Chemistry Graduate Research - Central Washington University

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Research Programs
A completed research project is the cornerstone
of the graduate program in chemistry. Following
is a list of graduate faculty mentors and their
respective areas of interest from which a
student can choose:
Gil Belofsky (belofskyg@cwu.edu)
Isolation and structural characterization of
organic compounds from plants. Medicinal and
pharmacological applications of natural
products.
Department of Chemistry
Central Wa. University
MS options:
•
•
•
Thesis
Non-thesis project
BS/MS 5-year program
Timothy Beng (timothyb@cwu.edu)
Development of synthetic methodology for
efficient and expedient construction
and functionalization of nitrogen and oxygencontaining heterocycles, for eventual application
in natural and unnatural product synthesis.
Anthony Diaz (diaza@cwu.edu)
Luminescence, energy transfer and degradation
processes in solid state luminescent systems.
Levente Fabry-Asztalos (fabryl@cwu.edu)
Design and synthesis of inhibitors against
therapeutically important enzymes.
Yingbin Ge (yingbin@cwu.edu)
Theoretical chemistry and computational studies
of the properties of nanoclusters, nanocatalysis,
astrochemical species and reactions.
Last revision in Feb, 2016
Anne Johansen (johansea@cwu.edu)
Chemical composition of ambient aerosol
particles and surface waters in the context of
global climate and public health. Analysis of
wines.
Todd Kroll (kroll@cwu.edu)
Identification and characterization of proteinprotein interactions regulating the size, position
and lamination of functional areas of
mammalian neocortex.
Martha Kurtz (kurtzm@cwu.edu)
Chemistry education, environmental-based
integrated inquiry, critical thinking skill
assessment.
JoAnn Peters (petersj@cwu.edu)
Laboratory and computational studies of organic
reactive intermediates.
Robert Rittenhouse (rittenhr@cwu.edu)
Computational studies of the structure and
dynamics pertaining to substrate binding in DNA
repair enzymes.
Dion Rivera (riverad@cwu.edu)
Spectroscopic investigations of macromolecular
complexes of polyelectrolytes and surfactants in
solution and at nanoparticle interfaces.
Tim Sorey (soreyt@cwu.edu)
Development and integration of instrumental
measurement technology in educational
laboratories and the synthesis of educational
strategies that support their use.
Carin Thomas (thomasc@cwu.edu)
We study the effects of environmental
contaminants and nanoparticles on biological
systems, examining how these chemicals
interact with reactive oxygen species and
antioxidants to affect cellular and mitochondrial
function.
Belofsky Research
Why Natural Products?
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
Some Current Projects:
(Other Dalea species are also currently under investigation)
Collaborators: Blaise Dondji and students (CWU, Biology).
Dalea ornata
Status: Manuscript in preparation; ten
compounds reported.
Activity: Anti-hookworm (anthelmintic).
Dalea emoryi (Psorothamnus emoryi)
Status: Compound isolation and
characterization is ongoing…
Activity: A compound that is quite
active against hookworm has been
revealed, the known compound
dalrubone:
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.
We also discovered a new compound we
named emoryan that is weakly active:
chromatography
column showing
the purification of
dalrubone
Diaz Research Group – electron migration and trapping in luminescent materials
Dr. Diaz’s research involves the study of electronhole (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.
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.
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
HO
B
H
N
N
Ac-Ser-Leu-Asn-HN
OH
O
OH
B
R1 N
R2
Pharmacology
Dr. Levente Fabry-Asztalos; fabryl@cwu.edu; (509) 963-2887; SCI 302F
O
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.
2.5
log(Predicted_IC50)
2
S
1.5
1
N
O
H
N
N
N
H
0.5
R 2 = 0.7673
O
0
-1
-0.5
0
0.5
1
1.5
2
N
H
N
O
S
O
2.5
-0.5
-1
log(Actual_IC50)
Pharmacology
25
Distance (Å)
20
15
10
5
0
AR
G
LE 8
U
AS 23
P2
AS 5
P
VA 29
L3
IL 2
E
PR 47
O
VA 81
L8
AR 2
G
LE 8
U2
AL 3
A2
AS 8
P
VA 29
L3
IL 2
E
PR 50
O
8
IL 1
E8
4
-1.5
OH
1D4Y to 1HPV
1D4Y to 1HXB
1D4Y to 1HXW
1D4Y to 1MUI
1D4Y to 1OHR
1D4Y to 2BPX
1HPV to 1HXB
1HPV to 1HXW
1HPV to 1MUI
1HPV to 1OHR
1HPV to 2BPX
1HXB to 1HXW
1HXB to 1MUI
1HXB to 1OHR
1HXB to 2BPX
1HXW to 1MUI
1HXW to 1OHR
1HXW to 2BPX
1MUI to 1OHR
1MUI to 2BPX
1OHR to 2BPX
Computer Modeling
Atoms
Medicinal Chemistry
Organic synthesis
Dr. Levente Fabry-Asztalos; fabryl@cwu.edu; (509) 963-2887; SCI 302F
Chemistry with Computers
Astrochemistry in Ice
Yingbin Ge
From water to
water oxide to
hydrogen peroxide
Europa
Callisto
Ganymede
Ptn
C3H8 + 1/2O2 C3H6 + H2O
Bulk silicon
Si nanoclusters emit bright light

