{"id":44,"date":"2017-10-06T12:22:35","date_gmt":"2017-10-06T16:22:35","guid":{"rendered":"http:\/\/chem.sites.mtu.edu\/valenzano\/?page_id=44"},"modified":"2018-09-26T20:45:11","modified_gmt":"2018-09-27T00:45:11","slug":"people","status":"publish","type":"page","link":"https:\/\/chem.sites.mtu.edu\/valenzano\/people\/","title":{"rendered":"People"},"content":{"rendered":"

\"\"<\/p>\n

Dr. Loredana Valenzano (Ph.D.)<\/p>\n

Associate\u00a0Professor of Chemistry<\/p>\n

Chemistry Department<\/p>\n

Michigan Technological University<\/p>\n

1400 Townsend Dr, 49931, Houghton (MI)<\/p>\n

Office: ChemSci 701-A<\/p>\n

Lab: ChemSci 702 & ChemSci 703<\/p>\n

Phone: +1.906.487.1602<\/p>\n

Email: lvalenza at mtu . edu<\/p>\n

\n

Current Group Members<\/strong><\/h3>\n

 <\/p>\n

\"\"<\/p>\n

Gemechis Degaga – Ph.D. Candidate<\/strong><\/span><\/h5>\n

 <\/p>\n

Main project<\/strong><\/p>\n

Porous materials for hydrocarbon separation in petroleum refining processes: energetics, thermodynamics, spectroscopies, and diffusion mechanisms<\/p>\n

 <\/p>\n

Secondary projects<\/strong><\/p>\n

Engineering of exotic metal-oxide surfaces for use in membrane separation technology<\/p>\n

Co-crystallization mechanisms of active pharmaceutical ingredients<\/p>\n

 <\/p>\n

Publications<\/strong><\/p>\n

D. Degaga<\/u><\/span>, L. Valenzano<\/u>*, Part II: Quantum mechanical prediction of heats of adsorption for C2<\/sub>-C4<\/sub> <\/em>hydrocarbons in MOF-74-Mg\/Zn periodic structures, <\/em>2017, Chemical Physics Letters, 682<\/strong>, 168-174<\/a><\/span><\/p>\n

D. Degaga<\/u><\/span>, L. Valenzano<\/u>*, Part I: C2<\/sub>-C4<\/sub> Hydrocarbons Separation Addressed via Molecular Cluster Models Carved Out From Periodic MOF-74-Mg\/Zn Structures<\/em>, 2016, Chemical Physics Letters, 660<\/strong>, 313-319<\/a><\/span><\/p>\n

 <\/p>\n

Most Significant Presentations<\/strong><\/p>\n

Fall 2017 –<\/span> G. Degaga<\/span>, L. Valenzano<\/u>\u00a0\u2013 ACS National Meeting<\/em>, Washington DC\u00a0(Di<\/em>ff<\/em>usion Processes of Small Hydrocarbons in MOF-74-Mg Addressed via CI-NEB Periodic Calculations) \u2013 Poster<\/strong><\/em><\/p>\n

Fall 2017 –<\/span> G. Degaga<\/span>, L. Valenzano<\/u>\u00a0\u2013 ACS National Meeting<\/em>, Washington DC\u00a0(Adsorption and Di<\/em>ff<\/em>usion Mechanisms of C1-C4 Hydrocarbons in MOF-74-Mg\/Zn: A Quantum Chemical Study for Selective Gas Separation Applications in Petroleum Refining Industries)\u00a0 \u2013 Platform<\/strong><\/em><\/p>\n

Spring 2016 –<\/span> G.\u00a0Degaga<\/span>, L. Valenzano<\/u>\u00a0\u2013 Institute for Molecular Engineering: Car-Parrinello Molecular Dynamics, <\/em>Chicago, IL\u00a0(Climbing Image Nudge-Elastic (CI-NEB) Band Study of the Di<\/em>ff<\/em>usion of Small Hydrocarbon molecules in MOF-74-Mg)\u00a0\u2013\u00a0Poster<\/strong><\/em><\/p>\n

Fall 2015 –<\/span> G. Degaga<\/span>, L. Valenzano<\/u>\u00a0\u2013 School in<\/em> Computational Condensed Matter Physics: From Atomistic Simulations to Universal Model Hamiltonians<\/em>, Trieste, Italy\u00a0(Increasing the Selectivity of Small Hydrocarbons: from Nanoporous Materials to the Engineering\u00a0of Metal Oxide Surfaces) \u2013 Poster<\/strong><\/em><\/p>\n

Spring 2013 –<\/span> G. Degaga<\/span>, L. Valenzano<\/u>\u00a0\u2013 ACS National Meeting and Exposition, <\/em>Dallas, TX\u00a0(Adsorption of light hydrocarbons in metal-organic frameworks: Computational study at quantum chemical level)\u00a0\u2013 Platform<\/strong><\/em><\/p>\n

