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Browsing Chemistry Faculty Research and Publications by Title

Browsing Chemistry Faculty Research and Publications by Title

Now showing items 15-34 of 44

Inhibition of ACAT, overexpression of cholesterol transporter gene, and protection of amyloid β oligomers-induced neuronal cell death by tricyclic pyrone molecules

Pokhrel, Laxman; Maezawa, Izumi; Nguyen, Thi D. T.; Chang, Kyeong-Ok; Jin, Lee-Way; Hua, Duy H. (2012)

Alzheimer’s disease (AD) is the most common cause of dementia in the elderly. A major effort in AD therapeutic development has targeted Aβ and downstream events. We have taken a rational design approach and synthesized a ...
Inhibition of norovirus 3CL protease by bisulfite adducts of transition state inhibitors

Mandadapu, Sivakoteswara Rao; Gunnam, Mallikarjuna Reddy; Tiew, Kok-Chuan; Uy, Roxanne Adeline Z.; Prior, Allan M.; Alliston, Kevin R.; Hua, Duy H.; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C. (2013)

Noroviruses are the most common cause of acute viral gastroenteritis, accounting for >21 million cases annually in the U.S. alone. Norovirus infections constitute an important health problem for which there are no specific ...
Interdependence of structure and physical properties in co-crystals of azopyridines

Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John (2013)

To establish how intermolecular interactions influence the supramolecular assembly of azopyridines, a total of five co-crystals of 3,3′ and 4,4′-azopyridine; 3,3′-azpy:succinic acid (3,3′-azpy:SA), 3,3′-azpy:adipic acid ...
Kinetic properties of alternatively spliced isoforms of laccase-2 from Tribolium castaneum and Anopheles gambiae

Gorman, Maureen J.; Sullivan, Lucinda I.; Nguyen, Thi D.T.; Dai, Huaien; Arakane, Yasuyuki; Dittmer, Neal T.; Syed, Lateef U.; Li, Jun; Hua, Duy H.; Kanost, Michael R. (2012)

Laccase-2 is a highly conserved multicopper oxidase that functions in insect cuticle pigmentation and tanning. In many species, alternative splicing gives rise to two laccase-2 isoforms. A comparison of laccase-2 sequences ...
Kirkwood–Buff integrals for ideal solutions

Ploetz, Elizabeth A.; Bentenitis, Nikolaos; Smith, Paul E. (2010)

The Kirkwood–Buff (KB) theory of solutions is a rigorous theory of solution mixtures which relates the molecular distributions between the solution components to the thermodynamic properties of the mixture. Ideal solutions ...
Kirkwood–Buff theory of four and higher component mixtures

Kang, Myungshim; Smith, Paul E. (2008)

Explicit expressions are developed for the chemical potential derivatives, partial molar volumes, and isothermal compressibility of solution mixtures involving four components at finite concentrations using the Kirkwood–Buff ...
Kirkwood–Buff theory of molecular and protein association, aggregation, and cellular crowding

Gee, Moon Bae; Smith, Paul E. (2009)

An analysis of the effect of a cosolvent on the association of a solute in solution using the Kirkwood–Buff theory of solutions is presented. The approach builds on the previous results of Ben-Naim by extending the range ...
Label-free electrochemical impedance detection of kinase and phosphatase activities using carbon nanofiber nanoelectrode arrays

Li, Yifen; Syed, Lateef; Liu, Jianwei; Hua, Duy H.; Li, Jun (2012)

We demonstrate the feasibility of a label-free electrochemical method to detect the kinetics of phosphorylation and dephosphorylation of surface-attached peptides catalyzed by kinase and phosphatase, respectively. The ...
Local fluctuations in solution mixtures

Ploetz, Elizabeth A.; Smith, Paul E. (2011)

An extension of the traditional Kirkwood-Buff (KB) theory of solutions is outlined which provides additional fluctuating quantities that can be used to characterize and probe the behavior of solution mixtures. Particle-energy ...
Luminol-based bioluminescence imaging of mouse mammary tumors

Alshetaiwi, Hamad S.; Balivada, Sivasai; Shrestha, Tej B.; Pyle, Marla M.; Basel, Matthew T.; Bossmann, Stefan H.; Troyer, Deryl L. (2013)

