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An Entirely New Molecular Glue For Mof Using Unusual Structural Transformation Of A Coordination Polymer, Sukwoo Jung, Hangyeol Kim, Junseok Ahn 2018 Korea Science Academy

An Entirely New Molecular Glue For Mof Using Unusual Structural Transformation Of A Coordination Polymer, Sukwoo Jung, Hangyeol Kim, Junseok Ahn

The International Student Science Fair 2018

In this research, an entirely new molecular glue is reported. This ‘coordination polymer glue’ is synthesized from zinc metal and BDC-NPE(2,5-bis{4-[1-(4-nitrophenyl)ethylamino]butoxy}terephthalic acid). Molecular glue transforms from 1D coordination polymer to a 3D cross-linked framework, resulting in a phase change of solution to solid. The carboxylate group of this glue makes the preformed MOF bind to its framework. Therefore, when the solution of molecular glue is mixed with preformed MOF powder and heated, homogeneous and thin MOF film – MOF/ZnNPE film – is fabricated. The film is irrelevant to the kind of its substrate ...


An Entirely New Molecular Glue For Mof Using Unusual Structural Transformation Of A Coordination Polymer, Sukwoo Jung, Hangyeol Kim, Junseok Ahn 2018 Korea Science Academy

An Entirely New Molecular Glue For Mof Using Unusual Structural Transformation Of A Coordination Polymer, Sukwoo Jung, Hangyeol Kim, Junseok Ahn

The International Student Science Fair 2018

In this research, an entirely new molecular glue is reported. This ‘coordination polymer glue’ is synthesized from zinc metal and BDC-NPE(2,5-bis{4-[1-(4-nitrophenyl)ethylamino]butoxy}terephthalic acid). Molecular glue transforms from 1D coordination polymer to a 3D cross-linked framework, resulting in a phase change of solution to solid. The carboxylate group of this glue makes the preformed MOF bind to its framework. Therefore, when the solution of molecular glue is mixed with preformed MOF powder and heated, homogeneous and thin MOF film – MOF/ZnNPE film – is fabricated. The film is irrelevant to the kind of its substrate ...


Quadruplexes In ‘Dicty’: Crystal Structure Of A Four-Quartet G-Quadruplex Formed By G-Rich Motif Found In The Dictyostelium Discoideum Genome, A. Guédin, Linda Yingqi Lin , '20, S. Armane, L. Lacroix, J.-L. Mergny, S. Thore, Liliya A. Yatsunyk 2018 Swarthmore College

Quadruplexes In ‘Dicty’: Crystal Structure Of A Four-Quartet G-Quadruplex Formed By G-Rich Motif Found In The Dictyostelium Discoideum Genome, A. Guédin, Linda Yingqi Lin , '20, S. Armane, L. Lacroix, J.-L. Mergny, S. Thore, Liliya A. Yatsunyk

Chemistry & Biochemistry Faculty Works

Guanine-rich DNA has the potential to fold into non-canonical G-quadruplex (G4) structures. Analysis of the genome of the social amoeba Dictyostelium discoideum indicates a low number of sequences with G4-forming potential (249–1055). Therefore, D. discoideum is a perfect model organism to investigate the relationship between the presence of G4s and their biological functions. As a first step in this investigation, we crystallized the dGGGGGAGGGGTACAGGGGTACAGGGG sequence from the putative promoter region of two divergent genes in D. discoideum. According to the crystal structure, this sequence folds into a four-quartet intramolecular antiparallel G4 with two lateral and one diagonal loops. The ...


Synthesis And Characterization Of (Pyno−)2gacl: A Redox-Active Gallium Complex, Jacob M. Kirsh , '17, Audra J. Woodside , '19, B. C. Manor, P. J. Carroll, Paul R. Rablen, Christopher R. Graves 2018 Swarthmore College

Synthesis And Characterization Of (Pyno−)2gacl: A Redox-Active Gallium Complex, Jacob M. Kirsh , '17, Audra J. Woodside , '19, B. C. Manor, P. J. Carroll, Paul R. Rablen, Christopher R. Graves

Chemistry & Biochemistry Faculty Works

We report the synthesis of a gallium complex incorporating redox-active pyridyl nitroxide ligands. The (pyNO−)2GaCl complex was prepared in 85% yield via a salt metathesis route and was characterized by 1H and 13C NMR spectroscopies, X-ray diffraction, and theory. UV–Vis absorption spectroscopy and electrochemistry were used to access the optical and electrochemical properties of the complex, respectively. Our discussion focuses primarily on a comparison of the gallium complex to the corresponding aluminum derivative and shows that although the complexes are very similar, small differences in the electronic structure of the complexes can be correlated to the identity of ...