 <\/p>\n

Honors & Awards<\/strong><\/p>\n

Fall 2017 – ACS-COMP Division & ACS-UP Local Section – Travel support<\/p>\n

Spring 2017 – Michigan Tech Chemistry Department – Robert and Kathleen Lane Outstanding Graduate Student Research Award<\/p>\n

Summer 2016 – University of Chicago, Institute of Molecular Engineering – Travel support<\/p>\n

Fall 2015 – ICTP Trieste, Italy – Travel support<\/p>\n

\n

\"\"<\/p>\n

Brian Burtka\u00a0–\u00a0Undergraduate Researcher (Chemistry)<\/strong><\/span><\/h5>\n

 <\/p>\n

Main Project<\/strong><\/p>\n

Engineering of exotic metal-oxide surfaces for use in membrane separation technology<\/p>\n

 <\/p>\n

Presentations<\/strong><\/p>\n

Spring 2017 –<\/span> B. Burtka<\/span>, L. Valenzano<\/u>\u00a0\u2013 MTU Undergraduate Research Symposium<\/em>, Houghton, MI\u00a0(Engineering Metal Oxide Surfaces for Efficient Hydrocarbons Separation: A Quantum Chemical Study) \u2013 Poster<\/strong><\/em><\/p>\n

Spring 2017 –<\/span> B. Burtka<\/span>, L. Valenzano<\/u>\u00a0\u2013 ACS National Meeting<\/em>, San Francisco, CA\u00a0(Engineering Metal Oxide Surfaces for Efficient Hydrocarbons Separation: A Quantum Chemical Study) \u2013 Poster<\/strong><\/em><\/p>\n

 <\/p>\n

Honors & Awards<\/strong><\/p>\n

Spring 2017 – ACS-MTU Student Chapter – Travel Support<\/p>\n

Fall 2016 – Spring 2017 – Michigan Tech’s Pavlis College & Chemistry Department – Research support<\/p>\n

\n

\"\"<\/p>\n

Travis Wigstrom\u00a0–\u00a0Undergraduate Researcher (Chemical Engineering)<\/strong><\/span><\/h5>\n

 <\/p>\n

Projects<\/strong><\/p>\n

Quantum Mechanical Models of Proton Pumps Inhibitor Drugs and their Interaction with Biological Binding Sites<\/p>\n

Electronic Structure of\u00a0Fluorescent Probes for the Detection of Biological Zn(II) Ions in Living Cells (in collaboration with Dr. H. Liu – Chemistry Department, Michigan Tech)<\/p>\n

\n

\"\"<\/p>\n

Grace\u00a0Billman-Benveniste\u00a0–\u00a0Undergraduate Researcher (Chemistry)<\/strong><\/span><\/h5>\n

 <\/p>\n

Project<\/strong><\/p>\n

Effect of\u00a0Molecular Contaminants on the Behavior of Polycarbonate Interfaces Addressed at Quantum Chemical Level<\/p>\n

 <\/p>\n

Honors & Awards<\/strong><\/p>\n

Fall 2017 – Spring 2018 – Michigan Tech’s Pavlis College & Chemistry Department – Research support<\/p>\n

\n

\"\"<\/p>\n

Thomas Waller\u00a0–\u00a0Undergraduate Researcher (Chemistry)<\/strong><\/span><\/h5>\n

 <\/p>\n

Project<\/strong><\/p>\n

Quantum Mechanical Investigation\u00a0of Molecular Membranes for the Treatment of Emerging Soil Contaminants<\/p>\n

\n

Former Group Members<\/h3>\n

 <\/p>\n

\"\"<\/p>\n

Dr. Kapil Adhikari (Postdoc)<\/strong><\/span><\/h5>\n

 <\/p>\n

Publications<\/strong><\/p>\n

K. Adhikari<\/u><\/span>, K.M. Flurchick, L. Valenzano*<\/u>, A Hybrid Density Functional Study on the Effects of Pressure on Paracetamol and Aspirin Polymorphs<\/em>, 2015, Computational and Theoretical Chemistry, 1062<\/strong>, 90-98<\/a><\/span><\/p>\n

K. Adhikari<\/u><\/span>, K.M. Flurchick, L. Valenzano*<\/u>, Volumetric influence on the mechanical behavior of organic solids: The case of aspirin and paracetamol addressed via dispersion corrected DFT<\/em>, 2015, Chem. Phys. Lett., 630<\/strong>, 44-50<\/a><\/span><\/p>\n

K. Adhikari<\/u><\/span>, K.M. Flurchick, L. Valenzano*<\/u>, Effects of Volumetric Expansion in Molecular Crystals: A Quantum Mechanical Investigation on Aspirin and Paracetamol Most Stable Polymorphs<\/em>, 2015, Chem. Phys. Lett., 621<\/strong>, <\/em>Pages 109\u2013116<\/a><\/span><\/p>\n

