Get documents about "1999 SUMMER EMPLOYMENT OPPORTUNITIES
Document Sample
2010 SUMMER RESEARCH OPPORTUNITIES
FOR UNDERGRADUATE STUDENTS
IN CHEMISTRY
Department of Chemistry
University of Calgary
Carol Crooks
Undergraduate Affairs
Chemistry General Office; Science A 109
Department of Chemistry
University of Calgary
Calgary, AB T2N 1N4
2
This booklet describes summer research opportunities for undergraduate students in the Department
of Chemistry at the University of Calgary during the period of May to August, 2010.
I. Summer research projects
The following pages describe projects that are offered subject to availability of funds by various
faculty members, and that are suitable for students with the stated qualifications. Normally, these
projects are part of ongoing research programs, the results of which, in principle, are publishable in
refereed scientific journals. The programs are generally funded by grants from national or provincial
agencies or by contracts with government or industry. In some instances the projects may involve
exploring and/or improving undergraduate laboratory experiments, in which case they are funded by
the Department. Clearly, these summer positions offer unique opportunities for students to become
involved with original research in chemistry thereby providing experience and undoubtedly assisting in
making career decisions.
II. How to find a position
In order to secure a summer research position in the Department you are urged to enquire early.
Examine the descriptions in this booklet, and then speak to faculty members whose projects appeal
to you most. Go directly to their offices or phone them to arrange a mutually convenient time. In
conversation you will want to become better informed about the project.
As there are no application forms to submit, faculty members may request a résumé and/or an
academic transcript.
Not all research opportunities in the Department will be contained in the project descriptions of this
booklet. You should also consider speaking with other faculty members in the Department. A
complete list of names of all faculty members and their main research interests is given on pages 25-
29.
III. Working conditions
The stipend and the number of hours are, to a certain extent, left up to agreement between the
faculty member and the student.
IV. Types of programs and typical pay
Funding for undergraduate summer research is most commonly provided from the individual
researcher’s grants or contracts. Additional funds given directly to the student from Federal and
Provincial sources are available in the form of summer studentships from the Natural Sciences and
Engineering Research Council (NSERC: www.nserc.ca), and from the Alberta Heritage Foundation
for Medical Research (AHFMR: www.ahfmr.ab.ca) if the work has medical relevance. In order to be
eligible to apply for an NSERC award, a student must have a cumulative GPA of 3.0 or better.
Application forms (NSERC Form 202, Part I and Part II) are available from the NSERC website at
3
www.nserc.ca. Both the NSERC and AHFMR studentships are awarded by competition based mainly
on grade point average (GPA). At time of print, the value of the 2010 NSERC award is $4,500 for a
16 week period and will also be supplemented from grants by the research supervisor. The value of
the 2010 AHFMR studentships is currently set at $1,300 per month.
The deadline for submitting NSERC applications to the Chemistry Office is January 29, 2010. Please
note that it is necessary to submit an official transcript with your application.
4
Dr. Tom Back Office: SB 217
Phone: 403-220-6256
E-mail: tgback@ucalgary.ca
Project Title:
ORGANIC SYNTHESIS DIRECTED TOWARD BIOLOGICALLY INTERESTING TARGET
COMPOUNDS
Our research is directed towards the development of novel synthetic methodology, especially
enantioselective processes, that can be employed in the synthesis of products that display medicinal or
other useful biological activity. Examples of some target molecules that are of current interest are
shown below. Thus, pumiliotoxin C is an alkaloid found in the toxic skin secretions of neotropical
frogs that are used as an arrow poison by indigenous tribes. It, and related compounds, have potential
medicinal properties and uses as biochemical tools because e.g they possess cardiotonic activity, and
act as blockers of the nicotinic acetylcholine receptor channel. Virantmycin is another alkaloid that
has powerful antiviral activity. Bakkenolide A is a structurally unusual naturally-occurring spiro
lactone that exhibits strong insect antifeedant properties against several species of insect pests. We
also have long-standing interests in both natural and “designer” steroids. For example, finasteride is a
drug that blocks the enzyme 5 -reductase, which has been implicated in benign prostatic hypertrophy.
However, a second generation of analogues is needed for improved therapeutic performance and for
extension to the treatment of prostatic cancers. Antibiotic A25822 B is a powerful antifungal agent,
while brassinolide is a plant hormone that stimulates the growth of diverse species of commercially
important plants at remarkably low concentrations.
H OMe O
H
N O
N HO2C Cl
H H
H OH
Pumiliotoxin C Virantmycin Bakkenolide A
R
OH
HO
N
O N HO O
HO
H O
Finasteride analogues Antibiotic A25822B Brassinolide
Number of Students: 1 or 2 (subject to availability of funds)
Prerequisites:
Chem 355 or the equivalent is essential; Chem 453 is highly desirable. Students should be enrolled in a
Chemistry Honours or Majors program and have attained a high GPA. Eligibility for NSERC or other
Summer Studentships is a definite asset.
5
Dr. Thomas Baumgartner Office: SB 229A
Phone: 403-220-3039
E-mail: Thomas.baumgartner@ucalgary.ca
Project Title:
SYNTHESIS AND OPTOELECTRONIC PROPERTIES OF DITHIENOPHOSPHOLE
MATERIALS
-Conjugated organic materials are an important class of compounds. They exhibit semiconducting
properties that allow for a potential application in molecular electronic devices such as Organic Light
Emitting Diodes (OLED), Organic Field Effect Transistors (OFET/OTFT) as well as Solar Cells.
