2006 Graduate Catalog and 2005 Annual R & D Report - Sirindhorn ...

2006 Graduate Catalog and 2005 Annual R & D Report
Sirindhorn International Institute of Technology (SIIT)
Dr. Luckhana Lawtrakul
Assistant Professor
B.Sc. in Chemistry, Kasetsart University, Thailand
M.Sc. in Physical Chemistry, Kasetsart University, Thailand
Dr.rer.nat. in Theoretical Biochemistry, University of Vienna, Austria
Areas of Specialization: Computational Chemistry, Computer-Aided Molecular Modeling and Molecular
Design, Structure-Activity Relationships, Conformational Analysis, Protein-Ligand Interaction.
Research Interest:
Computer-Aided Molecular Modeling and
Molecular Design
Computational quantum chemistry uses theoretical
and computational methods through mathematical
models for describing and understanding the
movement and function of electrons in molecules and
to apply the theoretical methods to significant
problems of broad chemical interest. The research
entails the use of computational methods to develop
novel bioactive compounds that are effective in
therapeutic treatment of various human ailments with
minimal side effects. Two approaches are possible,
indirect design, based on the study of the molecular
determinants of recognition and activation of the
ligands themselves, and direct design, in which the
structure of the target receptor or enzyme (known or
modeled) is employed for the design of ligands with
optimal bioactivity. Currently applications in this area
are of special concern: Molecular Dynamics
Simulations of Mutant Types of HIV-1 Reverse
Transcriptase: Structural Information for Drug
Development.
Dr. Pakorn Opaprakasit
Assistant Professor
B.Sc. (1 st Class Honors) in Science (Chemistry), Chiang Mai University, Thailand.
M.S. in Materials Science and Engineering (Polymer Option), the Pennsylvania State University,
Pennsylvania, USA.
Ph.D. in Materials Science and Engineering, the Pennsylvania State University, Pennsylvania, USA.
Areas of Specialization: Thermal properties and degradation of polylactide, Rapid prototyping of natural
rubber and polylactide, Conventional and two-dimensional FTIR spectroscopy, Structures and properties of
piezoelectric polymers, biocompatible/biodegradable polymers, coal/fossil fuels, and clay minerals.
Research Interests:
Thermal Properties and Degradation of
Polylactide
Polylactic acid or polylactide (PLA) is well known as
biodegradable and biocompatible thermoplastic and
both are of interest in various medical applications.
Their enzymatic degradability and mechanical
properties, which are comparable to those of PE and
PS, have also attracted interest in using these
degradable polymers as packaging materials. Most
importantly, the monomer constituents of these
polymers can be derived from agricultural resources
such as carbohydrates. A racemic crystal structure or
stereocomplex can be achieved by mixing two
polylactides with opposite configurations: poly L-
lactide (L-PLA) and poly D-lactide (D-PLA). This
stereocomplex, in turn, shows a higher melting
temperature than that of its homopolymer counterpart.
Accordingly, stereocomplexes have been used as
potentially high performance biodegradable materials.
Current research is focused on the mechanism and
dynamics of crystallization and degradation
processes of these polylactides and their stereocomplexes.
Conventional and Two-Dimensional FTIR
Spectroscopy
Infrared spectroscopy is a fundamental analytical
technique that is widely used in material
characterization. Recently, an advanced
methodology, two-dimensional infrared spectroscopy
(2D-FTIR) has been developed as a novel data
analysis and presentation technique. This technique
has provided notable advantages over conventional
FTIR. For example, an improvement in band
resolution, simplicity in band assignment, and
determination of relative order of responses of
specific functional groups to external perturbation,
have been achieved. The 2D-FTIR has been applied
to study effects of mechanical and electrical
perturbations on the structural transition of
PVDF/TrFE/CTFE piezoelectric polymer, and to
investigate crystallization of biodegradable polymer,
polylactide.
Structures and Properties of Coal
Coal is formed by an accumulation of various types of
organic precursors, making it a highly heterogeneous
material. Although research on coal has been carried
out for over half a century, several issues remain
unresolved due to its heterogeneous nature. The
nature of the coal network and the existence of the
glass transition temperature (Tg) in coal are among
those controversial issues. The former issue has
been studied by conducting experiments on a
polymeric model that has a similar but less complex
structure. The latter is investigated by employing a
novel polymer blend methodology.
38