. Analysis of the absorption spectrum of a model …

I. Selective Chlorination And Fluorination Of Quinols Ii. Synthetic Study Of Strongylophorine-26, Sihan Li

Dissertations, Theses, and Capstone Projects

Organic compounds containing halogen are an important and useful class of intermediates that can be converted to other functionalities. This thesis describes our strategy in selective chlorination and fluorination of quinols to offer the corresponding aromatic structures. Quinols, or cyclohexadienones, as oxidized derivatives of phenols, have their remarkable chemical reactivities, including additions to enone, enolate alkylations, aldol reactions, cycloadditions, and rearrangements. Dienone-phenol rearrangement provides the asymmetric route since the stereocenters located in the six-membered ring of various cyclohexadienone were widely using in building larger chiral arrays for many total syntheses

Chapter one of this thesis discusses our new selective nucleophilic …

Small Molecule Synthetic Carbohydrate Receptors, Marcelo F. Bravo Carranco

Dissertations, Theses, and Capstone Projects

Carbohydrate – receptor interactions are often involved in the attachment of viruses to host cells, and this docking is a necessary step in the virus life cycle that precedes infection and, ultimately, replication. Despite the conserved structures of the glycans involved in docking, they are still considered “undruggable”, meaning these glycans are beyond the scope of conventional pharmacological strategies. Recent advances in the development of synthetic carbohydrate receptors (SCRs) – small molecules that bind carbohydrates – could bring carbohydrate-receptor interactions within the purview of druggable targets. Here we discuss the role of carbohydrate-receptor interactions in viral infection, the evolution of …

Pointing The Zinc Finger On Protein Folding: Energetic Investigation Into The Role Of The Metal-Ion In The Metal-Induced Protein Folding Of Zinc Finger Motifs, Inna Bakman-Sanchez

Dissertations, Theses, and Capstone Projects

Interactions between inorganic metal-ion cofactors and organic protein scaffolds are important for the proper structure and function of metalloproteins. Zinc finger proteins (ZFPs) are an example of proteins with such crucial metal-protein interactions. Incorporation of the Zn(II)-ion into ZFPs allows for their correct folding into structures that can carry out vital biological functions which include gene expression and tumor suppression. In addition, engineered ZFPs have shown to be promising genetic therapeutics in the clinic. And yet, there is still a gap in a quantitative understanding of the energetic contribution of the metal-protein interactions towards the structure and function of these …

Peo-Ppo-Peo Surfactant Mixtures As Templates For Silicas With Very Large Cylindrical Mesopores At Ambient Temperature And With Helical Mesopores At Sub-Ambient Temperature, Laurance Beaton

Dissertations, Theses, and Capstone Projects

The original research described herein concerns the synthesis of mesoporous silicas through a surfactant-templating method. The approach taken involved the use of a mixed surfactant system of two poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) surfactants, with one of the copolymers containing a much larger percentage of hydrophobic (PPO) blocks than the employed co-surfactant. Systematic adjustments of experimental parameters initially enabled the preparation of 2-D hexagonally ordered mesoporous silicas (SBA-15) of uncommonly large pore diameter at ambient temperature. Comparable silica was synthesized with and without temperature control. Additional adjustments to experimental parameters, including reduction of the relative amount of framework precursor used in …

Mapping Gadolinium Contrast In A Complex Ionic And Photosynthesis Environment Of Pineapple By Near-Infrared And X-Ray Imaging, Subhendra Sarkar, Zoya Vinokur, Chen Xu, Tetiana Soloviova, Amina Shahbaz, Aldona Gjoni

Publications and Research

This work explores the diffusivity of a lanthanide complex, Eovist (Gadolinium-Ethoxy Benzyl Diethylenetriamine pentaacetate) that is stable in neutral media but is not in acidic environment. In the current work an acidic fruit model like pineapple that is rich in transition metals was used and a possible transmetallation reaction among Eovist and transition metal complexes was tested using X-ray imaging. Another goal of this work was to perturb the usual and the unusual photosynthesis systems that pineapple has maintained for millions of years during the evolution of circadian genes for efficient water conservation by dark photosynthesis. To detect such photosynthesis …