J. Zhang, M. Yang, W. Mazi, K. Adhikari<\/u><\/span>, M. Fang, F. Xie, L. Valenzano*<\/u>, A. Tiwari, F.-T. Luo, H. Liu, Unusual Fluorescent Responses of Morpholine-functionalized Fluorescent Probes to pH via Manipulation of BODIPY\u2019s HOMO and LUMO Energy Orbitals for Intracellular pH Detection<\/em>, 2015, ACS Sensors, 1<\/strong>, 158-165<\/a><\/span><\/p>\n

 <\/p>\n

Most\u00a0Significant Presentations<\/strong><\/p>\n

Spring 2013 – K.Adhikari<\/span>, L. Valenzano<\/u>\u00a0\u2013 ACS National Meeting and Exposition, <\/em>Dallas, TX\u00a0(Mimicking thermal effects on bulk properties of molecular crystal polymorphs and cleaving their surfaces from first principles)\u00a0\u2013 Platform<\/strong><\/em><\/p>\n

\n

\"\"<\/p>\n

Emily Lilla \u00a0– Undergraduate Researcher (Chemistry)<\/strong><\/span><\/h5>\n

 <\/p>\n

Project<\/strong><\/p>\n

Quantum Mechanical Models of Proton Pumps Inhibitor Drugs and their Interaction with Biological Binding Sites<\/p>\n

 <\/p>\n

Presentations<\/strong>
\nSpring 2017 – Emily Lilla<\/span>, L. Valenzano<\/u>\u00a0\u2013 MTU Undergraduate Research Symposium<\/em>, Houghton, MI\u00a0(Sulfonamide form of omeprazole in interaction with the primary amino acid sites of H+\/K+ ATPase as investigated at electronic structure level) \u2013 Poster<\/strong><\/em><\/p>\n

Spring 2016 – Emily Lilla<\/span>, L. Valenzano<\/u>\u00a0\u2013 MTU Undergraduate Research Symposium<\/em>, Houghton, MI\u00a0(Sulfonamide form of omeprazole in interaction with the primary amino acid sites of H+\/K+ ATPase as investigated at electronic structure level) \u2013\u00a0Poster<\/strong><\/em><\/p>\n

 <\/p>\n

Honors & Awards<\/strong><\/p>\n

Summer 2016\u00a0– Sandretto Summer Research Fellowship – Research support<\/p>\n

\n

 <\/p>\n

Joseph Vermeylen\u00a0(Chemistry & Materials Science)<\/p>\n

Benjamin Updike (Chemical Engineering)<\/p>\n

Peter Winegar\u00a0(Chemistry)<\/p>\n

Angela Small (Physics)<\/p>\n

Matthew Pirkola (Chemical Engineering)<\/p>\n

Jack Vaclavek\u00a0(Chemistry)<\/p>\n

Christopher Stewart\u00a0(Chemistry)<\/p>\n

Kathryn Weinard\u00a0(Chemistry)<\/p>\n

Daniel Beegle\u00a0(Chemistry)<\/p>\n

Andrew Perla (Chemistry)<\/p>\n

Michael Szatkowski (Chemistry)<\/p>\n

Logan Pauli (Physics)<\/p>\n

Izabela Birsanescu (Wayne Community College, Detroit -MI)<\/p>\n

Daniel LaForest\u00a0(Chemical Engineering)<\/p>\n

Modou Gaye (Wayne Community College, Detroit -MI)<\/p>\n

Ethan Weydemeyer (Chemical Engineering)<\/p>\n

Benedict Malec (Physics)<\/p>\n

Andrew Kennedy (Chemistry)<\/p>\n

Nina Tyminska (Ph.D. 2013 – co-advised with Dr. Martha Wloch)<\/p>\n

 <\/p>\n","protected":false},"excerpt":{"rendered":"

Dr. Loredana Valenzano (Ph.D.) Associate\u00a0Professor of Chemistry Chemistry Department Michigan Technological University 1400 Townsend Dr, 49931, Houghton (MI) Office: ChemSci 701-A Lab: ChemSci 702 & ChemSci 703 Phone: +1.906.487.1602 Email: lvalenza at mtu . edu Current Group Members   Gemechis Degaga – Ph.D. Candidate   Main project Porous materials for hydrocarbon separation in petroleum refining processes: energetics, thermodynamics, spectroscopies, and<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-44","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/44","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/comments?post=44"}],"version-history":[{"count":70,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/44\/revisions"}],"predecessor-version":[{"id":420,"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/pages\/44\/revisions\/420"}],"wp:attachment":[{"href":"https:\/\/chem.sites.mtu.edu\/valenzano\/wp-json\/wp\/v2\/media?parent=44"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}