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Chemistry Faculty Research and Publications

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Research Update: Density functional theory investigation of the interactions of silver nanoclusters with guanine

Dale, B. B.; Senanayake, R. D.; Aikens, Christine M. (2017-02-01)

Bare and guanine-complexed silver clusters Agnz (n = 2-6; z = 0-2) are examined using density functional theory to elucidate the geometries and binding motifs that are present experimentally. Whereas the neutral systems ...
Gaussian and non-Gaussian fluctuations in pure classical fluids

Naleem, Nawavi; Ploetz, Elizabeth A.; Smith, Paul E. (2017-03-06)

The particle number, energy, and volume probability distributions in the canonical, isothermal-isobaric, grand canonical, and isobaric-isenthalpic ensembles are investigated. In particular, we consider Gaussian and ...
Detection of extremely low concentration waterborne pathogen using a multiplexing self-referencing SERS microfluidic biosensor

Wang, C.; Madiyar, F.; Yu, C. X.; Li, Jun (2017-02-14)

Background: It is challenging to achieve ultrasensitive and selective detection of waterborne pathogens at extremely low levels (i.e., single cell/mL) using conventional methods. Even with molecular methods such as ELISA ...
Incorporating I-131 into a PAMAM (G5.0) dendrimerconjugate: design of a theranostic nanosensor for medullary thyroid carcinoma

He, R.; Wang, H.; Su, Y.; Chen, C.; Xie, L.; Chen, L.; Yu, J.; Toledo, Y.; Abayaweera, G. S.; Zhu, G.; Bossmann, Stefan H. (2017-03-14)

We report the synthesis and purification of a targeting probe for Medullary Thyroid Carcinoma (MTC) by incorporating I-131 into PAMAM (G5.0) dendrimers. Both the I-131 labeled control dendrimer (I-131-PAMAM (G5.0) without ...
Fluctuation solution theory of pure fluids

Ploetz, Elizabeth A.; Pallewela, Gayani N.; Smith, Paul E. (2017-03-01)

Fluctuation Solution Theory (FST) provides an alternative view of fluid thermodynamics in terms of pair fluctuations in the particle number and excess energy observed for an equivalent open system. Here we extend the FST ...