Desalination Concentrate Disposal: Ecological Effects And Sustainable Solutions, Ryan Hanley 2018 University of Washington – Tacoma

Desalination Concentrate Disposal: Ecological Effects And Sustainable Solutions, Ryan Hanley

Global Honors Theses

Freshwater availability is a growing global concern, and desalination is often presented as the solution, but from this important technology comes issues of toxic waste. Ecosystems are delicate areas that contain species adapted to that specific location, and any chemical or physical changes can disrupt the fitness of species. The concentrate byproduct waste from desalination plants is toxic to species if the concentrate is not compatible with the receiving water body. A critical review of scientific articles, industry-leading books, conversations with industry experts, and information from the American Membrane Technology Association conference was used to analyze the current knowledge. Species ...


Analysis Of Metallic Components Of Gsr From Various Types Of Ammunition And Firearms Utilizing An Sem-Edx, Jenna A. Campbell 2018 Duquesne University

Analysis Of Metallic Components Of Gsr From Various Types Of Ammunition And Firearms Utilizing An Sem-Edx, Jenna A. Campbell

Graduate Student Research Symposium

Gunshot residue (GSR) is a chemical reaction that occurs when a firearm is discharged, which emits a cloud of gases from the barrel of the gun. It consists of both the burned and unburned propellant and primer components. These components are either organic or inorganic in nature, respectively. The organic components are located in the gunpowder part of the bullet, while the inorganic components are located in the primer part of the bullet. The primer consists of lead, barium, and antimony. These elements are considered heavy metals. Additionally, lead, barium, and antimony are the three key elements found in the ...


Multi-Reference Systems In Chemistry; Unconventional Bonding In Organic Chemistry; Covalent Bonding In Transition Metal Clusters, Alan Wilfred Humason 2018 Southern Methodist University

Multi-Reference Systems In Chemistry; Unconventional Bonding In Organic Chemistry; Covalent Bonding In Transition Metal Clusters, Alan Wilfred Humason

Chemistry Theses and Dissertations

The geometries, chemical properties, and reactivities of molecules are determined by their electronic structure. The field of ab initio computational chemistry works to calculate the kinetic and potential energies between the nuclei and electrons of a molecule. These calculations usually begin with the determination the electronic ground state.

Molecules that cannot be adequately described with a single, ground state configuration are called \textit{multi-reference systems}, which require the calculation of a linear combination of all pertinent electronic configurations, with a corresponding increase in computational cost. This is not `black box' methodology, because solving these systems requires a good understanding of ...


Tumor-Targeting Fluorinated Phthalocyanines For Theranostic Applications, Erik Nathaniel Carrión 2018 Seton Hall University

Tumor-Targeting Fluorinated Phthalocyanines For Theranostic Applications, Erik Nathaniel Carrión

Seton Hall University Dissertations and Theses (ETDs)

Hydrocarbon-based therapeutics and imaging agents are prone to chemical oxidation and degradation resulting in loss of activity and limited functional utility. Thus, more material is required to achieve long-lasting therapeutic effects. Phthalocyanines (Pcs) and their metal complexes (PcMs) can be utilized as prodrugs requiring only renewable energy resources namely, air and light, for cancer therapy and diagnostic (theranostic) applications related to photodynamic therapy (PDT). Replacement of labile C-H bonds in the Pc scaffold with a combination of fluoro and perfluoroisopropyl groups has resulted in a stable yet reactive oxidation catalyst of biological significance and importance. For example, F64PcZn ...


Detection Of Salen-Type Tracers For Subterranean Fluid Flow Monitoring Using Surface-Enhanced Raman Spectroscopy, Jenny C. Sanchez 2018 University of New Mexico

Detection Of Salen-Type Tracers For Subterranean Fluid Flow Monitoring Using Surface-Enhanced Raman Spectroscopy, Jenny C. Sanchez

Chemistry ETDs

A series of hydrocarbon and aqueous soluble salen-type ligands have been synthesized and characterized by electronic and vibrational spectroscopy. Aqueous soluble salen-type ligands were complexed to a metal and investigated as potential underground fluid flow tracers using Surface-Enhanced Raman Spectroscopy (SERS) as the analytical technique. Vibrational spectra obtained from SERS was shown to have enhanced the spectral signal for these complexes in low concentrations though did not show significant differences between the free ligands and their metal complexes. This research has shown that, with some structural modifications, salen-type ligands can be effective candidates as subterranean fluid flow tracers when SERS ...


