Physical Sciences and Mathematics Commons^™

Iron-Catalyzed Oxidative Α-Amination Of Ketones With Primary And Secondary Sulfonamides, Fubin Song, So Hyun Park, Christine Wu, Alexandra E. Strom

Chemistry: Faculty Publications

We report the iron-catalyzed α-amination of ketones with sulfonamides. Using an oxidative coupling approach, ketones can be directly coupled with free sulfonamides, without the need for prefunctionalization of either substrate. Primary and secondary sulfonamides are both competent coupling partners, with yields from 55% to 88% for deoxybenzoin-derived substrates.

Use Of Electrochemical Techniques And Statistical Analysis To Investigate The Pitting Probability Of Copper, Sina Matin

Electronic Thesis and Dissertation Repository

The development of a safe permanent disposal plan is essential for the long-term disposal of used fuel bundles. Nuclear Waste Management Organization (NWMO) has been investigating the deep geologic disposal of nuclear waste which offers the optimum passive safety system with a negligible probability of release of radionuclides into the environment.

The proposed used fuel containers (UFC) for the permanent disposal of high-level nuclear waste in Canada is comprised of a carbon steel vessel coated with a 3 mm corrosion-resistant copper layer deposited using a combination of electrodeposition and cold spray deposition. Although copper is often considered to be thermodynamically …

College Of Natural Sciences Newsletter, February 2023, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volume 4, Issue 1

Page 1 Dean's Message
Page 2 Awards and Recognition
Page 3-4 Nobel Recipient Visits Campus
Page 4 Adopting the Pantry
Page 5 Growing a Recruitment Mindset
Page 6 February Outreach Events
Page 7 Media Coverage of CNS
Page 8 Open PRAIRIE Data
Page 9 54th Geography Convention, and Tom Loveland EROS Geography Scholarship
Page 10 Photos of Dr. Carolyn Bertozzi's Visit

Synthesis, Structural, Magnetic And Computational Studies Of A One-Dimensional Ferromagnetic Cu(Ii) Chain Assembled From A New Schiff Base Ligand, Anne Worrell, Gabriele Delle Monache, Mark M. Turnbull, Jeremy M. Rawson, Theocharis C. Stamatatos, Melanie Pilkington

Chemistry

A new asymmetrically substituted ONOO Schiff base ligand N-(2′-hydroxy-1′-naphthylidene)-3-amino-2-naphthoic acid (nancH₂) was prepared from the condensation of 2–hydroxy–1–naphthaldehyde and 3–amino–2–naphthoic acid. nancH₂ reacts with Cu₂(O₂CMe)₄·2H₂O in the presence of Gd(O₂CMe)₃·6H₂O to afford a uniform one-dimensional homometallic chain, [Cu^II(nanc)]_n (1). The structure of 1 was elucidated via single crystal X-ray diffraction studies, which revealed that the Cu(II) ions adopt distorted square planar geometries and are coordinated in a tridentate manner by an [ONO] donor set from one nanc²⁻ ligand and …

Correlation Between The Preparation Methods And The Physiochemical Characteristics Of Mgal₂O₄ As A Support For Ni Catalysts In Partial Oxidation Of Methane, Fatima El Alem

Theses

Due to different technical challenges associated with direct use of methane, the main component of natural gas, its conversion to higher hydrocarbons has been a subject of great industrial importance. All of the known routes for methane conversion are catalytic processes, where the performance is largely dependent on the physicochemical properties of the catalyst. The catalysts that have shown promising performance in methane reforming are based on expensive metals such as Pt, Pd, and Ru. Ni, on the other hand, is a cost-effective metal and has shown promising catalytic activity. These catalysts are usually in the form of metal nanoparticles …

Designing Polymers With Stimuli-Responsive Degradation For Biomedical Applications, Chuanfeng Li, Zhengyu Deng, Elizabeth R. Gillies