The Reduction, Sequestration, And/Or Coordination Of Technetium-99 Utilizing Polyoxometalates And Nanomaterials, Colleen Mb Gallagher

Dissertations, Theses, and Capstone Projects

Research into the sequestration of radionuclides from aqueous media is being conducted due to the contamination of aqueous waste effluents and groundwater with highly toxic long-lived radionuclides. These contaminants are introduced into water and streams from legacy nuclear sites, nuclear reactor operations, nuclear fuel reprocessing, nuclear weapons testing, and plutonium production. A major contributor (~6%) to the waste from thermal neutron fission of uranium-235 is the radionuclide technetium-99 (⁹⁹Tc). It is considered a long-lived radioisotope with a half-life of 2.1x10⁵ years. It is a weak beta emitter with a max energy of 0.29 MeV and is most …

Challenges In Quantifying Air‐Water Carbon Dioxide Flux Using Estuarine Water Quality Data: Case Study For Chesapeake Bay, Maria Herrmann, Raymond G. Najjar, Fei Da, Jaclyn R. Friedman, Marjorie A. M. Friedrichs, Sreece Goldberger, Alana Menendez, Elizabeth H. Shadwick, Edward G. Stets, Pierre St-Laurent

Publications and Research

Estuaries play an uncertain but potentially important role in the global carbon cycle via CO₂ outgassing. The uncertainty mainly stems from the paucity of studies that document the full spatial and temporal variability of estuarine surface water partial pressure of carbon dioxide ( pCO₂). Here, we explore the potential of utilizing the abundance of pH data from historical water quality monitoring programs to fill the data void via a case study of the mainstem Chesapeake Bay (eastern United States). We calculate pCO₂ and the air-water CO₂ flux at monthly resolution from 1998 to …

Identification And Quantification Of Classic, Prescription, And Synthetic Opioids In Hair By Liquid Chromatography Tandem Mass Spectrometry (Lc/Ms/Ms), Natalia A. Platosz

Student Theses

The current use and misuse of synthetic and prescription opioids in the US has reached epidemic status. According to the US Department of Health and Human Services, every day more than 130 people in the US die after overdosing on opioids, and 2.1 million had an opioid use disorder in 2016. Hair is becoming an alternative matrix of increasing interest in forensic toxicology to investigate drug use and abuse patterns due to its long window of detection. The focus of this project was to develop and validate a method that simultaneously detects and quantifies 27 classic, prescription and synthetic opioids …

Chemistry 104 Laboratory Manual, Boris Kalmatsky

Open Educational Resources

No abstract provided.

Hydrophilic Porphyrins Based Chemosensors For First Transition Series Metal Ions [Chemistry], Sunaina Singh

Open Educational Resources

General Chemistry is a two-semester course (General Chemistry I, SCC 201 and General Chemistry II, SCC 202) required for majors in Biology and Environmental Sciences.

This lab experiment, aligned to LaGuardia Community College’s Inquiry and Problem Solving Core Competency and Written Communication Ability was designed for General Chemistry I (SCC 201 Honors) course. Honors courses in LaGuardia emphasize critical thinking, analytical writing, and introduce students to research. This lab experiment provides an opportunity for students to engage in hands-on laboratory work, to develop laboratory skills, and to conduct research in the classroom by using two water soluble porphyrins to detect …

Polymers For Extrusion‐Based 3d Printing Of Pharmaceuticals: A Holistic Materials–Process Perspective, Mohammad A. Azad, Deborah Olawuni, Georgia Kimbell, Abu Zayed Badruddoza, Md. Shahadat Hossain, Tasnim Sultana

Publications and Research

Three dimensional (3D) printing as an advanced manufacturing technology is progressing to be established in the pharmaceutical industry to overcome the traditional manufacturing regime of ʹone size fits for allʹ. Using 3D printing, it is possible to design and develop complex dosage forms that can be suitable for tuning drug release. Polymers are the key materials that are necessary for 3D printing. Among all 3D printing processes, extrusion‐based (both fused deposition modeling (FDM) and pressure‐assisted microsyringe (PAM)) 3D printing is well researched for pharmaceutical manufacturing. It is important to understand which polymers are suitable for extrusion‐based 3D printing of pharmaceuticals …

