Chemistry Commons^™

Molecular Modeling Labs For Freshman Chemistry I, Suzanne Ellenberger, Sara Blankenship, Ana West, Rupa Gokal, Daphne Norton, Nick Nguyen, Cynthia Tope

Chemistry Ancillary Materials

This set of laboratory exercises for Freshman Chemistry I was created under a Round Thirteen Mini-Grant for Ancillary Materials Creation and Revision. The exercises are intended for the AMPAC and Agui chemistry software program, and topics covered include Physical Properties, VSEPR, and a molecular modeling activity.

Iodane-Guided C-H Cleavage To Synthesize Densely Functionalized Arenes, Aleksandra Nilova, Paul A. Sibbald, Edward J. Valente, Gisela Gonzalez-Monteil, H. Camille Richardson, Kevin S. Brown, Paul Cheong, David Stuart

Chemistry Faculty Publications and Presentations

We describe a strategy for the iodane-guided functionalization of sterically congested C-H bonds, which is distinct from electronic, steric or proximity guided C-H functionalization methods. Readily accessible aryl(Mes)iodonium salts serve as the starting materials in these reactions and produce complex 1,2,3,4-substituted arenes via aryne intermediates. This approach is especially powerful when coupled with the innate C-H functionalization reactivity of simple arenes, to replace two C-H bonds with two C-C or C-heteroatom bonds while over-riding steric effects that typically inhibit such reactions. DFT stud-ies reveal a contribution of inductive, resonance, and steric effects on the regioselectivity of C-H cleavage and aryne …

Proton Transfer Versus Hydrogen Bonding In A Reduced Iron Porphyrin Nitrosyl Complex, Md. Hafizur Rahman, Yilin Liu, Michael D. Ryan

Chemistry Faculty Research and Publications

The ¹H NMR spectra of Fe(OEP)(HNO), which was formed from Fe(OEP)(NO)⁻ in the presence of 3,5-dichlorophenol, were studied as a function of temperature. The chemical shift of the HNO proton showed a unique behavior which could be explained based on the equilibrium between the protonated complex, Fe(OEP)(HNO), and the hydrogen-bonded complex, Fe(OEP)(NO)⁻···HOPh. This equilibrium was consistent with UV/visible spectroscopy and the voltammetric data. UV/visible stopped-flow experiments showed that the hydrogen-bonded complex, which was formed when weak acids such as phenol were added, and the Fe(OEP)(HNO) complex were quite similar. In addition to the HNO proton resonance, …

Mapping Of A Regulatory Site Of The Escherichia Coli Adp-Glucose Pyrophosphorylase, Jaina A. Bhayani, Benjamin L. Hill, Anisha Sharma, Alberto A. Iglesias, Kenneth W. Olsen, Miguel A. Ballicora

Chemistry: Faculty Publications and Other Works

The enzyme ADP-glucose pyrophosphorylase (ADP-Glc PPase) controls the biosynthesis of glycogen in bacteria and starch in plants. It is regulated by various activators in different organisms according to their metabolic characteristics. In Escherichia coli, the major allosteric activator is fructose 1,6-bisphosphate (FBP). Other potent activator analogs include 1,6-hexanediol bisphosphate (HBP) and pyridoxal 5′-phosphate (PLP). Recently, a crystal structure with FBP bound was reported (PDB ID: 5L6S). However, it is possible that the FBP site found is not directly responsible for the activation of the enzyme. We hypothesized FBP activates by binding one of its phosphate groups to …

Antibacterial Properties Of Mussel-Inspired Polydopamine Coatings Prepared By A Simple Two-Step Shaking-Assisted Method, Pegah Kord Fooroshani, Elizabeth Polega, Kevin Thomson, Mohammad Saleh Akram Bhuiyan, Rattapol Pinnaratip, Mikhail Trought, Chito E. Kendrick, Yuesheng Gao, Kathryn Perrine, Lei Pan, Bruce P. Lee

Michigan Tech Publications, Part 1

A simple two-step, shaking-assisted polydopamine (PDA) coating technique was used to impart polypropylene (PP) mesh with antimicrobial properties. In this modified method, a relatively large concentration of dopamine (20 mg ml⁻¹) was first used to create a stable PDA primer layer, while the second step utilized a significantly lower concentration of dopamine (2 mg ml⁻¹) to promote the formation and deposition of large aggregates of PDA nanoparticles. Gentle shaking (70 rpm) was employed to increase the deposition of PDA nanoparticle aggregates and the formation of a thicker PDA coating with nano-scaled surface roughness (RMS = 110 …

Aerobic C-C And C-O Bond Formation Reactions Mediated By High-Valent Nickel Species., Sofia Smith, Oriol Planas, Laura Gómez, Nigam Rath, Xavi Ribas, Liviu Mirica, Liviu Mirica

