• Identification of isomers by multidimensional isotopic shifts in high-field ion mobility spectra 

  Pathak, Pratima; Baird, Matthew A.; Shvartsburg, Alexandre A. (American Chemical Society, 2018-07-03)

  Nearly all molecules incorporate elements with stable isotopes. The resulting isotopologue envelopes in mass spectra tell the exact stoichiometry but nothing about the geometry. Chromatography and electrophoresis at high ...

• Understanding fluorine chemical shifts and the molecular properties of organic molecules 

  Kasireddy, Chandana (Wichita State University, 2018-05)

  This dissertation is embargoed to May 2019.

• Flow-gated capillary electrophoresis: a powerful technique for rapid and efficient chemical separation 

  Gong, Maojun; Zhang, Ning; Maddukuri, Naveen (Royal Society of Chemistry, 2018-05-30)

  Flow-gated capillary electrophoresis (CE) is a hybrid of conventional and microchip CE since it employs a fused silica capillary as the separation channel while taking advantage of the rapid flow-gated injection that is ...

• High-precision megahertz-to-terahertz dielectric spectroscopy of protein collective motions and hydration dynamics 

  Charkhesht, Ali; Regmi, Chola K.; Mitchell-Koch, Katie R.; Cheng, Shengfeng; Vinh, Nguyen Q. (American Chemical Society, 2018-06-01)

  The low-frequency collective vibrational modes in proteins as well as the protein-water interface have been suggested as dominant factors controlling the efficiency of biochemical reactions and biological energy transport. ...

• Progress in Our Understanding of 19F Chemical Shifts 

  Dahanayake, Jayangika Niroshani; Kasireddy, Chandana; Karnes, Joseph P.; Verma, Rajni; Steinert, Ryan M.; Hildebrandt, Derek; Hull, Olivia A.; Ellis, Jonathan M.; Mitchell-Koch, Katie R. (Elsevier, 2018)

  Fluorine NMR spectroscopy has diverse applications, including characterization of chemical reaction mechanisms, protein structure-function studies, and solid-state NMR characterization of crystalline, amorphous, and soft ...

• Entropy connects water structure and dynamics in protein hydration layer 

  Dahanayake, Jayangika Niroshani; Mitchell-Koch, Katie R. (Royal Society of Chemistry, 2018-07-03)

  The enzyme Candida Antarctica lipase B (CALB) serves here as a model for understanding connections among hydration layer dynamics, solvation shell structure, and protein surface structure. The structure and dynamics of ...

• A course-based undergraduate research experience investigating the consequences of nonconserved mutations in lactate dehydrogenase 

  Ayella, Allan; Beck, Moriah R. (Wiley, 2018-05)

  There is a growing movement to involve undergraduate students in authentic research experiences. A variety of studies have indicated the strength of this approach in developing scientific aptitude, confidence, critical ...

• Palladin compensates for the Arp2/3 complex and supports actin structures during Listeria Infections 

  Dhanda, Aaron S.; Vogl, A. Wayne; Albraiki, Sharifah E.; Otey, Carol A.; Beck, Moriah R.; Guttman, Julian A. (American Society For Microbiology, 2018-04-10)

  Palladin is an important component of motile actin-rich structures and nucleates branched actin filament arrays in vitro. Here we examine the role of palladin during Listeria monocytogenes infections in order to tease out ...

• Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element 

  Kankanamalage, Anushka C. Galasiti; Kim, Yunjeong; Damalanka, Vishnu C.; Rathnayake, Athri D.; Fehr, Anthony R.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Lushington, Gerald H.; Perlman, Stanley; Chang, Kyeong-Ok; Groutas, William C. (Elsevier, 2018-04-25)

  There are currently no approved vaccines or small molecule therapeutics available for the prophylaxis or treatment of Middle East Respiratory Syndrome coronavirus (MERS-CoV) infections. MERS-CoV 3CL protease is essential ...

• Insight into Ligand Binding and Conformational Dynamics of Kynurenine 3-Monooxygenase 

  Verma, Rajni; Mitchell-Koch, Katie R. (Cell Press, 2018-02-02)

  Cellular and developmental pathogenesis is the result of complicated cellular processes involving molecular interactions among cells and their intra- and inter-cellular milieus. The characterization of molecular interactions ...

• Thermal switch using controlled capillary transition in heterogeneous nanostructures 

  Avanessian, Tadeh; Hwang, Gisuk (Elsevier, 2018-06)

  The development of a nanoscale thermal switch is a crucial step toward advanced thermal management systems including future thermal logic gates and computers. This study demonstrates a new nanoscale thermal switch mechanism ...