Devices based on organic materials have the potential to replace the commonly established
technologies eventually. In this context, our group has developed the novel dithienophosphole system
with very advantageous properties in terms of reactivity, stability, and tunability of its optoelectronic
properties. Dithienophospholes are strongly fluorescent compounds and we are continuing to
investigate their intriguing properties using systematic structure-property variations by incorporating
them in a variety of different organic materials.
The project will involve the handling of air- and moisture sensitive compounds using Schlenk-
techniques as well as the determination of the optoelectronic properties of the product materials by
fluorescence spectroscopy. Further analytical tools will include multinuclear NMR spectroscopy, Mass
Spectrometry, Elemental Analysis, and X-ray Crystallography.
Number of Students: 1
Prerequisites:
CHEM 331/333, 351/353 or 355; 453 is desirable. Interest and enthusiasm would be an asset.
6
Dr. Viola Birss Office: ES 656D
Phone: 403-220-6432
E-mail: birss@ucalgary.ca
Project Title:
SYNTHESIS AND APPLICATIONS OF THIN FILMS ON ELECTRODE SURFACES
Many films, when deposited on electrode surfaces, have important industrial applications, examples
being as battery electrodes, as electrocatalysts (e.g., in fuel cells), as supercapacitors, in electrochromic
devices, as biosensors, and in combating corrosion. In our lab, we deposit thin films using a range of
methods, including electrochemical and sol gel approaches. These films can be metallic, metal oxides
or polymeric and can range from one monolayer to many microns in thickness.
Several research projects are likely to be available this coming summer. One of these involves the
synthesis of new films which are catalytic towards reactions such as methanol and methane oxidation
or oxygen reduction. A second project targets the optimization of an electrochemical sensor for
glucose and other biological species. Another project involves efforts to improve the lifetime of thin
layers that serve as anodes in high temperature fuel cells. Film characterization will be achieved using a
wide range of methods, including cyclic volammetry, ac impedance, in situ mass measurements using
the quartz crystal microbalance technique, ellipsometry, X-ray diffraction, thermal gravimetric analysis,
and ex situ scanning and transmission microscopy.
Number of Students: Between 1 and 3
Prerequisites:
Chemistry 311/315. Experience with instrumentation would be an asset.
7
Dr. Peter Clark Office: SB 231
Phone: 403-220-5294
E-mail: pdclark@ucalgary.ca
Brief Description:
A variety of projects involving the inorganic and organic chemistry of sulfur are available. Many
pertain to the recovery of sulfur from oil and gas, but some deal with aspects of organic synthesis,
heterogeneous catalysis and analytical methods that can be applied to sulfur compounds. Students are
advised to consult Dr. Clark if they have interests in these areas.
Number of Students: Open
Prerequisites:
Chemistry 351/353 or 355, 331/333 and associated courses to that level.
8
Dr. Jürgen Gailer Office: SB 405
Phone: 403-210-8899
E-mail: jgailer@ucalgary.ca
Project Title:
BIOTRANSFORMATION OF MERCURY COMPOUNDS IN RABBIT BLOOD
Mercury is present in the earth’s crust at an average concentration of ~0.05 ppm. Owing to the large
scale emission of mercury into the environment through anthropogenic activities, such as fossil fuel
combustion and metal smelting, mercury has become a global pollutant. Consequently certain human
populations are exposed to higher dietary levels of mercury compounds than ever before. The
biotransformations of environmentally abundant mercury compounds in mammalian tissues, however,
are poorly understood. After the absorption of CH3Hg+ from the gastrointestinal tract into the
bloodstream, it will be rapidly uptaken by red blood cells [1]. Using an established HPLC separation
for Hg2+ and CH3Hg+ [2], this project aims to study the demethylation of CH3Hg+ in red blood cell
lysate. Frozen rabbit blood cell lysate (2.0 ml) will be thawed and incubated at 37°C. After the addition
of CH3Hg+ to the lysate, sample aliquots (200 µl) will be analyzed by HPLC-flame atomic absorption
spectrometry/inductively coupled plasma atomic emission spectrometry. These experiments will reveal
whether CH3Hg+ can be demethylated to Hg2+ inside erythrocytes.
Number of Students: 1
Prerequisites:
Chem 355 or the equivalent; Chem 451/453/421 is desirable. Eligibility for NSERC studentship is an
advantage.
Literature:
J. Gailer, Coord. Chem. Rev. 251, 2007, 234-254.
A.J. Percy, M. Korbas, G.N. George and J. Gailer, J.Chromatogr A, 1156, 2007, 331-339.
9
Dr. Belinda Heyne Office: SB 419
Phone: 403-220-3887
E-mail: bjmheyne@ucalgary.ca
Project Title:
INVOLVMENT OF REACTIVE OXYGEN SPECIES IN THE DEVELOPMENT OF BREAST
CANCER
Breast cancer is the most common cancer among women. One in nine women is expected to develop
breast cancer during her lifetime and one in 27 will die of it. While the causes of breast cancer are not
known, the major risks are related to gender and age.
Several studies have demonstrated a high level of DNA damage related to the production of hydroxyl
radical in breast tumor. In addition, large radiation doses, known to produce hydroxyl radical by
ionizing water, were also found to favor breast cancer. While the results of these studies tend to prove
the implication of hydroxyl radical (a reactive oxygen species), the implication of reactive oxygen
species in the development of breast cancer has never been studied. However, reactive oxygen species
have proven to be implicated both in the initiation and progression of other cancer.
