Physical Sciences and Mathematics Commons^™

A Cucurbit[8]Uril Sponge, Vijayakumar Ramalingam, Sharon K. Kwee, Lisa M. Ryno, Adam R. Urbach

Chemistry Faculty Research

This paper describes a convenient approach to quantitative removal of the synthetic host cucurbit[8]uril (Q8) from aqueous mixtures using a sepharose resin coated in memantine groups to selectively sequester Q8 in the presence of competing hosts and guests. The “Q8 sponge” can separate Q8 from Q6 and reverse the Q8-mediated dimerization of peptides.

Spectroscopy And Dynamics Of The Predissociated, Quasi-Linear S₂ State Of Chlorocarbene, Chong Tao, Craig A. Richmond, Calvin Mukarakate, Scott H. Kable, George B. Bacskay, Eric C. Brown, Richard Dawes, Phalgun Lolur, Scott A. Reid

Chemistry Faculty Research & Creative Works

In this work, we report on the spectroscopy and dynamics of the quasi-linear S₂ state of chlorocarbene, CHCl, and its deuterated isotopologue using optical-optical double resonance (OODR) spectroscopy through selected rovibronic levels of the S₁ state. This study, which represents the first observation of the S₂ state in CHCl, builds upon our recent examination of the corresponding state in CHF, where pronounced mode specificity was observed in the dynamics, with predissociation rates larger for levels containing bending excitation. In the present work, a total of 14 S₂ state vibrational levels with angular momentum 1 were observed …

Il-6 Regulation On Skeletal Muscle Mitochondrial Remodeling During Cancer Cachexia In The ApcMin/+ Mouse, James P. White, Melissa J. Puppa, Shuichi Sato, Song Gao, Robert L. Price, John W. Baynes, Matthew C. Kostek, Lydia E. Matesic, James A. Carson

Faculty Publications

BACKGROUND:

Muscle protein turnover regulation during cancer cachexia is being rapidly defined, and skeletal muscle mitochondria function appears coupled to processes regulating muscle wasting. Skeletal muscle oxidative capacity and the expression of proteins regulating mitochondrial biogenesis and dynamics are disrupted in severely cachectic Apc^Min/+ mice. It has not been determined if these changes occur at the onset of cachexia and are necessary for the progression of muscle wasting. Exercise and anti-cytokine therapies have proven effective in preventing cachexia development in tumor bearing mice, while their effect on mitochondrial content, biogenesis and dynamics is not well understood. The purposes of …

Mechanistic Studies And Optimization Of Microwave-Assisted Palladium-Catalyzed Carbon-Carbon Bond Forming Reactions And An Academic Prospective On “Quality By Design”, Neha K. Grewal

Honors Scholar Theses

This compilation of work includes four aspects: (1) an academic review on the significance and implementation of Quality by Design (QbD), (2) mechanistic studies on the palladium-catalyzed synthesis of diarylmethanes, (3) the optimization of microwave-assisted click reactions and Suzuki couplings for use in an undergraduate organic chemistry laboratory manual, and (4) monitoring the progress of organic transformations using Raman spectroscopy.

Surficial Redistribution Of Fallout 131iodine In A Small Temperate Catchment, Joshua D. Landis, Nathan T. Hamm, Carl E. Renshaw, W. Brian Dade, Francis J. Magilligan, John D. Gartner

Dartmouth Scholarship

Isotopes of iodine play significant environmental roles, including a limiting micronutrient (¹²⁷I), an acute radiotoxin (¹³¹I), and a geochemical tracer (¹²⁹I). But the cycling of iodine through terrestrial ecosystems is poorly understood, due to its complex environmental chemistry and low natural abundance. To better understand iodine transport and fate in a terrestrial ecosystem, we traced fallout ¹³¹iodine throughout a small temperate catchment following contamination by the 11 March 2011 failure of the Fukushima Daiichi nuclear power facility. We find that radioiodine fallout is actively and efficiently scavenged by the soil system, where it …

Improving The Accuracy And Precision Of An Arsenic Field Test Kit: Increased Reaction Time And Digital Image Analysis, James Kearns, Julian Tyson

Chemistry Department Faculty Publication Series

No abstract provided.