The Use Of A Modified Hess’ Cognitive Rigor Matrix To Assess Students’ Depth Of Knowledge In Key Concepts Of Gas Stoichiometry And Chemical Equilibrium, Maria Greene

Dissertations, Theses, and Capstone Projects

The research presented as part of this dissertation is a combination of two separate studies conducted to assess and evaluate undergraduate general chemistry students’ understanding and depth of knowledge (DOK) of concepts in gas stoichiometry and chemical equilibrium. The two separate studies were conducted using a modified Hess Cognitive Rigor Matrix (CRM) to analyze students’ responses to multiple-choice questions (MCQ) and their written rationales to their answer choices. The Hess Cognitive Rigor Matrix, which is an incorporation and coordination of both Bloom’s and Webb’s DOK taxonomies, allowed the facilitation of the opportunity to code students’ written responses across the four …

Computational Modeling Of Charge And Excitation Energy Transfer Dynamics In Complex Environments, Ning Chen

Dissertations, Theses, and Capstone Projects

This thesis describes computational simulations of charge and exciton dynamics and quantum calculations of organic conjugated oligomers. A comprehensive computational study of charge hopping dynamics was conducted for a model of disordered chain of sites coupled to quantum environments. Time-dependent mean square displacement, diffusion constant, and mobility were calculated by three different computational methods for solving the master equation, which validate the accuracy of calculations. Approximate rate kernels were also tested to understand the effects of approximations in representing quantum environments. In addition to the effects of temperature and disorder, different values of the gradient in the site energy were …

Synthesis And Antitumor Activity Of Potentially Tumor Targeting Analogues Of The Tetrahydrofuran Containing Acetogenins, Patricia Gonzalez Periche

Dissertations, Theses, and Capstone Projects

The tetrahydrofuran containing acetogenins (THF-ACGs) are a naturally occurring class of compounds with potent toxicity against a broad range of tumors, including multidrug resistant (MDR) strains. However, the equally high toxicity to normal cells presents a hurdle for their clinical advancement. This study entails synthetic and tumor targeting strategies that are relevant to their therapeutic development.

Chapter 1 presents a review of the synthesis and biological activity of the THF-ACGs. Chapter 2 covers a modular approach for the synthesis of libraries of THF-ACGs. This strategy is illustrated in the synthesis of C-10 epimers of 4-deoxyannonomontacin (4-DAN), one of the more …

Study Of Reaction Dynamics Of Protonated/Deprotonated And Radical Cations Of Guanine In Nucleobases And Nucleosides: Singlet Oxygen Oxidation, C8-Water Addition, Cross-Linking With Lysine And Base-Pair Dissociation, Yan Sun

Dissertations, Theses, and Capstone Projects

Among the four DNA nucleobases, guanine (G) has the lowest oxidation potential and represents a preferential target for oxidation and ionization. This leads to the formation of guanine radical cation (G^•+) in various oxidative environments. Of the biologically relevant oxidants, electronically excited singlet oxygen (¹O₂) exclusively damages the guanine bases and gives rise to mutagenesis, DNA-protein cross-linking and cellular death. Combining our home-made electrospray ionization (ESI) guided-ion-beam tandem mass spectrometer, with reaction potential surface calculations and kinetics modeling, five projects have been accomplished as described below.

In project 1, the reactions of deuterated water …

Leveraging Antibodies For Positron Emission Tomography And Near-Infrared Fluorescence Imaging Of Cancer, Kimberly C. Fung

Dissertations, Theses, and Capstone Projects

The high specificity and affinity of antibodies make them attractive for developing drugs to diagnose and treat cancer. The overarching goal of this work is to explore the synthesis and use of antibody-based imaging agents in preclinical models of cancer. This work can be described as two-fold. In the first part, we investigated how the use of a glycans-specific bioconjugation strategy affects Fc gamma RI binding and why it results in improved in vivo performance of immunoconjugates. To do so, we used the clinically relevant positron emission tomography (PET) imaging agent, ⁸⁹Zr-DFO-pertuzumab, in mouse models of human breast cancer. …

