Research student example of development and test of computer-based instrument

4. Timothy L. Sorey, PhD. Central Washington University soreyt@cwu.edu Sorey Research Group – (continued) Research student example of development and test of computer-based instrument 1) Schematics of comparison polarimeter 2) Build and test of instrument for change in phase (Φ) between the standard and sample polarimeter cells 0.00g/10mL D-Fructose 2.00g/100mL D-Fructose 3) Calibration and validation with D-Fructose

5. Current projects: Daleaformosa Status:manuscript ready for submission. 7 new and 1 known compound(s). Activity: antifungal and related. Collaborator: MarcinKolaczkowski (Poland). Daleasearlsiae Status: Isolation and characterization nearly complete. 3 new and 5 known compounds. Activity: Antibacterial and antiinsectan. Collaborators: Eric Foss (CWU, Biology) and Patrick Dowd (USDA-ARS, Peoria, IL). Daleaornata Status: Early stages of purification of extracts. Activity: Anti-hookworm and antibacterial. Collaborators: BlaiseDondji and Eric Foss (CWU, Biology). Psorothamnusemoryi(Daleaemoryi) Status: Early stages of purification. No associated activity to date… Why Natural Products? Belofsky Research Track record of success Discovery process High-demand skills Field work component Rationale for Selection of Organisms of Interest Ecological: suspected chemical defenses or communication Geographic: “extreme” or difficult to access environments Taxonomic: infrequently or never before studied Ethnographic: traditional or folklore uses We have been heavily focused on the chemistry of the plant genus Dalea, after investigating many different genera using the above rationale.

6. Thomas Research Group: Effects of Environmental Factors on Mitochondrial Function and Reactive Oxygen Species Generation 1 e- O2· − • Cellular respiration and ATP synthesis • Reactive Oxygen Species (ROS) • Antioxidant and Repair processes • Cell Signaling • Apoptosis: Cell Death H2O2 Fe2+ 4 e- · OH

7. Mitochondrial Energetics & ROS

8. Aerobic organisms have engineered antioxidant defenses against ROS Superoxide Dismutase (MnSOD) 2O2.- + 2H+  H2O2 + O2 Glutathione Peroxidase (GPx) GSH = intracellular thiol H2O2 + 2 GSH  2 H2O + GSSG Glutathione Reductase NADPH, H+ + GSSG  2 GSH + NADP+ Nicotinamide Nucleotide Transhydrogenase NADH, H+ → NAD+ + NADPH, H+ facilitates GSH recycling and removal of H2O2

9. Methods and results Examples of new flavanoids found… • Structure determination of unknown compounds • Extensive 1D and 2D NMR spectroscopy • Recent upgrade of our own 400 MHz instrument to • run advanced 2D experiments like HSQC & HMBC • High resolution mass spectrometry • Sent to the University of Iowa We continue to find new, interesting and active compounds from this plant genus!

10. Kroll Lab: Graded Expression of Transcription Factors Regulates Neocortical Arealization Altering the concentration gradients of any of these transcription factors results in predictable changes in the size of neocortical areas: normal Emx2 reduced Emx2 change in gradient change in area sizes but, there are always clear boundaries separating the areas The big question now are: 1) How are these boundaries established 2) How do these transcription factors transmit positional information within the cells We are attempting to answer these questions by finding the proteins to which these transcription factors interact.

11. Fabry Research Group Design and Synthesis of Novel Enzyme Inhibitors My research group is interested in addressing biologically and medically important questions. The focal point of our research is the design and synthesis of small molecule inhibitor scaffolds against therapeutically important enzymes. Our goal is to find orally active inhibitors that could become lead compounds for further drug discovery. During this process, we are developing new and improving already known synthetic chemistry methodologies. To achieve our goals we use all the modern tools of medicinal chemistry and organic synthesis. Medicinal Chemistry Organic Synthesis Computer Modeling Pharmacology Dr. Levente Fabry-Asztalos; fabryl@cwu.edu; (509) 963-2887; SCI 302F

12. Fabry Research Group Design and Synthesis of Novel Enzyme Inhibitors Also, as a joint research effort with a computer science group we develop and extensively test new molecular modeling and computational chemistry techniques. This endeavor centers on molecular modeling, as well as computational intelligence techniques, which include neural networks, fuzzy systems, evolutionary computation, and biology inspired computational models. Pharmacology Computer Modeling Medicinal Chemistry Organic synthesis Dr. Levente Fabry-Asztalos; fabryl@cwu.edu; (509) 963-2887; SCI 302F

13. Rivera Research Group Investigation of macromolecular complexes and their interactions with guest molecules. H2O Polyelectrolyte/surfactant Complex (PSC) Goals: To understand how the PSC interacts with guest molecules. Understand the effects of the structure of the guest molecule on the its interaction with the PSC. Understand the influence of different surfactants on the formation of the PSC. TiO2(s)