Two research projects are likely to be available this summer. The first one involves the study of the
mechanism of reaction between estrone (female hormone) and hydroxyl radical. This project will
O require analyzing the kinetic of this reaction by spectroscopic techniques as well as
H characterizing the nature of the product formed by chromatography. This project is
H H predominant in understanding the role plays by reactive oxygen
HO
estrone
species in breast cancer. Indeed, the product resulting from the
oxidation
of estrone
might have the same physiological behavior than the intact hormone, but Estrogen Receptor
it
could induce a mistake in the cell replication. The second project will focus
on studying the interaction between the estrogen receptor (protein binding hormone) and hydroxyl
radical. The nature of the damage induced to the estrogen receptor will be characterized by
spectroscopic technique.
Number of Students: 1 or 2
Prerequisites: Enthusiasm and an eagerness to learn. Some background in Physical Chemistry would
be an asset.
10
Dr. Belinda Heyne Office: SB 419
Phone: 403-220-3887
E-mail: bjmheyne@ucalgary.ca
Project Title:
PRODUCTION OF SINGLET OXYGEN BY VISIBLE IRRADAITION OF GREEN
FLUORESCENT PROTEIN
Green Fluorescent Protein (GFP) is an unusual protein derived from the bioluminescent jellyfish
“Aequorea Victoria” found near Victoria (BC). Due to its interesting emissive properties (figure1), and
its ability to be expressed in other organisms creating a fluorescence tag for proteins, GFP has become
the most commonly used tool in molecular and cell biology. Since its discovery in 1962, it is has been
reported that upon visible irradiation, GFP undergoes a permanent photobleaching. Few studies have
been undertaken in order to investigate the nature of this photobleaching, suggesting the implication of
singlet oxygen (1O2) produced by GFP itself. Production of 1O2 by GFP triggers our attention since it
has been widely reported that GFP is not sensitive to molecular oxygen, essential for 1O2 production.
Two research projects in the field of photochemistry are likely to be available this summer. One
involves the synthesis of the chromophore responsible for GFP fluorescence (figure 1), and the
measurement of its 1O2 quantum yield in different solvents. This will mainly imply the use of
spectroscopic techniques (absorption and fluorescence). The second project targets the eventual
interaction between GFP and 1O2. The rate constant for the reaction will be estimated by fluorescence
spectroscopy. The damage induced to the protein by 1O2 will be characterized by spectroscopic and
chromatographic techniques.
Figure 1: GFP, its chromophore, and its absorption and emission spectra.
Number of Students: 1 or 2
Prerequisites: Enthusiasm and an eagerness to learn. Some background in Physical Chemistry would
be an asset.
11
Dr. Farideh Jalilehvand Office: SB 213
Phone: 403-220-3855
E-mail: faridehj@ucalgary.ca
Project Title:
METAL COMPLEXES OF SMALL MOLECULES WITH BIOLOGICAL INTEREST
Metal ions are vital for our health. Some have important functions in enzymes (e.g., Zn, Cu, Mo),
while others are involved in the charge transport process (e.g., K, Na). Some have multiple roles, like
Fe that is responsible for oxygen transport and electron transfer. Some metal compounds have medical
applications, like cis-platin, [Pt(NH3)2Cl2] used as anti-cancer drug.
For a few anti-cancer drugs, earlier studies have shown that their activity is enhanced when they are
bonded to a transition metal ion, i.e., their metal complexes show enhanced anti-cancer activity. In this
project, we will investigate the structure of these metal complexes in solid and solution state.
During this project, the student will synthesize these complexes and learn how to characterize them
using different techniques, such as elemental analysis, thermal gravimetric analysis, vibrational
spectroscopy (Raman and IR), and X-ray absorption spectroscopy (XAS). The student will have the
opportunity to learn about the XAS technique, and related computer programs for extracting
information about how the chemical bonds to the metal ions (such as metal-ligand bond distances) in
these complexes can explain their properties.
Number of Students: 1
Prerequisites:
Students should have completed the major undergraduate chemistry courses, specifically CHEM 311/
315 (analytical), 331/ 333 (inorganic), 371/ 373 (physical). Minimum GPA of 3.4 is required.
12
Dr. Brian A. Keay Office: BIO570 (Lab SB436)
Phone: 403-210-8434
E-mail: keay@ucalgary.ca
Project Title:
SYNTHETIC APPROACH TO (+)-HALENAQUINONE AND (+)-VIRIDIN
We reported the first asymmetric synthesis SchemeProducts (+)-Xestoquinone, (+)-Halenaquinone and[A(PC) ] Toward
Natural
1. Asymmetric Pd-Catalyzed Polyene Cyclizations
(+)-Viridin
2
of
(+)-xestoquinone (5) (a potent irreversible OMe
OTBS
OMe OTf
inhibitor of both oncogenic PTK pp90v-src and Cl +
X 3 steps
X
R
human epidermal growth factor kinase). The key OMe 1 O
Li O R
OMe O 3a-e
O step
2 OTBS 2a) X=OSi(iPr) , 2b) X=OMe,
3
of the synthesis involved an A(PC) , generating S B
2c) X=OEt, 2d) X=OiPr, R=TBS
2e) R=H, X=OTIPS
Pd (dba) , (R)-BINAP
2 3 two
o
toluene, 110 C, 48 h
COCl
rings and the stereogenic centre in one reaction S
A 8
OMe
O
X X
D OMe D
using Pd((R)-BINAP)2 as a catalyst (3→4, X=H, HO
D
O
2 steps
A B C E A B C E
Scheme 1). Our synthesis of (+)-5 was short, B C E O O
O O O OMe O 4
convergent and enantioselective. We have been O A
O
5 (+)-xestoquinone (X=H, H) 68% ee
6 (+)-halenaquinone (X=O)
working on extending this route to the synthesis 7 (+)-viridin
of
4 5
(+)-halenaquinone (6) and (+)-viridin (7); both possess more biological activity than (+)-5 while
sharing similar carbon skeletons. To date, the aromatic components for natural products 5, 6, and 7
have been synthesized, i.e. 1 & 8.