Chemistry Publications

Early biomedical applications of polymers were in areas such as joint replacements and often involved durable polymers. However, biodegradable polymers are increasingly being used to perform temporary functions such as drug delivery or supporting cells, after which they can break down and be eliminated from the body. Polymers that degrade specifically in response to stimuli offer additional opportunities to control when and where this degradation occurs, enabling enhanced functions such as site-specific drug release and the early detection of disease. In this article, we will discuss recent advancements in the design, preparation, and application of stimuli-responsive polymer degradation. In …

Rate Coefficients For Rotational State-To-State Transitions In H2O + H2O Collisions For Cometary And Planetary Applications, As Predicted By Mixed Quantum-Classical Theory, Bikramaditya Mandal, Dmitri Babikov

Chemistry Faculty Research and Publications

Aims. We present new calculations of collision cross sections for state-to-state transitions between the rotational states in an H₂O + H₂O system, which are used to generate a new database of collisional rate coefficients for cometary and planetary applications.

Methods. Calculations were carried out using a mixed quantum-classical theory approach that is implemented in the code MQCT. The large basis set of rotational states used in these calculations permits us to predict thermally averaged cross sections for 441 transitions in para- and ortho-H₂O in a broad range of temperatures.

Results. It is found that …

Satellite Ligand Effects On Magnetic Exchange In Dimers. A Structural, Magnetic And Theoretical Investigation Of Cu2l2x4 (L = Methylisothiazolinone And X = Cl−, Br−), Stefan Coetzee, Mark M. Turnbull, Christopher Landee, Jeffrey C. Monroe, Mercè Deumal, Juan J. Novoa, Melanie Rademeyer

Chemistry

Halide-bridged polymers have gained significant interest due to their diverse properties and potential applications. Stacked Cu₂L₂X₄ dimers, where L is an organic ligand and X can be Cl⁻ or Br⁻, are of interest because a chloride analogue where L = 2-pyridone, had previously been reported to exhibit bulk ferromagnetism, which augured great potentiality for this class of compounds. The synthesis, structural characterization, magnetic susceptibility measurements, and computational studies of two isostructural CuClMI (MI = methylisothiazolinone) and CuBrMI polymers of Cu(ii), along with a related CuClPYR (PYR = 2-pyridone) is reported. CuClMI and …

Recent Advances In Anode Materials Of Solid Oxide Electrolysis Cells, Geng Zou, Wei-Cheng Feng, Yue-Feng Song, Guo-Xiong Wang

Journal of Electrochemistry

Solid oxide electrolysis cell (SOEC) as an electrochemical energy conversion device has attracted increasing attention due to its large current density, high Faradaic efficiency and energy efficiency. Oxygen evolution reaction at the anode, a four-electron transfer process, is an important half-reaction for SOEC, which contributes to the main polarization resistance and consumes most electric energy during the electrolysis process. Hence, designing anode materials with high activity and stability is crucial for the performance improvement and practical application of SOEC. Recently, some advances have been made in the development of high-performance anode. In the current review, the mechanisms for CO_{2 …}

Anodic Electrocatalysis Of Glycerol Oxidation For Hybrid Alkali/Acid Electrolytic Hydrogen Generation, Xin Feng, Bo-Wen Liu, Ke-Xin Guo, Lin-Feng Fan, Gen-Xiang Wang, Su-Qin Ci, Zhen-Hai Wen

Journal of Electrochemistry

Electrolytic hydrogen production is heavily restricted by high-energy consumption majorly due to the relatively high potential of anodic oxygen evolution reaction (OER). Development of OER-alternative reaction at the anode has been recently proposed as a promising pathway to address the associated issues. In this work, we report a hybrid acid/alkali dual-electrolyte electrolyzer by coupling acidic hydrogen evolution reaction (HER) using commercial Pt/C cathode with alkaline Electrocatalytic glycerol oxidation (GOR) which is implemented by developing a nickel foam (NF) supporting Co₃O₄ nanosheets anode that shows low overpotential and high selectivity toward GOR for formate production. The hybrid acid/alkali …

Preface To Special Issue On Electrocatalysis And Electrosynthesis, Fang-Yi Cheng, Shuang-Yin Wang, Tian-Hua Zhou

Journal of Electrochemistry

No abstract provided.