14. Analytical Techniques Used: ATR-FTIR, UV-vis, quartz crystal microbalance, and surface tension measurement. Since macromolecular systems are inherently complex multivariate data analysis techniques such need to be applied to the acquired data in order to fully understand the systems. Example of a constraint applied to the UV-vis data set. - Matrix of Dye Spectra Matrix with Dye removed = Original Data Matrix - =

15. Diaz Research Group– electron migration and trapping in luminescent materials Dr. Diaz’s research involves the study of electron-hole (e-h) pair transport and trapping in doped luminescent materials under vacuum ultraviolet (VUV) excitation. Excitation by VUV radiation leads to the formation of an e-h pair in the host. In order for luminescence to occur this e-h pair must be trapped by the rare earth dopant. However, the electron may also be trapped by bulk killers (impurities or defects), or it may be lost to surface states. In this figure YBO3 is the host and Eu3+ is the dopant. The purpose of our research is to quantify the fate of the e-h pair after absorption of a VUV photon takes place. Above is another view of the process, which shows the electronic states involved. Once created, the e-h pair migrates through the lattice until it is trapped by killers or by a dopant. Dopant states are in blue, and loss to killers is indicated by the dashed line. The overall efficiency of host excitation once a photon is absorbed is given by hhost = ht*hqe, where ht is the transfer efficiency and hqe is the quantum efficiency of the dopant after the e-h pair is trapped. The transfer efficiency is then hhost/hqe. These quantities are determined spectroscopically via absorbance and excitation measurements – essentially comparing the amount of light the material absorbs to the amount of light emitted by the dopant after absorption.

16. Diaz Research Group– electron migration and trapping in luminescent materials Once transfer efficiency data are collected they are modeled using the equation on the left. The transfer efficiency is simply the ratio of the rate of transfer to dopants (also called “activators”) divided by the combined rate of trapping by killers and activators. The multiplier Sloss is equal to 1 when no energy is lost to the surface, and approaches zero as more surface loss takes place. If transfer efficiency data are collected for a series of dopant concentrations, the a/b ratio and the value of Sloss can be determined. Theoretical curves are shown below on the left, while recent data on nanocrystalline YBO3:Eu3+ are shown on the right. With particle sizes > 500 nm no surface loss is observed, while at 25 nm more than 40% of absorbed energy is lost to the surface.

17. Astrochemistry in Ice From water to water oxide to hydrogen peroxide Callisto Chemistry with ComputersYingbin Ge Europa Ganymede Ptn C3H8 + 1/2O2 C3H6 + H2O Si nanoclusters emit bright light Bulk silicon 

18. My recent presentations and research interests are posted on http://www.cwu.edu/~yingbin/research.html My CV including a publication list is posted on http://www.cwu.edu/~yingbin/cv/cv.pdf My questions to you are which one of my papers or projects interests you the most and why?

19. Johansen Research - Current Projects • Iron in Aerosol Particles (NSF) – Implications on Global Climate and Human Health • Crustal/Marine • Anthropogenic • Pollution Monitoring at Mt. Rainier and North Cascades National Parks (NPS) • Precipitation • High elevation lakes • Chemistry of Faulty Wines • Analyses • Method development • (Continuing Ed. And Biology)

20. Nature of the Work - Examples Laboratory Field Aerosol Collector Collect particles in 4 size fractions at sea and regionally. Solar Simulator Study photochemistry in synthesized and ambient aerosols. QUANTITATIVE ANALYSIS Instruments in Chemistry, Geology, EMSL IC, Chemiluminescence FIA, ICPMS, XPS

21. Chamberland Research Group: Synthetic/Medicinal Organic Chemistry We Make New Molecules That Target Biological Systems We Aim to be First! • Current Research Projects • Total synthesis of clavatadine A, a potent Factor XIa inhibitor (antithrombotic agent) • Total synthesis of b-carboline analogues, active against fungi, bacteria, and leukemia • Total synthesis of phidianidines A and B, active anti-cancer agents • Future Research Goals • Design, synthesize, and perform biological testing of clavatadine A and b-carboline analogues to develop new, more effective medicines for thrombosis and cancer • Synthesize new natural products that are biologically active and structurally interesting • Computational chemistry research: the alpha effect vs. the anomeric effect…who wins? Dr. Stephen Chamberland chambers@cwu.edu; (509) 963-1126; SCI 302H

22. Chamberland Research Group: Synthetic/Medicinal Organic Chemistry Clavatadine A project: First total synthesis of a new FXIa inhibitor inhibits Result: hemostasis vs. excess clotting and/or hemorrhage • Carbamate formation between an azidoisocyanate • and a dibrominated phenol as the key step ClavatadineA binds to the FXIa active site, then is cleaved by the enzyme