We plan to synthesize the C and D rings (and stereocentre) of (+)-6 and (+)-7 via a novel domino
sequence. This would involve an initial intramolecular asymmetric Heck reaction followed
immediately by an intramolecular anion capture reaction of the incipient σ-bound Pd species
(9→10→11, Scheme 2). While there have been Scheme 2. Development of a Sequential Intramolecular Asymmetric Heck
Reaction/Intramolecular Anion Capture Reaction For the Synthesis of
many reports of intermolecular anion capture (+)-Halenaquinone
of σ-bound Pd species, to our knowledge this
intramolecular Heck/carbanion capture P R
CO Et 2
CO Et 2 P Pd - O
combination of reactions is unprecedented. OTf
O Pd, ligand
O D
Subsequent decarboxylation of the ester in 11 ethanol, NaOEt C
C
O
O R 80 C, 48 h o O
will provide 12, which has the ketone required O 9 10 O
11 R=CO Et O
12 R=H
2
for the synthesis of (+)-halenaquinone (6). intermolecularFriedel-Crafts acylation
followed by
Heck/carbanion capture
CO Me 2
Furan precursor 8 will be prepared using OTf Pd, ligand CO Me 2
1. NaOH, MeOH
dimethyl malonate
chemistry we previously developed. If this C
heat
ethanol, NaOMe O 2. SOCl , DMAP
reaction fails, we will start with 13 and trap the O
O
13
80 C, 48 h o
14 O 3. AlCl 3
2
initially formed σ–Pd species (not shown) with
dimethyl malonate, via an intermolecular anion capture, to give 14. A subsequent intramolecular
Friedel-Crafts reaction would then provide 12. If this approach is succ-essful, then the sequence will be
repeated using 1 as the aromatic component to prepare (+)-6.
As a member of the K-lab, you will learn how to design, setup, monitor, workup and purify organic
reactions. You will receive hands-on experience with the following instruments: 1H, 13C and 31P
NMR, GC/MS, FTIR and chiral HPLC. Your day-to-day supervisor in the lab will be Daniela
Lucciola.
For more information on my research group, go to: http://www.ucalgary.ca/~keay/publication.html
Number of Students: 1
Prerequisites: Chem 355 or 353. Students should be enrolled in a Chemistry Honors or Majors
program.
13
Dr. Peter Kusalik Office: SB 323
Phone: 403-220-6244
E-mail: pkusalik@ucalgary.ca
Project Title:
MOLECULAR SIMULATIONS OF CRYSTAL GROWTH
The thrust of this research work is to model crystal growth at the molecular level to help understand the
nature of the solid/liquid interface and the molecular processes involved in the formation of a crystal.
In this work a student would perform molecular (computer) simulations of crystal growth from solution
or from a liquid (such as water) using simple models to represent the interactions between the
molecules (or particles). While running and monitoring rather extensive sets of calculations, a student
would also perform analysis of the results obtained. This analysis would include an examination of
profile functions obtained for various physical properties, as well as detailed inspections (i.e.,
visualizations) of the molecular systems themselves.
Number of Students: 1 or 2 (subject to availability of funding)
Prerequisites:
Interest, enthusiasm, and a willingness to learn. Some background in physical chemistry and
computing experience would be assets.
14
Dr. Cooper Langford Office: SA 023A
Phone: 403-220-3228
E-mail: chlangfo@ucalgary.ca
Project Title:
DEVELOPMENT OF PHOTOCATALYSTS FOR TREATMENT OF WASTE WATER:
STUDIES OF SOIL CONTAMINATION
The laboratory is working on the development of photocatalysts for use in the oxidation of organic
contaminants in water. Opportunities will exist to evaluate photocatalysts for use on petroleum spill
components, ground waters, and drinking water samples. As well, we are conducting research on
contaminant mobility in soils using NMR relaxation time studies, and carrying out computer modeling
on solid organic matter.
Number of Students: 1
Prerequisites:
Introductory analytical chemistry laboratory background is essential. Physical chemistry is an asset.
15
Dr. Hans Osthoff Office: SB 205
Phone: 403-220-8689
E-mail: hosthoff@ucalgary.ca
Project Title:
DEVELOPMENT OF ANALYTICAL TECHNIQUES FOR MEASUREMENT OF
ATMOSPHERIC TRACE GASES
We are interested in measuring and studying trace gases that negatively impact regional air quality, i.e.,
lead to an increase in O3 and/or particle number densities in the troposphere. Our work focuses on the
development of analytical techniques to measure the abundances of selected trace gases in laboratory
and field experiments. Analytical techniques used in the laboratory include: mass spectrometry, cavity
ring-down spectroscopy, FTIR, GC, and electrophoresis.
Several research projects will become available this coming summer. For a list of available projects,
please contact Dr. Osthoff directly.
Number of students: 1 – 2
Prerequisites: Chem 315 and MOTIVATION.
Any of the following would be a useful asset: Chem 421, Chem 471, Chem 515, basic knowledge of
laser optics, computer programming (Labview), and electronics, and good laboratory skills.