Advances And Challenges On Cathode Catalysts For Lithium-Oxygen Batteries, Bo Wen, Zhuo Zhu, Fu-Jun Li

Journal of Electrochemistry

Aprotic lithium-oxygen batteries (LOBs) with high theoretical energy density have received considerable attention over the past years. However, the oxygen reduction reaction (ORR)/oxygen evolution reaction (OER) at cathodes suffer from slow kinetics for large overvoltages in LOBs. Significant advances on catalysts have been achieved to accelerate cathode kinetics, but understanding on the formation/decomposition processes of Li₂O₂ is limited. Herein, this review highlights the fundamental understanding of the correlation between catalysts and formation/decomposition of Li2O2. Various types of cathode catalysts are discussed to reveal the mechanism of formation/decomposition of Li₂O₂, aiming to present the …

Highly Dispersed Pt Nanoparticles Root In Single-Atom Fe Sites In Ldhs Toward Efficient Methanol Oxidation, Qing-Cheng Meng, Lin-Bo Jin, Meng-Ze Ma, Xue-Qing Gao, Ai-Bing Chen, Dao-Jin Zhou, Xiao-Ming Sun

Journal of Electrochemistry

Active and durable electrocatalysts for methanol oxidation reaction are of critical importance to the commercial viability of direct methanol fuel cell, which has already attracted growing popularities. However, current methanol oxidation electrocatalysts fall far short of expectations and suffer from excessive use of noble metal, mediocre activity, and rapid decay. Here we report the Pt anchored on NiFe-LDHs surface hybrid for stable methanol oxidation in alkaline media. Based on the high intrinsic methanol oxidation activity of Pt nanoparticles, the substrates NiFe-LDHs further enhanced anti-poisoning ability and maintained unaffected stability after 200,000 s cycle test compared to commercial Pt/C catalyst. The …

Molecular Research In Pancreatic Cancer: Small Molecule Inhibitors, Their Mechanistic Pathways And Beyond, Shaila A. Shetu, Nneoma James, Gildardo Rivera-Sanchez, Debasish Bandyopadhyay

Chemistry Faculty Publications and Presentations

Pancreatic enzymes assist metabolic digestion, and hormones like insulin and glucagon play a critical role in maintaining our blood sugar levels. A malignant pancreas is incapable of doing its regular functions, which results in a health catastrophe. To date, there is no effective biomarker to detect early-stage pancreatic cancer, which makes pancreatic cancer the cancer with the highest mortality rate of all cancer types. Primarily, mutations of the KRAS, CDKN2A, TP53, and SMAD4 genes are responsible for pancreatic cancer, of which mutations of the KRAS gene are present in more than 80% of pancreatic cancer cases. Accordingly, there is a …

The Application Of Transition Metal Sulfide Nanomaterials And Their Composite Nanomaterials In The Electrocatalytic Reduction Of Co2: A Review, Jason Parsons, Mataz Alcoutlabi

Chemistry Faculty Publications and Presentations

Electrocatalysis has become an important topic in various areas of research, including chemical catalysis, environmental research, and chemical engineering. There have been a multitude of different catalysts used in the electrocatalytic reduction of CO2, which include large classes of materials such as transition metal oxide nanoparticles (TMO), transition metal nanoparticles (TMNp), carbon-based nanomaterials, and transition metal sulfides (TMS), as well as porphyrins and phthalocyanine molecules. This review is focused on the CO2 reduction reaction (CO2RR) and the main products produced using TMS nanomaterials. The main reaction products of the CO2RR include carbon monoxide (CO), formate/formic acid (HCOO−/HCOOH), methanol (CH3OH), ethanol …

Ultrasound-Assisted Air-Jet Spinning Of Silk Fibroin-Soy Protein Nanofiber Composite Biomaterials., Futian Yang, Fang Wang, Janine Mazahreh, Xiao Hu