Synthesis Of A Silsesquioxane Based Supramolecular Polymer, Rachel Bianculli 2018 Bowling Green State University

Synthesis Of A Silsesquioxane Based Supramolecular Polymer, Rachel Bianculli

Honors Projects

Research toward smart materials, specifically self-healing polymers, is an expanding topic within the materials science field. These materials rely heavily on dynamic crosslinking that is achieved by inducing different degrees of hydrogen bonding, van der Waals forces, etc. This work, demonstrated by research previously done within the Ostrowski research group, shows how coordination bonds of transition metals have been shown to create light activated, self-healing properties. Work done with these light-activated chromium (III) complexes with a poly(butylyene-co-ethylene) backbone have shown how metal—ligand coordination geometries can tune mechanical properties of the polymeric material. However, these materials suffer from being ...


Rhombohedral Distortion Of The Cubic Mgcu2-Type Structure In Ca2pt3ga And Ca2pd3ga, Asa Toombs, Gordon J. Miller 2018 Iowa State University and Ames Laboratory

Rhombohedral Distortion Of The Cubic Mgcu2-Type Structure In Ca2pt3ga And Ca2pd3ga, Asa Toombs, Gordon J. Miller

Ames Laboratory Accepted Manuscripts

Two new fully ordered ternary Laves phase compounds, Ca2Pt3Ga and Ca2Pd3Ga, have been synthesized and characterized by powder and single-crystal X-ray diffraction along with electronic structure calculations. Ca2Pd3Ga was synthesized as a pure phase whereas Ca2Pt3Ga was found as a diphasic product with Ca2Pt2Ga. Electronic structure calculations were performed to try and understand why CaPt2 and CaPd2, which crystalize in the cubic MgCu2-type Laves phase structure, distort to the ordered rhombohedral variant, first observed in the ...


Development Of Rules Of Attraction For Intercalated Guest Molecules Inside Of A Hydrogen Bonded Framework, Matthew Fischer 2018 University of Missouri-St. Louis

Development Of Rules Of Attraction For Intercalated Guest Molecules Inside Of A Hydrogen Bonded Framework, Matthew Fischer

Dissertations

Supramolecular chemistry has synthesized large and small molecules which host guest molecules for several decades. What started as a way to mimic of enzymes in nature, has exploded into a sea of materials such as porous coordination polymers, low-density metal-organic frameworks, inclusion compounds, and hydrogen bonded frameworks. We previously designed a layered framework consisting of a metal complex with coordinate covalent ligands. These ligands have peripheral carboxylic acid groups which hydrogen bond to organic pillars containing terminal amines. The layered structure is separated by these pillars, which are closed-packed, creating 1-dimensional channels able to co-crystallize molecules. There is interest in ...


Steric Effects On The Formation Of Manganese Oxide Clusters And 2-Dimensional Ammonium Formate Architectures, Carl Oberle 2018 University of Missouri, St. Louis

Steric Effects On The Formation Of Manganese Oxide Clusters And 2-Dimensional Ammonium Formate Architectures, Carl Oberle

Dissertations

It has been demonstrated by the Beatty group that altering the identity of the ortho-substituent of a dianiline counterion affects the assembly and dimensionality of a cadmium-chloride layer from 2-D to 0-D. This work seeks to extend this finding to metal oxide and organic hydrogen-bonded materials. By systematically increasing the ortho­-substituent’s size on the benzoate building block of reported manganese oxide clusters, of formula MnxOy(O2C-R)zLw (where R = Alkyl, L = neutral monodentate ligand), we aim to impact the self-assembly of these materials relative to their parent forms; establishing ...


From Flasks To Applications: Design And Optimization Of Giant Quantum Dots Using Traditional And Automated Synthetic Methods, Christina J. Hanson 2018 University of New Mexico

From Flasks To Applications: Design And Optimization Of Giant Quantum Dots Using Traditional And Automated Synthetic Methods, Christina J. Hanson

Nanoscience and Microsystems ETDs

Semiconducting nanocrystals, also known as quantum dots (QDs), that emit light with near-unity quantum yield and are extremely photostable are attractive options as down-conversion and direct electricity-to-light materials for a variety of applications including solid-state lighting, display technologies, bio-imaging and optical tracking. Standard QDs with a core/thin shell structure display fluorescence intermittency (blinking) and photobleaching when exposed to prolonged room temperature excitation for single dot measurements, as well as significant reabsorption and energy transfer when densely packed into polymers or at high solution concentrations.

We have developed thick shell “giant” QDs (gQDs), ultra-stable photon sources both at the ensemble ...


Synthesis Of Dimeric Zinc Complexes For Use As Ring Opening Polymerization Catalysts, Kyle D. Brooks, Arnlold Rheingold, David B. Green, Joe Fritsch 2018 Pepperdine University

Synthesis Of Dimeric Zinc Complexes For Use As Ring Opening Polymerization Catalysts, Kyle D. Brooks, Arnlold Rheingold, David B. Green, Joe Fritsch

Seaver College Research And Scholarly Achievement Symposium

No abstract provided.