16
Dr. Roland Roesler Office: SB 339
Phone: 403-220-5366
E-mail: roesler@ucalgary.ca
Project Title:
WATER SOLUBLE CARBENE COMPLEXES FOR AQUEOUS CATALYSIS
AND NOBLE METAL PHARMACEUTICALS
N-heterocyclic carbenes (NHCs) are a class of highly successful carbon-based ligands with numerous
applications in coordination chemistry and catalysis. The outstanding ligating ability of carbenes is due
mainly to their σ-donor ability (Lewis basicity) and hence free NHCs are generally unstable in an
aqueous environment, where they spontaneously abstract a proton from water and convert into azolium
ions. Although the vast majority of NHC transition metal complexes are insoluble in water, many of
them are water stable and indeed selected examples of water soluble carbene complexes have been
reported.1
The first project will involve the development of water soluble gold and platinum complexes featuring
NHC ligands such as those depicted below. Complexes of these metals are well-known for their
pharmaceutical applications based on their citostatic or bactericidal action; however, NHC complexes
have not yet been investigated in this respect. Several articles reporting on the bactericidal action of
water soluble silver NHC complexes have been published.1
The second project will investigate the catalytic ability of water soluble NHC complexes with selected
transition metals in water or at the interface between water and organic solvents, aiming at diminishing
the use of organic solvents in industrial applications. Several articles describing the use of palladium
and ruthenium complexes for cross-coupling reactions and olefin metathesis, respectively, have been
published; however, the investigations have been so far limited to these systems.1
Both projects will involve the synthesis of novel NHC precursors (imidazolium ions) using the
extensive experience with such systems available in the group and the methodology specific to
inorganic and organometallic chemistry. The transition metal complexes will be synthesized by direct
methods, circumventing the isolation of the free carbenes, and their properties will be investigated.
1. G. Papini, M. Pellei, G. Gioia Lobbia, A. Burini, C. Santini, Dalton Trans. 2009, 6985-6990 and ref. 17-24 therein.
OH
HO
OH
HO
HO
OH
HO
OH
Number of Students: 2
Prerequisites:
Chemistry 331/333 and enthusiasm.
17
Dr. Dennis Salahub Office: BI 556
Phone: 403-220-3720
E-mail: dennis.salahub@ucalgary.ca
Project Title:
MULTISCALE MODELING IN BIOLOGY OR IN IN-SITU CATALYSIS
Many of todays most interesting and challenging research projects cross the traditional barriers
between the disciplines. My group is associated with two interdisciplinary institutes, the IBI (Institute
for Biocomplexity and Informatics) and ISEEE (Institute for Sustainable Energy, Environment and
Economy).
Within the IBI we are trying to understand transcription and the enzymatic chemistry of RNA
Polymerase, on the one hand, and to understand and predict electron transfer rates in the respiratory
chain, on the other.
Within ISEEE we want to develop computer models that will describe the catalytic hydrotreatment of
the oil sands in an in-situ environment.
All of these projects require the development and application of computer codes that embody multi-
level features, spanning several orders of magnitude in space and in time. A typical problem involves
the quantum chemical treatment of a chemical reaction, with an adequate treatment of the surrounding
environment.
The student will have the opportunity to learn quantum chemistry (Density Functional Theory) and/or
molecular mechanics and molecular dynamics and/or stochastic methods of modeling reaction
networks, all within the context of front-line applications, be they the secrets of life or the route to a
sustainable energy supply.
Number of Students: 1 or 2 (subject to availability of funds)
Prerequisites:
An inquiring mind and good grades. Eligibility for NSERC or other Summer Studentships is a definite
asset.
18
Dr. Y. Shi Office: SB301
Phone: 210-8674
Email: shiy@ucalgary.ca
Project Title:
A Mechanistic Study of Hot Wire Chemical Vapor Deposition Chemistry of Silicon Carbide
Using Laser Ionization Time-of-flight (TOF) Mass Spectrometry
Brief Description:
Chemical species produced from direct decomposition of source gases on the hot filament and from
secondary gas-phase reactions are the major sources of thin film growth precursors in hot wire CVD
(HWCVD). They are particularly important in determining the film growth rate and the film properties.
We will use the efficient laser-based single-photon ionization technique in tandem with TOF mass
spectrometry to perform a systematic study of the product distributions from both the hot wire
decomposition of source gases and secondary reactions as a function of various deposition parameters
such as filament temperature, source gas pressure, composition of source gas mixture, filament
materials and deposition time. The coherent 118 nm VUV laser radiation, the most convenient VUV
wavelength available, will ionize most of the radical intermediates formed in HW-CVD, but without
dissociatively ionizing them to form fragments. The identification using this technique is thus made
simple, since each observed ion in the mass spectrum is likely to correlate directly with a single
corresponding radical. The process of interest is SiCx alloy film deposition.
The work in this project will elucidate the identities of the key gas phase precursors, understand the
behavior of these precursors at different deposition conditions, and aid in providing a molecular
understanding of the fundamental chemistry and physics in HWCVD. The summer student will be
engaged in the project to learn the laser ionization technique and to get a hands-on experience of TOF
mass spectrometer by acquiring and analyze the TOF mass spectra.
Number of students: 1 or 2
Prerequisites: Chemistry 311, 315, 371, 373, with good grades.
19
Dr. George Shimizu Office: SB 403
Phone: 403-220-5347
E-mail: gshimizu@ucalgary.ca
Project Title:
METAL-ORGANIC FRAMEWORKS FOR FUEL CELL MATERIALS
Wide-spread commercialization of proton exchange membrane fuel cells (PEMFCs) for use in vehicles
and portable electronics is presently very costly due to fuel cell inefficiency. The foremost target in this
research area is new ion transporting materials (electrolytes) that can conduct protons above 100 ˚C.