College of Science & Mathematics Departmental Research

Ultrasound utilizes a non-radiation technology that can meet modern standards to gain access to cheap, reliable and sustainable modern energy. Ultrasound technology can be implemented in the field of biomaterials for its exceptional potential in controlling the shape of nanomaterials. This study presents the first example of the production of soy and silk fibroin protein composite nanofibers in various ratios via combining ultrasonic technology with air-spray spinning. Characterization of ultrasonic spun nanofibers was performed by scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), differential scanning calorimetry (DSC), thermogravimetric (TG) analysis, water contact angle, water retention, enzymatic …

Investigating The Structure Of Metal-Organic Frameworks And The Behaviors Of Adsorbed Guest Molecules In Mofs Via Solid-State Nmr Spectroscopy, Yihao Shen

Electronic Thesis and Dissertation Repository

Metal-organic frameworks (MOFs) are a class of hybrid organic-inorganic microporous materials with lots of significant applications including gas capture and storage, gas separation, batteries, catalysis, ion exchange and drug delivery. MOFs based on s-block metals are important due to their many practical applications. These MOFs are also very interesting because the s-block MOFs often exhibit unpredictable behavior of coordination. In this thesis, the structures of six s-block metal (Li, Na, Cs, Mg, Ca, Sr) based MOFs involving V-shaped link, 4, 4′- sulfonyldibenzoate (SDB) are characterized by various techniques including, powder X-ray diffraction, TGA and solid-state NMR spectroscopy. ¹³C CPMAS …

Field-Tunable Berezinskii-Kosterlitz-Thouless Correlations In A Heisenberg Magnet, D. Opherden, M.S.J. Tepaske, F. Bärtl, M. Weber, M.M Turnbull, T. Lancaster, S.J. Blundell, M. Baenitz, J. Wosnitza, C.P. Landee, R. Moessner, D.J. Luitz

Chemistry

We report the manifestation of field-induced Berezinskii-Kosterlitz-Thouless (BKT) correlations in the weakly coupled spin-1/2 Heisenberg layers of the molecular-based bulk material [Cu(pz)2(2-HOpy)2](PF6)2. At zero field, a transition to long-range order occurs at 1.38 K, caused by a weak intrinsic easy-plane anisotropy and an interlayer exchange of J′/kB≈1 mK. Because of the moderate intralayer exchange coupling of J/kB=6.8 K, the application of laboratory magnetic fields induces a substantial XY anisotropy of the spin correlations. Crucially, this provides a significant BKT regime, as the tiny interlayer exchange J′ only induces 3D correlations upon close approach to the BKT transition with its exponential …

Oligo [Poly(Ethylene Glycol) Fumarate] Gels With Photo-Sensitive Pendent Groups, Andrew Chung

Electronic Thesis and Dissertation Repository

Stimuli-responsive hydrogels are 3D polymeric structures that offer attractive qualities within the biomedical field due to their excellent biocompatibility and tunability to be employed in drug release, wound healing, and implants. Aliphatic polyesters are biodegradable polymers that naturally degrade by the process of simple ester hydrolysis. Oligo[poly(ethylene glycol) fumarate] (OPF) is a linear polyester containing repeating units of poly(ethylene glycol) and unsaturated fumarate. OPF naturally degrades through hydrolytic cleavage into poly(ethylene glycol) (PEG) and fumaric acid which is a naturally occurring compound found in the Kreb’s cycle. However, in some cases, it would be beneficial to activate or accelerate this …

Characterization Of Deposited Copper Oxide Films On Copper Substrates, Millicent Castillo

Electronic Thesis and Dissertation Repository

The deposition of copper oxide films on copper substrates was investigated by the electrochemical, thermal, and hydrothermal oxidation of copper. The formed oxides were characterized using various surface analytical techniques to determine the film’s morphology, composition, and thickness. The results show that by growing oxides electrochemically, a duplex layer composing of CuO and Cu₂O film was formed on the copper surface, having characteristics of being porous and possessing needle-like structures. An oxide film composed of CuO and Cu₂O, which shows minimal porosity and possess mixtures of crystalline and non-crystalline structures, is formed on the copper surface …

Development Of An Lcms Method To Detect And Quantify Curcumin In A Novel Oral Formulation Of Turmeric, Brandon Renninger

Annual Research Symposium

No abstract provided.