Polymorphonuclear neutrophils (PMNs) are the most abundant circulating blood leukocytes. They are part of the innate immune system and provide a first line of defense by migrating toward areas of inflammation in response ...
Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus

Mandadapu, Sivakoteswara Rao; Weerawarna, Pathum M.; Prior, Allan M.; Uy, Roxanne Adeline Z.; Aravapalli, Sridhar; Alliston, Kevin R.; Lushington, Gerald H.; Kim, Yunjeong; Hua, Duy H.; Chang, Kyeong-Ok; Groutas, William C. (2013)

The design, synthesis, and in vitro evaluation of the first macrocyclic inhibitor of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus are reported. The in vitro inhibitory activity (50% effective ...
Magnetic-Fe/Fe3O4-nanoparticle-bound SN38 as carboxylesterase-cleavable prodrug for the delivery to tumors within monocytes/macrophages

Wang, Hongwang; Shrestha, Tej B.; Basel, Matthew T.; Dani, Raj K.; Seo, Gwi-Moon; Balivada, Sivasai; Pyle, Marla M.; Prock, Heidy; Koper, Olga B.; Thapa, Prem S.; Moore, David; Li, Ping; Chikan, Viktor; Troyer, Deryl L.; Bossmann, Stefan H. (2012)

The targeted delivery of therapeutics to the tumor site is highly desirable in cancer treatment, because it is capable of minimizing collateral damage. Herein, we report the synthesis of a nanoplatform, which is composed ...
Nanoscopic surfactant behavior of the porin MspA in aqueous media

Perera, Ayomi S.; Wang, Hongwang; Shrestha, Tej B.; Troyer, Deryl L.; Bossmann, Stefan H. (2013)

The mycobacterial porin MspA is one of the most stable channel proteins known to date. MspA forms vesicles at low concentrations in aqueous buffers. Evidence from dynamic light scattering, transmission electron microscopy ...
Novel triacsin C analogs as potential antivirals against rotavirus infections

Kim, Yunjeong; George, David; Prior, Allan M.; Prasain, Keshar; Hao, Shuanghong; Le, Duy D.; Hua, Duy H.; Chang, Kyeong-Ok (2012)

Recently our group has demonstrated that cellular triglycerides (TG) levels play an important role in rotavirus replication. In this study, we further examined the roles of the key enzymes for TG synthesis (lipogenesis) ...
A Pairwise preferential interaction model for understanding peptide aggregation

Kang, Myungshim; Smith, Paul E. (2010)

A pairwise preferential interaction model (PPIM), based on Kirkwood-Buff integrals, is developed to quantify and characterize the interactions between some of the functional groups commonly observed in peptides. The existing ...
Point-of-care routine rapid screening: the future of cancer diagnosis?

Bossmann, Stefan H.; Troyer, Deryl L. (2013)
Preferential interaction parameters in biological systems by Kirkwood-Buff theory and computer simulation

Smith, Paul E. (2007)

Recent results concerning the formulation and evaluation of preferential interactions in biological systems in terms of Kirkwood–Buff (KB) integrals are presented. In particular, experimental and simulated preferential ...
The quest for a molecular capsule assembled via halogen bonds

Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio (2012)

A halogen-bonded capsule is obtained via directed assembly of a rigid tetra(3-pyridyl) cavitand and a flexible tetra(4-iodotetrafluorophenyl) calix[4]arene. The pyridyl nitrogen atoms from one cavitand molecule interact ...
Recent applications of Kirkwood–Buff theory to biological systems

Pierce, Veronica; Kang, Myungshim; Aburi, Mahalaxmi; Weerasinghe, Samantha; Smith, Paul E. (2008)

The effect of cosolvents on biomolecular equilibria has traditionally been rationalized using simple binding models. More recently, a renewed interest in the use of Kirkwood–Buff (KB) theory to analyze solution mixtures ...
Redox potentials, laccase oxidation, and antilarval activities of substituted phenols

Prasain, Keshar; Nguyen, Thi D.T.; Gorman, Maureen J.; Barrigan, Lydia M.; Peng, Zeyu; Kanost, Michael R.; Syed, Lateef U.; Li, Jun; Zhu, Kun Yan; Hua, Duy H. (2012)

Laccases are copper-containing oxidases that are involved in sclerotization of the cuticle of mosquitoes and other insects. Oxidation of exogenous compounds by insect laccases may have the potential to produce reactive ...

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