The higher temperature enhances the reaction rates of the electrodes and diminishes poisoning effects
on the catalysts greatly enhancing fuel cell performance. Unfortunately, the vast majority of electrolyte
materials, which are based on polymer materials, rely on water as the proton carrier and so lose
function upon dehydration. Metal-organic frameworks (MOFs) are a class of materials characterized by
having regular arrays of pores on the size scale of single molecules. This proposal concerns the
development of the chemistry of these networks towards energy and new materials applications.
The Shimizu group has found that lining the pores in MOFs with acidic sites can form solids that can
transfer protons both with water and with less volatile molecules as proton carriers. Importantly, these
MOFs can conduct protons at 150 ˚C in the absence of any hydration. Ongoing projects concern
making systematic advances to our first generation MOFs to enhance the proton conduction, operating
temperature ceiling and stability to fuel cell conditions of these materials.
A second major research theme is using MOFs to store gases. MOFs have also shown promise for
storing gases more efficiently than direct compression, major challenges include capturing carbon
dioxide and storing hydrogen for mobile fuel cell applications.
Figure 1. Schematic of a PEM Fuel Cell. Most Figure 2. A new class of electrolyte, a
electrolytes are polymers and function only crystalline MOF which conducts protons
below 80 C when hydrated. at 150 C in the absence of water.
Number of students: up to 2
Prerequisites: Chem 331, 333, 351 and either 353 or 355.
20
Dr. Todd Sutherland Office: SB 220
Phone: 403-220-7559
E-mail: sutherlt@ucalgary.ca
Project Title:
SYNTHESIS OF FIRST GENERATION THIOPHENE DENDRIMERS
Brief description:
The research proposal involves the synthesis of a thiophene-based dendrimer core that will be used to
couple fluorescent and redox active probes. The project begins with the synthesis of tetrathiophene 1
(Scheme 1) following procedures developed in our lab. Subsequently 1 is easily tetrabrominated with
NBS to give 2 as the dendrimer core and 2 branches to several products resulting from either Suzuki or
Sonogashira Pd-cross coupling reactions. The coupled 2–3 product is of interest to create electron rich
dopants because related thiophene derivatives have shown to be good hole-transporters in the solid-
state. In addition, the coupled product may be further brominated, which can lead to higher generation
dendrimers and smaller HOMO-LUMO band gaps. Adducts of 4, 5, 6 and 7 will be synthesized to link
electron rich (2) with electron poor (4, 5, 6, and 7) moieties to create donor-acceptor dyads. There are
examples of donor-acceptor dyads that show promise in organic photovoltaic cells because of their
ability to conduct both holes and electrons.
Number of Students: 1
Prerequisites:
Chem 453 is desirable. Students should be enrolled in the Chemistry Honors or Majors program and
eligibility for NSERC studentships is an advantage.
21
Dr. Venkataraman Thangadurai Office: ES 656E
Phone: 403-210-8649
E-mail: vthangad@ucalgary.ca
Project Title:
DEVELOPMENT OF SOLID ELECTROLYTES FOR APPLICATIONS IN FUEL CELLS
AND GAS SENSORS
Solid electrolytes are ionic conductors and electronically insulators. A wide range of materials are
known to exhibit ionic conduction, including polycrystalline and amorphous inorganic compounds,
composites and organic polymer-inorganic salt mixtures. Current research on solid electrolytes has
drawn much attention because their potential technological applications in solid-state ionic devices,
including solid oxide fuel cells, proton exchange membrane fuel cells, gas sensors, high energy density
rechargeable (secondary) batteries, electrochromic displays and catalysis.
Several research projects in solid electrolytes are available this coming summer. In particularly, the
research will be focused on the design, synthesis and characterization of new oxide ion, and proton
conductors for application to solid oxide fuel cells, proton exchange membrane fuel cells, and gas
sensors (e.g., O2, H2, CO2). The student will employ conventional solid state reaction (ceramic) route,
and soft-chemical method, involving precipitation and polymerization to prepare the solid electrolytes.
Also, various solid state structural and electrochemical characterization techniques that include X-ray
powder diffraction, infrared spectroscopy, impedance spectroscopy, and direct current methods will be
used for structural and electrical characterization.
Number of Students: 2
Prerequisites:
Chemistry 315 or 331/333 or 371 or 535, and MOTIVATION.
22
Dr. Kevin Thurbide Office: SB 219
Phone: 403-220-5370
E-mail: thurbide@ucalgary.ca
Project Title:
SUPERCRITICAL FLUID APPLICATIONS IN ANALYTICAL CHEMISTRY
Research concentrates on aspects of analytical chemistry pertaining to chemical separation and identification.
The main objective of this work is to develop sample preparation, chromatography, and detection methods for
the analysis of trace organic and organometallic compounds present in complex environmental, biological, and
industrial samples.
A central theme of this research is the construction and characterization of novel chromatographic detection
methods. This has primarily encompassed photometric techniques because of their selectivity and sensitivity to
certain target analytes. However, other projects have produced ionization and acoustic based methods, and
further developed widely used detectors. In the past, this has led to the creation of novel analytical devices that
have been used in the analysis of various additives and contaminants in samples from the petroleum and
polymer industries. Current interests in this area surround the development of sensitive and specific multi-
channel detectors for use in gas and supercritical fluid chromatography.
Interests in sample preparation involve the development of rapid and environmentally compatible extraction
methods using sub and supercritical fluids. Past projects include the removal of metal ions and organic
extractives from pulp and paper samples using supercritical carbon dioxide and sub critical solvents. Current
interests in this area are the characterization and application of liquid carbon dioxide and sub critical water as
extraction alternatives to environmentally hazardous organic solvents.