Characterization Of A Reductively-Activated Elimination Pathway Relevant To The Biological Chemistry Of The Kinamycins And Lomaiviticins, Seann P. Mulcahy, Christina M. Woo, Weidong Ding, George A. Ellestad, Seth B. Herzon

Chemistry & Biochemistry Faculty Publications

The lomaiviticins (1 and 2) and kinamycins (3–5) are bacterial metabolites with potent antimicrobial and antiproliferative activities. Herein we establish that 1–5 are capable of generating electrophilic acylfulvene intermediates (6) under mildly reducing conditions. These acylfulvenes 6 are formed by a multistep process comprising two-electron reduction and loss of dinitrogen to form an ortho-quinone methide, followed by elimination. Based on these studies, the structure of the product formed from 1 in DNA-cleavage assays is proposed (26). We also show that the bis(hydroxynaphthoquinone) substructures of the lomaiviticins activate the metabolites toward reduction. Finally, based on COMPARE and time-dependent cell response profiling …

Ethanol From The Field To The Pump, Cameron Heiser

Natural Sciences Student Research Presentations

This poster describes the use of dry mill and wet mill processes to produce ethanol.

Fluoride And Your Teeth: How Fluoride In Dental Products Protects Your Teeth From Cavities, Jacob Dickey

Natural Sciences Student Research Presentations

This poster examines the use and effectiveness of fluorine to prevent cavities.

Diabetic Ketoacidosis, Thanaporn Chittiphalungsri

Natural Sciences Student Research Presentations

This poster describes the causes, diagnosis, and treatment of diabetic ketoacidosis.

The Many Pharmaceutical Discoveries Of Gertrude B. Elion, Alayna Bonse

Natural Sciences Student Research Presentations

This poster discusses the contributions of Gertrude B. Elion to pharmaceutical science.

Cbe5e− (E = Al, Ga, In, Tl): Planar Pentacoordinate Carbon In Heptaatomic Clusters, Abril C. Castro, Gerarso Martinez-Guajardo, Thomas Johnson, Jesus M. Ugalde, Yan-Bo Wu, Jose M. Mercero, Thomas Heine, Kelling J. Donald, Gabriel Merino

Chemistry Faculty Publications

A series of clusters with the general formula CBe₅E^- (E = Al, Ga, In, Tl) are theoretically shown to have a planar pentacoordinate carbon atom. The structures show a simple and rigid topological framework—a planar EBe4 ring surrounding a C center, with one of the ring Be–Be bonds capped in-plane by a fifth Be atom. The system is stabilized by a network of multicenter σ bonds in which the central C atom is the acceptor, and π systems as well by which the C atom donates charge to the Be and E atoms that encircle it.

Plane And Simple: Planar Tetracoordinate Carbon Centers In Small Moleculesw, Chad Crigger, Bernard K. Wittmaack, Marina Tawfik, Gabriel Merino, Kelling J. Donald

Chemistry Faculty Publications

A class of neutral 18-electron molecules with planar tetracoordinate carbon (ptC) centers is introduced. We show computationally that when n = 3 the neutral singlet molecule C(BeH)_n(BH₂)_4-n and other isoelectronic (18-valence electron) molecules of main group elements collapse from locally tetrahedral arrangements at the C-center to (near) planar tetracoordinate structures. For C(BeH)₃BH₂ and C(CH₃)(BH₂)Li₂, for example, the tetrahedral type conformation is not even a minimum on the potential energy surface at the B3PW91, MP2(full), or CCSD levels of theory. The Mg analogue C(MgH)₃BH_{2 …}

One-Pot Synthesis Of Colloidal Silicon Quantum Dots And Surface Functionalization Via Thiol-Ene Click Chemistry, Xiaoyu Cheng, Richard Gondosiswanto, Simone Ciampi, Peter J. Reece, J Justin Gooding

Australian Institute for Innovative Materials - Papers

A solution method for preparing surface functionalized colloidal silicon quantum dots (SiQDs) is presented. SiQDs prepared by this method are reasonably monodispersed and can be further functionalized via thiol-ene click reactions to introduce specific functionalities (i.e. -NH2, -COOH, -SO 3 -, alkane, alkene).

