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Project(s): Physico-Chemical Properties, Polymorphism, Surfaces, Behavior under Pressure of Active Pharmaceutical IngredientsPersonnel: Dr. Kapil Adhikari (PhD, Postdoc)
Description: Molecular crystals can manifest into extremely different mechanical and energetic properties at different volumes corresponding to different temperature or external pressure. The project looks into structural, electronic, and mechanical properties of different crystalline polymorphs of active pharmaceutical ingredients (API). In particular, those measurable physico-chemical properties are investigated which are directly related to the nature of inter-molecular forces. The goal of this project is to understand the nature of intermolecular interaction in the crystal structure of API crystals with respect to thermal expansion or when subjected to external pressure. A detail investigation to understand the relative stability with respect to different polymorphic forms of APIs is currently under progress. Also, the surface properties of the APIs are being investigated. Such study can enable to reveal the nature of APIs in respect to a real world scenarios to provide deeper insights including, but not limited to, the improvement of tableting industrial procedure and longevity of the materials with direct consequences on their in vivo absorption potential.
Publications/Presentations:
- Oral Presentation, ACS National Meeting, Dallas (TX), March 2014.
- K. Adhikari, K. Flurchick, L. Valenzano*, Mimicking Thermal Effects in Molecular Crystals: A Quantum Mechanical Investigation on Aspirin and Paracetamol Most Stable Polymorphs, 2014, submitted.
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Project(s): Metal-Organic Frameworks for Catalytic Applications and Petroleum Refining Processes
Personnel: Mr. Gemechis Degaga (MS, PhD Student)
Description:
Publications/Presentations:
- Oral Presentation, ACS National Meeting, Dallas (TX), March 2014.
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014.
- Poster Presentation, MTU Graduate Research Colloquium, Houghton (MI), February 2014.
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Project(s): Structure(s) and Properties of E. Coli's Peptidoglycan Cell Wall
Personnel: Mr. Daniel Beegle (Undergraduate Research Student, Chemistry)
Description:
Publications/Presentations:
- Oral Presentation, ACS National Meeting, Dallas (TX), March 2014.
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014: Awarded (second place) as best undergraduate poster.
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Project(s): Action of a Broad Spectrum Antiviral Medication against Human Herpes, DNA Intercalated Drugs, Enegetic Materials
Personnel: Mr. Andrew Perla (Undergraduate Research Student, Chemistry), Mr. Michael Szatkowski (Undergraduate Research Student, Chemistry/Chemical Engineering)
Description: Drug developers have recently discovered a drug that has shown to be active against 6 out of 8 types of herpes virus that effect humans. This is a drastic step up from the 1 to 2 types most drugs currently on the market are effective against. But in order to fully understand how the drug works and how to possibly make the drug better it is crucial for researchers to know the mechanism of action, or how the drug interacts with the body. The goal of this project is to determine where and how, in the body, the drug interacts with. Gaining such information would allow drug developers to improve the drug by changing its functionality and thus increasing the binding efficiency when in interaction with its targets. In the case of this particular drug we are looking at its potential interactions with DNA with the objective of determining if such intercalation mechanism is plausible. If so, functionalizations will be explored which may increase the binding energy with DNA improving the effectiveness of the drug.
Publications/Presentations:
- Oral Presentation, ACS National Meeting, Dallas (TX), March 2014.
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014.
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Project(s): Encapsulation of Molecules into Fullerene Cages
Personnel: Mr. Christopher Stewart (Undergraduate Research Student, Chemistry)
Description:
Publications/Presentations:
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014.
- Poster Presentation, MTU Undergraduate EXPO, Houghton (MI), March 2014.
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Project(s): Acetylcholinestarase Inhibition by Aricept Analogs in Decrease Memory Loss in Alzheimer's Patients
Personnel: Miss Kathryn Weinand (Undergraduate Research Student, Chemistry)
Description:
Publications/Presentations:
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014.
- Poster Presentation, MTU Undergraduate EXPO, Houghton (MI), March 2014.
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Project(s): Molecular Dynamics on Proteins
Personnel: Mr. Michael Szatkowski (Undergraduate Research Student, Chemistry/Chemical Engineering)
Description:
Publications/Presentations:
Support: Valenzano's Startup Allocation
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Project(s): Physico-Chemical Properties of Energetic Materials and Co-Crystal(s)
Personnel: Mr. Matthew Pirkola (Undergraduate Research Student, Chemical Engineering), Mr. Michael Szatkowski (Undergraduate Research Student, Chemistry/Chemical Engineering), Mr. Andrew Perla (Undergraduate Research Student, Chemistry)
Description:
Publications/Presentations:
- Poster Presentation, ACS Student Research Symposium, Marquette (MI), March 2014.
- Poster Presentation, MSGC-NASA Annual Meeting, Ann Arbor (MI), November 2013.
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