7
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?
Johansen Research - Current Projects
1. Iron in Aerosol Particles (NSF) – Implications
on Global Climate and Human Health
•
•
Crustal/Marine
Anthropogenic
2. Pollution Monitoring at Mt. Rainier and North
Cascades National Parks (NPS)
•
Precipitation
• High elevation lakes
3. Chemistry of Faulty Wines
• Analyses
• Method development
(Continuing Ed. And Biology)
Nature of the Work - Examples
Field
Aerosol Collector
Collect particles
in 4 size
fractions at sea
and regionally.
Laboratory
Solar Simulator
Study photochemistry
in synthesized and
ambient aerosols.
QUANTITATIVE ANALYSIS
Instruments in
Chemistry, Geology, EMSL
IC, Chemiluminescence FIA, ICPMS,
XPS
ExamplesFactors
of new
Kroll
Lab: Graded
Expression of Transcription
Methods
and results
flavanoids found…
Regulates Neocortical Arealization
Graded Expression:
A gene being turned on in a high to low gradient.
Transcription Factors:
Class of proteins that regulate the turning on and
off of specific genes
Neocortical Arealization:
The process of dividing the neocortex into
functional units
The neocortex of all mammalian species
Structure determination of unknown compounds
have four primary areas, the Motor (M),
Extensive 1D and 2D NMR spectroscopy
Somatosensory
(S1),
(V1),
and
Recent
upgrade of our
ownVisual
400 MHz
instrument
to
runAuditory
advanced(A1)
2D experiments like HSQC & HMBC
High resolution
mass
spectrometry
The
sizes
of these areas are different in
Sent to the
University
of Iowa
different
individuals………Why?
We continue to find new,
interesting and active
compounds from this plant
genus!
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.
Chemical Education
Dr. Martha J. Kurtz
Current Research Interests:

Critical Thinking Skills Assessment through
Community-based Inquiry

Secondary Science Classroom Practice
related to Elements of Effective Science
Instruction

Effectiveness of STEP Program in recruiting
and retaining STEM majors

Environment-based Integrated Learning in
K-12 Schools

Misconceptions in Science
Chemical Education Research

Knowledge and skills developed through
education research





Human subjects protocols
Qualitative and quantitative research methods
Controlling variables in studies of human behavior
Applied statistics
Understanding of effectiveness of various teaching
strategies
Applications of Computational Chemistry to the
Mysteries of DNA Repair
Rittenhouse research
rittenhr@cwu.edu
substrate
primer DNA
Mg2+ ions
Solvated enzyme/gapped-DNA/ddCTP complex
studied via molecular dynamics simulation
Rittenhouse research
rittenhr@cwu.edu
MD simulation = all atoms + forces + thermal energy + time
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)
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
Original Data Matrix
= Matrix with Dye removed
2
0.35
1.8
2
0.3
1.6
0.25
1.5
1
0.2
=
0.15
Constrained Absorbance
1.4
1.2
1
0.8
0.6
0.1
0.5
0.4
0.05
0
200
250
300
350
400
450
500
550
0
0.2
0
200
250
300
350
400
450
500
550
600
200
250
300
350
wavelength (nm)
400
450
500
Sorey Research Group –
Timothy L. Sorey, PhD.
Central Washington University
soreyt@cwu.edu
(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
Top View
Legend to Apparatus:
(a)
(a) Removable LED light source
(b) Sample Cell
(c) Standard Cell
(d) Stationary Polarizer Film
(e) Rotating Polarizer Film
(f) Phototransitor
(g) Stepper Motor
(h) Data Acquisition
(i) Computer
(f)
(b)
(g)
(a)
(c)
Note: Dashed lines
(d)
(f)
(e)
(h)
Power
Supply
(i)
Side View
End View
(e)
(d)
(c)
(End View)
(b)
(g)
(c)
(g)
(a)
(f)
(e)
(h)
Power
Supply
(i)
This is the “End View” that is
drawn from a perspective behind
the stepper motor, (g), towards the
Rotating Polarizer Film, (e).
0.00g/10mL D-Fructose
2.00g/100mL D-Fructose
3) Calibration and validation of polarimeter with D-Fructose
Concentration
(g/10mL)
-0.0211
0.00
0.117
0.50
0.285
1.00
0.367
1.50
0.555
2.00
0.5
Delta Phi
Delta Phi
(ΔΦ)
Delta Phi versus Concentration - D-Fructose
0.6
y = 0.2808x - 0.0202
R² = 0.9903
0.4
0.3
0.2
0.1
0
-0.1
-0.1
0.4
0.9
Concentration (g/10mL)
1.4
1.9
Thomas Research Group: Effects of Environmental Factors on
Mitochondrial Function and Reactive Oxygen Species Generation
2
1
2
HO
2
µM
1.5
0.5
0
-0.5
-500
0
500
1000
Time (s)
1 e-
• Cellular respiration and ATP synthesis
• Reactive Oxygen Species (ROS)
• Antioxidant and Repair processes
• Cell Signaling
• Apoptosis: Cell Death
O2· −
H2O2
Fe2+
4 e· OH
1500
2000
Mitochondrial Energetics & ROS
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
If you are interested in the research of our
graduate faculty members, please contact them
via email or phone to ask for more information
or make an appointment.
Their contact information can be found at
http://www.cwu.edu/chemistry/faculty
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