Chemistry & Biochemistry Faculty Works

Nickel complexes have been widely employed as catalysts in C–C and C–heteroatom bond formation reactions. While Ni(0), Ni(I), and Ni(II) intermediates are most relevant in these transformations, recently Ni(III) and Ni(IV) species have also been proposed to play a role in catalysis. Reported herein is the synthesis, detailed characterization, and reactivity of a series of Ni(II) and Ni(III) metallacycle complexes stabilized by tetradentate pyridinophane ligands with various N-substituents. Interestingly, while the oxidation of the Ni(II) complexes with various other oxidants led to exclusive C–C bond formation in very good yields, the use of O2 or H2O2 as oxidants led to …

Solution Of Simultaneous Chemical Equilibria In Heterogeneous Systems: Implementation In Matlab, D. Scott Smith

Chemistry Faculty Publications

A Matlab script to solve simultaneous equilibria in solution, including precipitation/dissolution equilibria is described.

Properties Of Concrete Modified With Ultra-Fine Slag, Panga Narasimha Reddy, Javed Ahmed Naqash

Karbala International Journal of Modern Science

The supplementary cementitious materials (SCM) can be used as a replacement of cement in the construction industry to minimize the drawbacks of normal concrete such as the emission of carbon dioxide so as to be eco-friendly. This paper presents the effect of ultra-fine slag (i.e. 25% of alccofine) as a replacement of cement for different water to binder ratios (i.e. 0.38, 0.4 and 0.45). The effect of alccofine on the concrete strength properties were studied at 7 and 28 days wherein considerable strength enhancement was observed compared to normal concrete. Thermogravimetric analysis was also carried out in which mass loss …

Analytical Approach To Investigation Of Free Vibration Of Thin Rectangular Plate Immersed In Fluid, Resting On Winkler And Pasternak Foundations, Obanishola Sadiq, Gbeminiyi Sobamowo, Saheed Salawu

Karbala International Journal of Modern Science

Dynamic behaviour of free vibration of rectangular plate is investigated. This study considered an analytical approach to investigation of free vibration of thin rectangular plate immersed in fluid, resting on Winkler and Pasternak foundations.The governing nonlinear partial differential equation is analyzed using two-dimensional differential transform method. The accuracy of the analytical solutions obtained is verified with existing results in literature and confirmed in excellent agreement. Thereafter, the analytical solutions are used for investigation of effect of elastic foundation, fluid and aspect ratio on vibrating plate.From the result, it is observed that, increase elastic foundation parameters increases natural frequency, increase aspect …

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.

Literature Review: Biocement For Stabilization Of Expansive Soils In Las Vegas, Nevada, Silva Topchyan, Moses Karakouzian

LSAMP Poster Presentations

The aim of this study was to present a possibility for the use of biocementon expansive clay. Expansive soil is a type of clay when exposed to water and moisture changes its volume. Due to the clays swelling and shrinkage behavior itsdifficult to use it in engineering and construction projects, therefore costly and unhealthy techniques have been used to stabiliseexpansive soil in order to address the problem [12]. A possible healthy and environmentally friendly solution is Biocement which uses microbial induced calcite precipitation (MICP) in order to help aggregate soil to form a stable cementitiousmaterial. MICP isdependent on the innate …

What A Career In Teaching Could Look Like For Me: My Journey Of Self-Reflection And Self-Discovery, Jashaun D. Bottoms

STEM Instructional Graduate Teaching Assistant Posters

I started the STEM Instructional Program the summer before my first teaching experience as a graduate student at WMU, and I saw it as a great training opportunity for the upcoming school year. As a General Chemistry II lab instructor, I would encounter students from various majors and backgrounds, with different learning styles and attitudes toward chemistry and math.

In order to effectively engage these students in a pre-lab lecture and to prepare them to complete the experiments, I needed to learn how to keep their attention, clearly explain and relay information in an interesting way, check their understanding, and …

Definition Of The Chalcogen Bond (Iupac Recommendations 2019), Christer B. Aakeroy, David L. Bryce, Gautam R. Desiraju, Antonio Frontera, Anthony C. Legon, Francesco Nicotra, Kari Rissanen, Steve Scheiner, Giancarlo Terraneo, Pierangelo Metrangolo, Giuseppe Resnati

Chemistry and Biochemistry Faculty Publications

This recommendation proposes a definition for the term “chalcogen bond”; it is recommended the term is used to designate the specific subset of inter- and intramolecular interactions formed by chalcogen atoms wherein the Group 16 element is the electrophilic site.