• Efficacy of a 3C-like protease inhibitor in treating various forms of acquired feline infectious peritonitis 

  Pedersen, Niels C.; Kim, Yunjeong; Liu, Hongwei; Kankanamalage, Anushka C. Galasiti; Eckstrand, Chrissy; Groutas, William C.; Bannasch, Michael; Meadows, Juliana M.; Chang, Kyeong-Ok (SAGE, 2018-04)

  Objectives The safety and efficacy of the 3C-like protease inhibitor GC376 was tested on a cohort of client-owned cats with various forms of feline infectious peritonitis (FIP). Methods Twenty cats from 3.3-82 months of ...

• Rapid determination of free prolyl dipeptides and 4-hydroxyproline in urine using flow-gated capillary electrophoresis 

  Zhang, Ning (Wichita State University, 2018-04-27)

  4-hydroxyproline (Hyp) and prolyl dipeptides such as prolyl hydroxyproline (Pro-Hyp) have been found as disease biomarkers in the diagnosis of bone turnover and osteoporosis. To determine these compounds in human urine ...

• Exploring the role of linker region and ig4 on the activity of palladin ig34 tandem domain 

  Limpiado, MarcArthur (Wichita State University, 2018-04-27)

  The protein palladin is a known regulator of the actin cytoskeleton and acts as an actin scaffold due to its ability to bind multiple actin-binding proteins. This grants palladin a key role in regulating actin rearrangement--a ...

• Analysis of 1-methyl-4-phenylpyridinium derivatives in caenorhabtis elegans 

  Murphy, David; Kadigamuwa, Chamila; Mapa, Mapa (Wichita State University, 2018-04-27)

  Parkinson's disease (PD) is a neurodegenerative disease that affects more than 10 million people worldwide and costs 25 billion dollars in the United States alone. Despite its notoriety, the etiology of PD not fully ...

• Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease 

  Damalanka, Vishnu C.; Kim, Yunjeong; Kankanamalage, Anushka C. Galasiti; Rathnayake, Athri D.; Mehzabeen, Nurjahan; Battaile, Kevin P.; Lovell, Scott; Nguyen, Harry Nhat; Lushington, Gerald H.; Chang, Kyeong-Ok; Groutas, William C. (Elsevier, 2018-01-01)

  Acute nonbacterial gastroenteritis caused by noroviruses constitutes a global public health concern and a significant economic burden. There are currently no small molecule therapeutics or vaccines for the treatment of ...

• Ni complexes of N2S ligands with amine/imine and amine/amide donors with relevance to the active site of Ni superoxide dismutase 

  Senaratne, Nilmini K.; Mwania, Tom M.; Moore, Curtis E.; Eichhorn, David M. (Elsevier, 2018-05-01)

  A series of Ni complexes of the form [Ni((NNS)-S-Im)(RS)] ((NNS)-S-Im = (2-(N-(dimethylaminoethyl)iminomethyl) benzenethiolate; R = phenyl, 4-nitrophenyl, 4-fluorophenyl, 4-chlorophenyl, 4-t-butylphenyl, t-butyl), as well ...

• Linear and differential ion mobility separations of middle-down proteoforms 

  Garabedian, Alyssa; Baird, Matthew A.; Porter, Jacob; Fouque, Kevin Jeanne Dit; Shliaha, Pavel V.; Jensen, Ole N.; Williams, Todd D.; Fernandez-Lima, Francisco; Shvartsburg, Alexandre A. (American Chemical Society, 2018)

  Comprehensive characterization of proteomes comprising the same proteins with distinct post-translational modifications (PTMs) is a staggering challenge. Many such proteoforms are isomers (localization variants) that require ...

• Structure-guided design, synthesis and evaluation of macrocyclic and peptidomimetic inhibitors of viral proteases 

  Damalanka, Vishnu C. (Wichita State University, 2017-07)

  Human noroviruses are the primary cause of non-bacterial acute gastroenteritis worldwide and are associated with high morbidity and a heavy economic burden. In the U.S. alone noroviruses account for ~21 million cases, ...

• Nickel amine/imine and amine/amide bisthiolate complexes as models for the active site of nickel superoxide dismutase 

  Senaratne, Nilmini K. (Wichita State University, 2017-07)

  Nickel Superoxide Dismutase (NiSOD) catalyzes disproportionation of cytotoxic superoxide radical to H2O2 and molecular O2. The mononuclear nickel center in the active site undergoes alternate oxidation and reduction ...

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