Supercritical Fluid Extraction Apparatus
Inlet Valve
Sample
Chamber
Outlet
Valve
Restrictor
Carbon Dioxide Pump & Heated Collection
Controller Extractor Vessel
Number of students: 1
Prerequisites:
Chem 315, or an instrumental analysis equivalent. Chem 515 is preferred.
23
Dr. Simon Trudel Office: SA 017C / SB 417
Phone: 403-210-7078
Email: trudels@ucalgary.ca
Project Title:
SELF-ASSEMBLY THROUGH “CLICK” CHEMISTRY
In this project, the Huigsens 1,3-dipolar cycloaddition of an azide (N3-R) with an alkyne (HC C-R),
(“click” chemistry) will be used to direct the assembly of NPs onto surfaces. Nanoparticles whose
surface is endowed with azide functional groups will be prepared. Regional formation of alkyne self-
assembled monolayers will be achieved through micro-contact printing. Upon combining N3-
functionalized nanoparticles with HC C-functionalized surfaces, “click” chemistry will be used to
selectively bind the nanoparticles to the surface (see scheme below).
This project involves the synthesis and characterization of nanoparticles, the fabrication of polymeric
stamps for microcontact printing, and the characterization of the assembled nanoparticles using
scanning probe microscopy and electron microscopy.
A variation on the same theme will look into the controlled assembly of N3- and HC C-functionalized
nanoparticles.
Number of students: 1 or 2 (subject to availability of funds)
Enthusiasm and problem-solving skills are an asset. Some background in nanoscience would be an
asset. Students should be enrolled in the Chemistry Honors or Majors program and eligibility for
NSERC studentships is an advantage.
24
Dr. Tom Ziegler Office: SB 333
Phone: 403-220-5368
E-mail: ziegler@ucalgary.ca
Project Title:
SIMULATION OF MOLECULAR ENERGETICS AND DYNAMICS BY MOLECULAR
ORBITAL METHODS BASED ON DENSITY FUNCTIONAL THEORY
The project can involve computational studies on the structure and stability of reactive intermediates as
well as the energy profile for elementary reaction steps. More formal developments of theory or
implementation of new algorithms are also possible subjects. The student will learn to use computers
as a major research tool and gain work experience in the emerging field of molecular modeling.
Number of Students: 1
Prerequisites:
Chemistry 331/333, 351/353 and preferably Chemistry 373. However, students with other
backgrounds will also be considered.
25
FACULTY MEMBERS
T. G. Back Organic Organic synthesis: new methodology and applications to
biologically interesting target compounds.
T. Baumgartner Organic/Inorganic Synthesis of main group element containing molecules for use
in organic electronics (e.g. light-emitting diodes, transistors or
solar cells).
C. Berlinguette Inorganic Synthesis of inorganic molecular clusters for renewable
energy conversion schemes.
V. I. Birss Analytical Kinetics and mechanisms of chemical reactions on electrode
surfaces.
P. D. Clark Organic Chemistry relating to the recovery of sulfur from fossil fuels
and the use of sulfur in the industry.
D. T. Cramb Biophysical/ The applications of nanomaterials to study signal transduction
Nanoscience in organisms. Applications in pain pathways and
nanotoxicology.
J. Gailer Analytical/ Multi-element specific detection of metalloproteins in
Environmental biological fludis by LC-ICP-AES.
B.Heyne Biophysical Photochemistry of green fluorescent proteins. Oxidation of
molecules and proteins biologically relevant.
F. Jalilehvand Physical/Inorganic Sulfur speciation and structure of metal complexes in solution
using X-ray absorption spectroscopy.
B. A. Keay Organic New methods for the synthesis of natural products.
P. Kusalik Physical Molecular simulations of liquids, solids and solutions; studies
of structure and dynamics, crystallization and crystal growth.
C. C. Ling Organic Bioorganic Chemistry: chemical and chemo-enzymatic
synthesis of carbohydrates and their glycoconjugates;
biochemical and immunological studies; molecular modeling.
H. Osthoff Analytical Atmospheric chemistry, cavity ring-down spectroscopy, mass
spectrometry, kinetics of gas-phase reactions, field
measurements, nitrogen oxides and halogens in the
atmosphere.
M. Parvez X-ray Crystallography Crystal and molecular structures of antihistiminic drugs,
Experimental Physical natural products, synthetic intermediates and organometallic
complexes.
R. Paul Theoretical Theoretical study of ion transport in nanopores with
applications to fuel cells.
W. E. Piers Inorganic Electrophilic organometallic compounds: synthesis, reactivity
and applications.
26
R. Roesler Inorganic Synthetic chemistry of the main group elements and their
compounds with transition metals, molecular materials,
inorganic frameworks, sandwich compounds, ligand design,
catalysis.
D.Salahub Theoretical Multiscale modeling of complex systems using quantum
mechanical, molecular mechanical and other methodologies
with applications in systems biology and catalytic reaction
networks.
Y. Shi Physical Kinetics and mechanisms of gas-phase reactions in hot-wire
chemical vapor deposition (HWCVD) of semiconductor thin
films, development of sensitive diagnostic methods for radical
intermediates in HWCVD.
G. Shimizu Inorganic / Materials Self-assembly of inorganic and metal-organic microporous
solids and studies of their ability to store gases for fuel cell
applications.
T. Sutherland Organic/Physical Supramolecular chemistry of photo- and redox- active
assemblies at interfaces.
