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Full-Text Articles in Physical Sciences and Mathematics
Quantum Mechanical Studies Of N-H···N Hydrogen Bonding In Acetamide Derivatives And Amino Acids, Sandra J. Lundell
Quantum Mechanical Studies Of N-H···N Hydrogen Bonding In Acetamide Derivatives And Amino Acids, Sandra J. Lundell
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
Proteins are made of vast chains of amino acids that twist and fold into intricate designs. These structures are held in place by networks of noncovalent interactions. One of these, the hydrogen bond, forms bridges between adjacent pieces of the protein chain and is one of the most important contributors to the shape and stability of proteins. Hydrogen bonds come in all shapes and sizes and a full understanding of these not only aids in our understanding of proteins in general but can bridge the gap to finding cures to many protein-related diseases, such as sickle-cell anemia. The primary aim …
Investigation Of The Effects Of Hydrogen Bonding On The Enantiomeric Excess Of Pig Liver Esterase Hydrolysis Products, Matthew Hasler
Investigation Of The Effects Of Hydrogen Bonding On The Enantiomeric Excess Of Pig Liver Esterase Hydrolysis Products, Matthew Hasler
Honors Theses
Pig Liver Esterase (PLE) is an effective enzyme used in the Masterson Research Group due to its ability to hydrolyze only one ester in a malonic diester. PLE is employed for creating chiral molecules for the synthesis of unnatural amino acid precursors. Previous research in the group found that malonic half esters with hydrogen bonding capable substrates yielded varying degrees of enantiomeric excess, and non-hydrogen bonding substrates yielded racemic mixtures.1,2 The compounds synthesized contained substrates consisting of thiophene rings in the second and third position, and these molecules act as a control for the other research done in the group. …
Experimental And Computational Studies Of Rotation And Proton Tunneling In Organic Molecules And Molecular Dimers, Agapito Serrato Iii
Experimental And Computational Studies Of Rotation And Proton Tunneling In Organic Molecules And Molecular Dimers, Agapito Serrato Iii
Theses and Dissertations
An introduction to the relations of classical and quantum mechanics are presented in brief. As is an overview of the instrumentation and quantum chemical analysis performed to characterize the molecules presented in in this thesis. The pure rotational spectrum of 3,3,3-trifluoro-2(trifluoromethyl)propanoic acid, perfluorobutyric acid–formic acid dimer, and tropolone–formic acid dimer were measured using high-resolution microwave spectroscopy. The spectra have been observed using a cavity-based Fourier-transform microwave (FTMW) spectrometer and/or a chirped-pulse FTMW.
Long-Range Electrostatic Interactions In Gold Catalysis And Fluorinating Reagent Development., Zhichao Lu
Long-Range Electrostatic Interactions In Gold Catalysis And Fluorinating Reagent Development., Zhichao Lu
Electronic Theses and Dissertations
Our research focus is on applying two long range electrostatic interactions--coulombic interaction between ion pairs and hydrogen bonding—to two tasks: exploring counterion effects in gold catalysis and utilizing hydrogen bonding for fluorinating reagent development. Cationic gold catalysis is considered one of the most important breakthroughs in organic synthesis over the past two decades. A wealth of empirical information on counterion effects is now available regarding homogeneous gold catalysis. However, the rational understanding of the counterion effect on reactivity is still elusive. We proposed a widely applicable model to rationalize the kinetic effect in gold catalyzed reaction. We first solved the …
Development Of Rules Of Attraction For Intercalated Guest Molecules Inside Of A Hydrogen Bonded Framework, Matthew Fischer
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 …