Supercell Crystal Structure Of Na2ga2(Bo3)2, Grace Brown 2018 University of Nebraska at Omaha

Supercell Crystal Structure Of Na2ga2(Bo3)2, Grace Brown

Student Research and Creative Activity Fair

Na2Ga2(BO3)2O is an oxyborate with a reported crystal structure in the trigonal space group P1c. The literature states that the three-dimensional structure is created from infinite stacking of parallel [NaGa2(BO3)2] ∞ sheets separated by sodium layers. Our single-crystal X-ray diffraction data requires some modification to this structure. We believe that Na2Ga2(BO3)2O actually possesses a supercell crystal structure with lower symmetry. The borate anions within the [NaGa2(BO3)2 ] sheets are not parallel to each other, but slightly tilted. This slight off-parallel ...


Exploring The Synthesis, Structure, And Reactivity Of Phosphorus-Chalcogen Heterocycles, Cameron Graham 2018 The University of Western Ontario

Exploring The Synthesis, Structure, And Reactivity Of Phosphorus-Chalcogen Heterocycles, Cameron Graham

Electronic Thesis and Dissertation Repository

In recent years, the field of low-coordinate main group chemistry has seen significant research interest due to their unique structures and unprecedented reactivity. Conversely, the area of phosphinidene chalcogenides, a low-coordinate phosphorus and chalcogen species, have yet to be thoroughly explored. In this context, this dissertation describes the synthesis of a number of phosphorus-chalcogen heterocycles that can be degraded to provide stoichiometric access to low-coordinate phosphorus species. The ability for successful P-Ch transfer relies on using a bulky m-terphenyl group at phosphorus that provides enough steric bulk to kinetically stabilize the phosphorus centre, but also accommodating enough to allow ...


The Addition Of Alkynes To Low-Valent Silicon Compounds: A Mechanistic Study, Andrew T. Henry 2018 The University of Western Ontario

The Addition Of Alkynes To Low-Valent Silicon Compounds: A Mechanistic Study, Andrew T. Henry

Electronic Thesis and Dissertation Repository

The mechanism for the addition of alkynes to low-valent silicon compounds was investigated in this thesis using a cyclopropyl alkyne mechanistic probe (1.31). The addition of alkyne 1.31 to the asymmetrically-substituted disilene 1.37 was investigated. The structures of the products obtained indicate the reaction proceeds through a stepwise mechanism with a biradical intermediate and the dipole moment of the disilene bond was not sufficient to alter the reaction mechanism.

The addition of alkyne 1.31 to the NHC-stabilized silylene 1.38 was also investigated. The structure of the product formed in the reaction lead to two conclusions ...


Systematic Size Control In The Synthesis Of Zero-Valent Iron Nanoparticles, Grant C. Bleier 2018 University of New Mexico

Systematic Size Control In The Synthesis Of Zero-Valent Iron Nanoparticles, Grant C. Bleier

Chemistry ETDs

A novel synthetic method for the production of highly magnetic, low size-dispersity nanoparticles through reversible magnetic agglomeration is introduced and studied in detail. Initially, a weakly coordinating surfactant (3-octadecyl-2,4-pentanedione) is employed to produce a wide range of nanoparticle sizes ranging from 8 to 20 nm in diameter. The kinetics faced in these reactions by cheap and widely available iron complex precursors can be avoided in this method with the introduction of thermodynamic control, which occurs in the form of a magnetic precipitation event that essentially halts nanoparticle growth. Utilizing this synthetic method, the length of the alkyl chain on ...


Synthesis And Characterization Of A Novel Platinum Ligand Complex ((Κ-N,C,N- 2,6-Bis(Diethylaminomethyl)Phenyl)(4- Tert-Butylphenyl) Platinum(Ii)), Carly Roleder 2018 Claremont McKenna College

Synthesis And Characterization Of A Novel Platinum Ligand Complex ((Κ-N,C,N- 2,6-Bis(Diethylaminomethyl)Phenyl)(4- Tert-Butylphenyl) Platinum(Ii)), Carly Roleder

CMC Senior Theses

A novel platinum ligand complex (NCN)PtAr, ((κ-N,C,N- 2,6-bis (diethylaminomethyl)phenyl)(4- tert-butylphenyl) platinum(II)), was synthesized. A reaction of 1-Bromo-4-tert-butylbenzene Grignard with (NCN)PtCl, (where NCN = 2,6-bis(diethylaminomethyl)phenyl) yielded the (NCN)PtAr (where Ar = 4-tert­-butylphenyl). The product was then characterized with NMR spectra through 1H NMR, 13C NMR, COSY, HSQC, and HMBC to verify it structure.


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