A Novel Route To Copper(Ii) Detection Using 'Click' Chemistry-Induced Aggregation Of Gold Nanoparticles, Carol Hua, William H. Zhang, Swahnnya De Almeida, Simone Ciampi, Danmar Gloria, Guozhen Liu, Jason Brian Harper, J Justin Gooding

Australian Institute for Innovative Materials - Papers

A simple colorimetric method for the detection of copper ions in water is described. This method is based on the 'click' copper(i)-catalyzed azide-alkyne cycloaddition reaction and its use in promoting the aggregation of azide-tagged gold nanoparticles by a dialkyne cross-linker is described. Nanoparticle cross-linking, evidenced as a colour change, is used for the detection of copper ions. The lowest detected concentration by the naked eye was 1.8 μM, with the response linear with log(concentration) between 1.8-200 μM. The selectivity relative to other potentially interfering ions was evaluated.

Soil Chemistry: Understanding Phosphorus In The Environment, Paul Milham, Warwick Dougherty, Robert John Morrison, Robert Graham Clark, Ronald Smernik, Ashlea Doolette, Lucy Burkitt, Damian Collins, Rebeca Alvarez, Andrew Thomas

Faculty of Science - Papers (Archive)

It is an essential ingredient in food production, but poor management means bad news downstream. Understanding the way phosphorus behaves in the environment calls for soil and plant biology, and some new soil chemistry.

Linus Pauling: Scientist Of The 20th Century, Laura Ward

Natural Sciences Student Research Presentations

This poster describes the contributions scientist Linus Pauling made to the fields of chemistry and molecular biology, including his hybridization theory.

Effects Of Activated Carbon Surface Chemistry Modification On The Adsorption Of Mercury From Aqueous Solution, Emily K. Faulconer

Publications

Mercury (Hg), a naturally occurring element, is toxic and can lead to negative health impacts for humans and ecosystems. Activated carbon adsorption is effective in treating Hg-laden aqueous effluent for safe discharge. Two modifications of commercially available activated carbon were investigated: iron impregnation to allow for magnetic sorbent recapture and wet chemical oxidation to enhance aqueous Hg capture. The modified carbons were characterized by nitrogen adsorption-desorption, XRD, pHpzc, vibrating sample magnetometry, elemental analysis, and total acidity titration. The 3:1 C:Fe magnetic powdered activated carbon (MPAC) retained a high surface area of 790 m2 /g and was 95% magnetically recoverable, with …

5a-Butyl-1,3,8,10-Tetra-Chloro-7,13-Bis-(4-Nitro-Benzo-Yl)-5a,6a,12a,12b-Tetra-Hydro-7h,13h-Thieno[2,3-B:4,5-B']Bis-(1,4-Benzoxazine), Kai Tang, Margaret E. Kastner

Faculty Journal Articles

The title compound, C(34)H(24)Cl(4)N(4)O(8)S, is a linear penta-cyclic system formed of two substituted benzoxazinyl groups fused to 2-n-butyl-tetra-hydro-thio-phene. The oxazine ring, which is fused to the n-butyl-substituted side of the thio-phene ring, is in a boat conformation. The other fused oxazine ring and the tetra-hydro-thiene ring are each in an envelope conformation. The bridgehead C atom alpha to both the S and N atoms forms the flap of each envelope. This results in a twist of the penta-cyclic system such that the dihedral angle between the terminal dichloro-benzene rings is 82.92 (8)°. In the crystal, inversion-related mol-ecules form a weakly …

Process-Evaluation Of Tropospheric Humidity Simulated By General Circulation Models Using Water Vapor Isotopologues: 1. Comparison Between Models And Observations, Camille Risi, David Noone, John Worden, Christian Frankenberg, Gabriele Stiller, Michael Kiefer, Bernd Funke, Kaley Walker, Peter Bernath, Matthias Schneider, Debra Wunch, Vanessa Sherlock, Nicholas Deutscher, David Griffith, Paul O. Wennberg, Kimberly Strong, Dan Smale, Emmanuel Mahieu, Sabine Barthlott, Frank Hase, Omaira García, Justus Notholt, Thorsten Warneke, Geoffrey Toon, David Sayres, Sandrine Bony, Jeonghoon Lee, Derek Brown, Ryu Uemura, Christophe Sturm

Chemistry & Biochemistry Faculty Publications

The goal of this study is to determine how H₂O and HDO measurements in water vapor can be used to detect and diagnose biases in the representation of processes controlling tropospheric humidity in atmospheric general circulation models (GCMs). We analyze a large number of isotopic data sets (four satellite, sixteen ground-based remote-sensing, five surface in situ and three aircraft data sets) that are sensitive to different altitudes throughout the free troposphere. Despite significant differences between data sets, we identify some observed HDO/H₂O characteristics that are robust across data sets and that can be used to evaluate …