
Professor
Susan Jansen-Varnum Research Interests
Analysis
of Pharmaceuticals and Medical Devices
Combination
drugs, chiral drugs and drug degradation all required
sophisticated analytical assays. Combination drugs
contain two or more active species, the active
species are typically imported from large manufacturing
facilities and need purity assays for qualifications.
Preservatives, flavorings and other inactive components
are included in the formulation. Assays must identify
and quantify all species regardless of chemical
nature, quantity and complexity. These can be
challenging endeavors. Many active pharmaceuticals
are chiral compounds. However, drug substances
can be distributed as racemic mixtures or pure
enantiomers. In either case, assays must be developed
that discriminated and quantify the enantiomeric
distribution accurately.
Orthopedic
materials are used in many applications including
vertebraplasty, kyphoplasty, craniaplasty and
screw augmentation. To qualify materials for use
formulation assays, analysis of leachables and
cytotoxicity must be performed. In almost all
cases HPLC and LC-MS is used to identify all species
in bone cements, scaffolding devices and bone
implant materials.
The
Role of Humic Acid in the Environment
Humic
substances (HS) are essential but incompletely
understood sorptive and metal binding biopolymers
in animals, plants, soils and sediments. HS continue
to be intensively studied because of their environmental
importance. HS have important physiological properties,
many of which are attributed to their sorptive
properties. HA can bind heavy metals in vivo,
reducing toxicity. Polyaromatic hydrocarbons,
pesticides and viral particles adsorb on HS surfaces.
Heparin-like activity has been identified for
soil derived HA. HA is therapeutic against goiter
and uterine cancer in laboratory animals, suggesting
similar receptor binding characteristics. HA is
found in and near lung tumors in coal miners and
smokers suggesting a possible link between HA
and tumorogenesis.
Our studies on HA show that HA is a powerful reductant
and an excellent chelating agent. The combination
of these effects creates a chemical systems that
can activate transition metals. For example ferric
iron is chelated and reduced to ferrous iron.
The ferrous iron in the HA matrix can then participate
in a variety of Fenton chemistries. The effects
are similar for copper and a variety of transition
metals. This reductive chelation provides for
a variety of important reaction chemistries.
DMPO-OH
adduct

DMPO-OH,
optimized at B3LYP/6-31G(d'). White spheres
are the hydrogen atoms, cyan spheres are
carbon atoms, red spheres are the oxygen
atoms, and blue sphere is the nitrogen
atom.
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DEPMPO-OH
adduct, syn

DEPMPO-OH,
syn, optimized at B3LYP/6-31G(d'). Yellow
sphere is the phosphorus atom, cyan spheres
are carbon atoms, red spheres are the
oxygen atoms, and blue sphere is the nitrogen
atom. Hydrogen atoms have been omitted
for clarity, except the hydrogen that
came from the hydroxyl radical, which
is white.
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DEPMPO-OH
adduct, anti

DEPMPO-OH,
anti, optimized at B3LYP/6-31G(d'). Yellow
sphere is the phosphorus atom, cyan spheres
are carbon atoms, red spheres are the
oxygen atoms, and blue sphere is the nitrogen
atom. Hydrogen atoms have been omitted
for clarity, except from the hydrogen
from the hydroxyl radical, which is white.
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TNB
(Temple-Northeastern-Birmingham) Model
of Humic Acid

Hexamer
of Humic Acid, optimized by MM3, showing
condensed saccharide (in this case, alginic
acid), projecting to the left. Notice
the central, oval-shaped cavity to the
right. Carbon atoms are cyan, oxygen atoms
are red, and nitrogen atoms are dark bl
ue. Hydrogen atoms have been omitted for
clarity.
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Electronic
Materials: PAni, Keggin Ions and Li-Batteries
New materials have been developed for lithium
batteries to improve the performance of batteries.
In the market, the common materials for cathode
of batteries are Li(1-x)NiO2, Li(1-x)CoO2, Li(1-x)Mn2O4.
These materials have ability of intercalate and
deintercalate rapidly and reversibly into the
cathode during repeated discharge and charge cycles
when Li+ ions released from the anode into the
electrolyte solution. Many studies indicated that
V2O5 xerogel films is the best of efficient and
reversible insertion of Li+ ion at high potentials
compare to Li, thus resulting in high specific
capacity and energy density. The advantage of
this material is very easy to synthesis. However,
this material has a low electronic conductivity,
a relatively low Li+ diffusion coefficient within
the host matrix, and capacity fade during repeat
charge and discharge cycles because of irreversible
structural changes induced by redox cycling. Some
experiments found that doping vanadium oxide xerogels
with silver, the electronic conductivity increased.
In fact, 0.1 mole of silver per mole of V2O5 with
intermediate doping levels, the conductivity was
enhanced by a factor of 80 without any significant
change in the host layered structure. Other experiments
have shown that added a conducting polymers increases
conductivity. A tenfold enhanced diffusion coefficient
for Li+ in polyaniline (PANI) mixed with V2O5
has been reported. The advantages of PANI are
environmental stability, controllable electrical
conductivity, and easy process ability. PANI may
also have applications for Li ion rechangeable
battery, electrode of light emitting diode, corrosion
protection, RF and microwave absorber and antistatic
materials. Polyaniline also can increase porosity,
surface area and Li+ adsorption capacity, so the
consequence is increasing the ability of lithium
intercalation for a new type composite carbonaceous
anode electrode, if composite carbonaceous electrode
fabricate with ceramic and polyaniline fillers.
Our work uses a oligomer of PAni which offers
the high conductivity necessary without the processing
issues associated with the polymeric form.
Vanadium-Substituted
Keggin Ion

Molecular
structure of H5V2Mo10O40 from crystallography.
Phosphorus atom is white, oxygen atoms
are red, molybdenum atoms are blue, vanadium
atoms are yellow. Hyd rogen atoms have
been omitted for clarity
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syn
- N, N'-bis(4'aminophenyl)-1,4-quinonediimine,
optimized at B3LYP/6-31G. Hydrogen atoms
are white, carbon atoms are cyan, and
nitrogen atoms are blue.
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Jansen-Varnum
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