Synthesis Of Enantiomers Of Chiral Ester Derivatives Containing An Amide Group And Their Chiral Recognition By ¹H Nmr Spectroscopy, Yan Lin Li, Hong Mei Zhao, Yu Qing Ren, Meng Qiu, Hai Tong Zhang, Guang Peng Gao, Li Zheng, Pericles Stavropoulos, Lin Ai

Chemistry Faculty Research & Creative Works

Enantiomers of Chiral Ester Derivatives Containing an Amide Group and Possessing One or Two Stereogenic Centers Were Prepared from L- and D-Α-Amino Acids, and Glycine with (S)- and (R)-Mandelic Acid for Probing their Chiral Recognition as a New Class of Chiral Guests by 1H NMR Spectroscopy, Since Chiral Ester Derivatives Have Been Rarely Used as Chiral Substrates for Chiral Recognition by 1H NMR Technology. the Results Indicated that These Chiral Ester Derivatives Have Been Successfully Differentiated in the Presence of Tetraaza Macrocyclic Chiral Solvating Agents (TAMCSAs) 1 A–1 C. in Order to Better Understand their Chiral Discriminating Behavior, Job Plots, …

Minimal Auxiliary Basis Set Approach For The Electronic Excitation Spectra Of Organic Molecules, Zehao Zhou, Shane M. Parker

Faculty Scholarship

We report a minimal auxiliary basis model for time-dependent density functional theory (TDDFT) with hybrid density functionals that can accurately reproduce excitation energies and absorption spectra from TDDFT while reducing cost by about \change{two} orders of magnitude. Our method, dubbed TDDFT-ris, employs the resolution-of-the-identity technique with just one $s$-type auxiliary basis function per atom for the linear response operator, where the Gaussian exponents are parametrized across the periodic table using %using tabulated atomic radii with a single global scaling factor. By tuning on a small test set, we determine a single functional-independent scale factor that balances errors in excitation energies …

Electro- And Photoactivation Of Silver–Iron Oxide Particles As Magnetically Recyclable Catalysts For Cross-Coupling Reactions, Qi Wang, Zhongxia Shang, Haiyan Wang, Alexander Wei

Department of Chemistry Faculty Publications

Colloidal Ag particles decorated with Fe3O4 islands can be electrochemically or photochemically activated as inverse catalysts for C(sp2)–H heteroarylation. The silver–iron oxide (SIO) particles are reduced into redox-active forms by cathodic charging at mild potentials or by short-term light exposure, and can be reused multiple times by magnetic cycling without further activation. A negative shift in the reduction peak is attributed to an overpotential produced by surface Fe3O4 which separates residual Ag ions or clusters from bulk silver. The catalytic efficiency of SIO is maintained even with acid degradation, which can be countered simply by adding water to the reaction …

Self-Assembly Of Metallo-Supramolecules Based On Terpyridine And Its Derivatives, Yu Yan

USF Tampa Graduate Theses and Dissertations

By studying coordination complexes in nature, such as chlorophyll, heme, and Enterobacter, we have learned that the structures of coordination complexes are closely related to their functions. However, it remains a challenge to achieve elaborate structures and sophisticated functions of complexes through synthetic methods. In the supramolecular chemistry field, coordination-driven self-assembly as a bottom-up approach are used to construct diverse supramolecules with well-defined structures and desired functions. The ways to achieve the goal including (1) rearranging components through coordination; （2）linking metal ions and organic frameworks to complete energy transfer; (3) converting between assembly and disassembly due to detection of stimuli. …