V. Thangadurai Physical Developments of novel solid electrolytes and electrodes for
applications to fuel cells, sensors and batteries.
K. Thurbide Analytical Aspects of separation, detection and supercritical fluid
applications in analytical chemistry.
S. Trudel Materials / Synthesis and physical characterization of nanostructures. A
Nanoscience strong emphasis is put on magnetic nanostructures
incorporating other useful and functional properties.
T. Ziegler Theoretical Theoretical inorganic chemistry and the development of new
molecular computational methods.
27
EMERITUS PROFESSORS
M. H. Benn Organic Aspects of biologically active natural products.
M. Boorman Inorganic Reactions of organosulfur ligands on molybdenum and
tungsten centres.
T. Chivers Inorganic Inorganic chemistry of main group elements, especially boron,
phosphorus, nitrogen, sulfur, selenium and tellurium
compounds; inorganic polymers; coordination chemistry.
W. G. Laidlaw Theoretical Computer simulation of biological and chemical processes in
pest control for pre- and post-harvest problems.
C. H. Langford Inorganic Binding and migration of metal ions and organics in soils;
photocatalysis as an advanced process for oxidation of
wastes in water; mechanism of inorganic photochemical
reactions.
A. Rauk Theoretical 3-Dimensional structures of molecules and their spectroscopic
and chemical properties.
T. S. Sorensen Organic Stable carbocations; organometallic chemistry of transition
metals; bitumen upgrading.
T. W. Swaddle Inorganic Kinetics and mechanisms of inorganic reactions in solution,
particularly at elevated pressures.
H. Wieser Physical Vibrational and VCD spectroscopy of DNA and synthetic
nucleic acid oligomers, and their interaction with selected
metal ions, drug molecules, and proteins. The use of
pheromones in forest management strategies.
28
FACULTY AND RESEARCH GROUP MEMBERS
Consult the web pages listed below for detailed information on the research interests of Chemistry Faculty
members.
email:
Name Phone Web Page
name@ucalgary.ca
T.G. Back 403-220-6256 tgback http://www.ucalgary.ca/chem/pages/back
T. Baumgartner 403-220-3039 thomas.baumgartner http://www.ucalgary.ca/chem/pages/baumgartner
C. Berlinguette 403-220-3856 cberling http://www.ucalgary.ca/chem/pages/berlinguette
V.I. Birss 403-220-6432 birss http://www.ucalgary.ca/chem/pages/birss
P.D. Clark 403-220-5294 pdclark http://www.ucalgary.ca/chem/pages/clark
D.T. Cramb 403-220-8138 dcramb http://www.ucalgary.ca/chem/pages/cramb
J. Gailer 403-210-8899 jgailer http://www.ucalgary.ca/chem/pages/gailer
B. Heyne 403-210-3887 bjmheyne http://www.ucalgary.ca/chem/pages/heyne
J. Jalilehvand 403-220-3855 faridehj http://www.ucalgary.ca/chem/pages/jalilehvand
B.A. Keay 403-220-5340 keay http://www.ucalgary.ca/chem/pages/keay
P. Kusalik 403-220-6244 pkusalik http://www.ucalgary.ca/chem/pages/kusalik
C.C. Ling 403-220-2768 ccling http://www.ucalgary.ca/chem/pages/ling
H. Osthoff 403-220-8689 hosthoff http://www.ucalgary.ca/chem/pages/osthoff
M. Parvez 403-220-5348 parvez http://www.ucalgary.ca/chem/pages/parvez
R. Paul 403-220-6246 rpaul http://www.ucalgary.ca/chem/pages/paul
W.E. Piers 403-220-5746 wpiers http://www.ucalgary.ca/chem/pages/piers
R. Roesler 403-220-5366 roesler http://www.ucalgary.ca/chem/pages/roesler
Y. Shi 403-210-8674 shiy http://www.ucalgary.ca/chem/pages/shi
D. Salahub 403-220-3720 dennis.salahub http://www.ucalgary.ca/chem/pages/salahub
G. Shimizu 403-220-5347 gshimizu http://www.ucalgary.ca/chem/pages/shimizu
T. Sutherland 403-220-7559 sutherlt http://www.ucalgary.ca/chem/pages/sutherland
V. Thangadurai 403-210-8649 vthangad http://www.ucalgary.ca/chem/pages/thangadurai
K. Thurbide 403-220-5370 thurbide http://www.ucalgary.ca/chem/pages/thurbide
S. Trudel 403-210-7078 trudels http://www.ucalgary.ca/chem/pages/trudel
T. Ziegler 403-220-5368 ziegler http://www.ucalgary.ca/chem/directory/staff
29
EMERITUS PROFESSORS
email:
Name Phone Web Page
name@ucalgary.ca
M.H. Benn 403-220-5352 benn http://www.ucalgary.ca/chem/pages/benn
P.M. Boorman 403-220-8367 mboorman
T. Chivers 403-220-5741 chivers http://www.ucalgary.ca/chem/pages/chivers
W.G. Laidlaw 403-220-8219 laidlaw http://www.ucalgary.ca/chem/pages/laidlaw
C.H. Langford 403-220-3228 chlangfo http://www.ucalgary.ca/chem/pages/langford
A. Rauk 403-220-6247 rauk http://www.ucalgary.ca/chem/pages/rauk
T.S. Sorensen 403-220-5361 sorensen http://www.ucalgary.ca/chem/pages/sorensen
T.W. Swaddle 403-220-5358 swaddle http://www.ucalgary.ca/chem/pages/swaddle
H. Wieser 220-5365 hwieser http://www.ucalgary.ca/chem/pages/wieser
Related docs