Carving Plasmon Modes In Silver Sierpiński Fractals, Isobel C. Bicket, Edson P. Bellido, Danielle M. Mcrae, Francois Lagugne-Labarthet, Gianluigi A. Botton

Chemistry Publications

The surface plasmon resonance (SPR) modes of the first three generations of a Sierpiński fractal triangle are investigated using electron energy loss spectroscopy (EELS) complemented with finite difference time domain simulations. The Sierpiński fractal geometry is created in a subtractive manner, by carving triangular apertures into the triangular prism of the previous fractal generation. The ability of the fractal antenna to efficiently utilize space in coupling to long wavelength excitations is confirmed on the single nanostructure level via redshifting of the primary dipole mode as the fractal generation is increased. Through application of the Babinet principle, it is demonstrated that …

Molecular Modeling Studies On The Binding Mode Of The Pd-1/Pd-L1 Complex Inhibitors, Suliman Almahmoud, Haizhen A. Zhong

Chemistry Faculty Publications

The programmed cell death protein 1 (PD-1)/programmed cell death ligand 1 (PD-L1) is an immune checkpoint (ICP) overexpressed in various types of tumors; thus, it has been considered as an important target for cancer therapy. To determine important residues for ligand binding, we applied molecular docking studies to PD-1/PD-L1 complex inhibitors against the PD-L1 protein. Our data revealed that the residues Tyr56, Asp122, and Lys124 play critical roles in ligand binding to the PD-L1 protein and they could be used to design ligands that are active against the PD-1/PD-L1 complex. The formation of H-bonds with Arg125 of the PD-L1 protein …

Synthesis Of Functionalized Tetrahydropyridines By Sncl4-Mediated [4+2] Cycloaddition Between Donor–Acceptor Cyclobutanes And Nitriles, David Tong, Jackie Wu, Nathan Bazinski, Donghyun Koo, Naresh Vemula, Brian Pagenkopf

Chemistry Publications

Cycloadditions of strained carbocycles promoted by Lewis acids are powerful methods to construct heterocyclic frameworks. In fact, the formal [3+2] cycloadditions of donor-acceptor (DA) cyclopropanes with nitriles has seen particular success in synthesis. In this work, we report on the first [4+2] cycloaddition of nitriles with DA cyclobutanes via Lewis acid activation. Tetrahydropyridine derivatives were obtained in up to 91% yield from various aryl activated cyclobutane diesters and aliphatic or aromatic nitriles.

Low-Cost, Ambient-Dried, Superhydrophobic, High Strength, Thermally Insulating, And Thermally Resilient Polybenzoxazine Aerogels, Sadeq Malakooti, Guoqiang Qin, Chandana Mandal, Rushi Soni, Tahereh Taghvaee, Yao Ren, Huiluo Chen, Nicholas Tsao, James Shiao, Shameek Sushil Kulkarni, Chariklia Sotiriou-Leventis, Nicholas Leventis, Hongbing Lu

Chemistry Faculty Research & Creative Works

A family of ambient-dried poly benzoxazine aerogels is prepared with a facile and scalable process as a high-performance polymeric aerogel with strong and robust thermomechanical properties at elevated temperatures. Those materials are inherently flame-retardant and superhydrophobic over the entire bulk density range (0.24-0.46 g cm-3). In addition, they are mechanically strong with strengths (e.g., 1 MPa at 0.24 g cm-3 at room temperature) higher than those of other high-performance aerogels of similar density, including polyimide and polyamide (Kevlar-like) aerogels as well as polymer-cross-linked X-silica and X-Vanadia aerogels, at a significantly lower cost. Furthermore, unlike most other glassy polymeric materials, the …

Environmentally Responsible Land Use, Spring/Summer 2010, Issue 22

Sustain Magazine

No abstract provided.

Sustainable Communities, Fall/Winter 2010, Issue 21

Sustain Magazine

No abstract provided.

Sustainable Building, Spring/Summer 2009, Issue 20

Sustain Magazine

No abstract provided.

Environmental History, Fall/Winter 2009, Issue 19

Sustain Magazine

No abstract provided.

Student Research, Spring/Summer 2008, Issue 18

Sustain Magazine

No abstract provided.

Evolving Pollution Prevention, Fall/Winter 2008, Issue 17

Sustain Magazine

No abstract provided.

Climate Change, Spring/Summer 2007, Issue 16

Sustain Magazine

No abstract provided.

Our Energy Future, Fall/Winter 2007, Issue 15

Sustain Magazine

No abstract provided.

Land Conservation, Spring/Summer 2006, Issue 14

Sustain Magazine

No abstract provided.

Pollution And Heart Disease, Fall/Winter 2006, Issue 13

Sustain Magazine

No abstract provided.

Green Cities, Spring/Summer 2005, Issue 12

Sustain Magazine

No abstract provided.

Global Sustainability, Fall/Winter 2005, Issue 11

Sustain Magazine

No abstract provided.

Environmental Justice, Spring/Summer 2004, Issue 10

Sustain Magazine

No abstract provided.