“Breaking Bud”: The Effect Of Direct Chemical Modifications Of Phytocannabinoids On Their Bioavailability, Physiological Effects, And Therapeutic Potential, Abhinandan Banerjee, John J. Hayward, John F. Trant

Chemistry and Biochemistry Publications

Tetrahydrocannabinol (THC) and cannabidiol (CBD) are the two “major cannabinoids”. However, their incorporation into clinical and nutraceutical preparations is challenging, owing to their limited bioavailability, low water solubility, and variable pharmacokinetic profiles. Understanding the organic chemistry of the major cannabinoids provides us with potential avenues to overcome these issues through derivatization. The resulting labile pro-drugs offer ready cannabinoid release in vivo, have augmented bioavailability, or demonstrate interesting pharmacological properties in their own right. This review identifies and discusses a subset of these advanced derivatization strategies for the major cannabinoids, where the starting material is the pure phytocannabinoid itself, and …

College Of Natural Sciences Newsletter, November 2022 - January 2023, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volme 3, Issue 7

Page 1 Dean's Message
Page 2 Awards & Recognition
Page 3 Sioux Falls Middle School Visit
Page 4 Bio-Micro Day of Scholars
Page 5 GIS Day at USGS EROS
Page 6 Indigenous People's Festival, & Visiting Jack's Imagination Lab
Page 7 Media Coverage of CNS, & Research Highlights from Geography & Geospatial Sciences
Page 8 Media Coverage of CNS. cont.
Page 9 Open PRAIRIE Data
Page 10 Recent Publications from CNS
Page 11 Recent Publications from CNS. cont.
Page 12 CNS Holiday Snapshots
Page 13 & 14 Fall 2022 Dean's List
Page 12-14 Fall 2022 Outreach …

Principles Of Chemistry-1, Rajnish Singh

KSU Distinguished Course Repository

Principles of Chemistry, chem 1211, is a 3 credit hour course, the first in a two-semester sequence covering the fundamental principles and applications of chemistry for science majors. Course content includes electronic structure of atoms and molecules, bonding fundamentals, fundamentals of chemical reactions, and gas laws. The course is taught asynchronously and the final exam being a national exam offered by the American chemical society, (ACS), that has to be taken in person.

Perspectives Of 2d Mxene Tribology, Andreas Rosenkranz, Maria Clelia Righi, Anirudha V. Sumant, Babak Anasori, Vadym Mochalin

Chemistry Faculty Research & Creative Works

The Large and Rapidly Growing Family of 2D Early Transition Metal Carbides, Nitrides, and Carbonitrides (MXenes) Raises Significant Interest in the Materials Science and Chemistry of Materials Communities. Discovered a Little More Than a Decade Ago, MXenes Have Already Demonstrated Outstanding Potential in Various Applications Ranging from Energy Storage to Biology and Medicine. the Past Two Years Have Witnessed Increased Experimental and Theoretical Efforts toward Studying MXenes' Mechanical and Tribological Properties When Used as Lubricant Additives, Reinforcement Phases in Composites, or Solid Lubricant Coatings. Although Research on the Understanding of the Friction and Wear Performance of MXenes under Dry and …

Coreflooding Evaluation Of Fiber-Assisted Recrosslinkable Preformed Particle Gel Using An Open Fracture Model, Shuda Zhao, Ali Al Brahim, Junchen Liu, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Recrosslinkable Preformed Particle Gels (RPPGs) Have Been Used to Treat the Problem of Void Space Conduits (VSC) and repair the "Short-Circuited" Waterflood in Alaska's West Sak Field. Field Results Showed a 23% Increase in Success Rates over Typical Preformed Particle Gel (PPG) Treatments. in This Paper, We Evaluated Whether Adding Fiber into RPPGs Can Increase the RPPG Plugging Efficiency and Thus Further Improve the Success Rate. We Designed Open Fracture Models to Represent vs.C and Investigated the Effect of Swelling Ratio (SR), Fracture Size, and Fiber Concentration on Gel Injection Pressure, Water Breakthrough Pressure, and Permeability Reduction. Results Show that …