Hydrophobic Fluoropolymer Nano-Coatings: Study Of Anti-Reflective And Anti-Soiling Properties And Applications, Illya Nayshevsky

Dissertations, Theses, and Capstone Projects

Anti-reflective, anti-soiling and self-cleaning coatings are currently of interest for photovoltaic (PV) cover glass applications due to their potential to increase the amount of light transmitted through the glass and improve efficiency by reducing the number of contaminants bound to the surface of the glass (soiling). Naturally occurring dew is known to exacerbate soiling via cementation of dust on the glass surface. To address these challenges, fluorinated ethylene-propylene (FEP) polymer coatings were formed on solar cover glass using a lamination-peeling technique. This process forms a thin (thick) polymer coating on the glass with a nano-texture that can be controlled by …

A Brief Introduction To The Applications Of Small Organic Molecules As Food Additives, Zhou Zhou

Open Educational Resources

A new chapter in Introductory Organic Chemistry course. Lecture PowerPoint file and laboratory document are also included in this work.

• The goal of this chapter is to cover the basic ground of the food additives from the perspective of organic chemistry. This chapter has three parts.
  • Part one: Introduction of the food additive industry including the history, definition and the purposes of food additives.
  • Part two: The terminology in food additives and in organic chemistry, how to locate trustworthy data sheets for chemicals, and how to interpret the toxicity data.
  • Part three: Different families of organic compounds used as food …

Singlet Fission In A Hexacene Dimer: Energetics Dictate Dynamics, Samuel N. Sanders, Elango Kumarasamy, Kealan J. Fallon, Matthew Y. Sfeir, Luis M. Campos

Publications and Research

Singlet fission (SF) is an exciton multiplication process with the potential to raise the efficiency limit of single junction solar cells from 33% to up to 45%. Most chromophores generally undergo SF as solid-state crystals. However, when such molecules are covalently coupled, the dimers can be used as model systems to study fundamental photophysical dynamics where a singlet exciton splits into two triplet excitons within individual molecules. Here we report the synthesis and photophysical characterization of singlet fission of a hexacene dimer. Comparing the hexacene dimer to analogous tetracene and pentacene dimers reveals that excess exoergicity slows down singlet fission, …

Sugar-Derived Oleogels In Cosmetics And Food Applications: A Case Study Of Trehalose- And Mannitol-Based Gelators, Polina Tsupko

Dissertations and Theses

Gels represent an indispensable part of our everyday lives with direct applications in food, medicine, cosmetics and other industries. Amphiphilic molecules have been shown to act as low molecular weight gelators (LMWGs) and are becoming the main focus of several research groups. Their ability to self-assemble into various morphologies from micelles to bilayer sheets, and remain stable due to noncovalent forces responsible for the formation of the 3D network—Self-Assembled Fibrillar Network (SAFiNs)—is in the core of their ability to produce molecular gels. Those amphiphilic molecules capable of adsorbing at the interface and behaving as surface active agents are known as …

Triflic Acid Mediated Sequential Cyclization Of Ortho-Alkynylarylesters With Ammonium Acetate, Maciej E. Domaradzki, Xiaochen Liu, Jiye Ong, Gyeongah Yu, Gan Zhang, Ariel Simantov, Eliyahu Perl, Yu Chen

Publications and Research

A triflic acid (TfOH) mediated sequential cyclization of ortho-alkynylarylesters and ammonium acetate (NH₄OAc) was reported. The reaction took place via a Brønsted acid-mediated intramolecular cyclization of ortho-alkynylarylesters followed by an ammonium acetate participated substitution reaction, forming isoquinolin-1-ones as the major products. Different from most of the known synthetic methods of isoquinolin-1-ones, no metal catalyst was required in the reported reaction. The regioisomers – isoindolin-1-ones were obtained together with isoquinolin-1-ones in a few cases. The intermediate compounds – isochromen-1-ones and isobenzofuran-1-ones were also isolated. The interconversion experiments showed that the regioisomers formed during the Brønsted acid induced …