Musa Ibrahim El-Barghouthi Professor of Physical Chemistry Chemistry Department, The Hashemite University 150459 Zarqa 13115 Jordan Phone: +(962-5) 3903333 ext. 4518 Email: [email protected] Place & Date of Birth: Kuwait, 1970 Nationality: Jordanian Education Ph.D. Physical Chemistry, University of Jordan, Amman, Jordan, 2000. Thesis Title: "Experimental and Theoretical Modeling of Intermolecular Interactions Governing the Formation of Some Inclusion Complexes in Aqueous Solutions." Advisor: Prof. Mohammad B. Zughul; Co-advisor: Dr. Adnan A. Badwan M.Sc. Chemistry, University of Jordan, Amman, Jordan, 1995 (average: 84.6%, Excellent). Thesis Title: "Quantum Chemical Aspects of Solvation Effects on the Electronic Structure of Molecules. Applications in NMR Spectroscopy." Advisor: Prof. Kais Ibrahim B.Sc. Chemistry, Yarmouk University, Irbid, Jordan, 1992 (average: 84.6%, Excellent). Experience 2013-present: Full Professor, Chemistry Department, The Hashemite University, Zarqa, Jordan 2008- 2013: Associate Professor, Chemistry Department, The Hashemite University, Zarqa, Jordan. Summer 2012: Research visit, Leiden University, Leiden, The Netherlands. 2010-2011: Fulbright Scholar, Stanford University, California, USA. 2002- 2008: Assistant Professor, Chemistry Department, The Hashemite University, Zarqa, Jordan. 2000- 2002: Lecturer, Chemistry Department, The Hashemite University, Zarqa, Jordan. Summer 2010: Research visit, Leiden University, Leiden, The Netherlands. Summer 2007: Research visit, Jacobs University, Bremen, Germany. Summer 2006: Research visit, University of Granada, Granada, Spain. Summer 2005: Research visit, ETH/Zurich, Switzerland Summer 2004: Research visit, Autonoma University, Barcelona, Spain. Summer 2003: Research visit, Queen’s University, Belfast, UK. 1997-1998: Teaching Assistant, Chemistry Department, The Hashemite University, Zarqa, Jordan. 1996: Researcher (R&D), The Jordanian Pharmaceutical Manufacturing Company (JPM), Naor-Jordan. Honors, Awards and Fellowships • • • • • • Fulbright Scholar (2010/2011) The Hisham Hijjawi Award for Applied Sciences (2007) DFG visiting researcher, Jacobs University, Bremen, summer 2007. Research Grants from the Jordanian Pharmaceutical Company to conduct research in ETH/Zurich (2005) and University of Granada (2006). Scholarship from the Hashemite University to continue my Ph.D. at the University of Jordan. Teaching Fellowship, University of Jordan, Amman, Jordan (1992-1995). 1 Research Interests • • • • Molecular dynamics simulation and free energy calculations of molecular complexes. Studying the extent and assessing the modes of solubility enhancement exerted by aqueous cyclodextrins on some water insoluble compounds of pharmaceutical interest Molecular Docking studies of suggested inhibitors of COX-2 enzyme. Removal of organic and inorganic pollutants by natural and synthetic adsorbents. Courses Taught General Chemistry Courses Physical Chemistry Courses Quantum Chemistry (for graduate students) Molecular Spectroscopy Experimental Physical Chemistry Special Topics in Physical Chemistry for graduate students (Computaional Chemistry: Quantum Mechanical Calculations, Molecular Mechanics, Molecular Dynamics and Molecular Docking) Memberships • • • Jordanian Chemical Society American Chemical society A member of different committees in the Chemistry Department and the Faculty of Science at the Hashemite University (Study plans, strategic plans, community service, academic quality assurance, computer and software) Community Service Chairman of the organizing committee of the workshop titled "interaction with the local industries" held at the Hashemite University (2007) Chairman of the community service committee in the Chemistry Department and the Faculty of Science for several years Languages Arabic and English Conferences 1. Molecular Dynamics Simulations and MM-PBSA Calculations of the Cyclodextrin Inclusion Complexes with Some Organic Compounds, El-Barghouthi M. I., Jaime C., Al-Sakhen N. A., Issa A. A., Abdoh A. A., Al Omari M. M., Badwan A. A. and Zughul M. B.14th International Cyclodextrin Symposium, Kyoto, Japan, May 8-11, Published Abstract, 2008. 2. Inclusion Complexation of Ketorolac with α-, β-, γ- and 2-Hydroxypropyl-β-Cyclodextrins, Phase Solubility, Proton NMR and molecular Modeling Studies, Abdoh A. A., El-Barghouthi M. I., Zughul M.B. and Badwan A. A. “14th International Cyclodextrin Symposium, Kyoto, Japan, May 8-11, Published Abstract, 2008. 3. Comparison of Estimates of Free Energy For Binding of Mono- and Di-Substituted Benzenes with αCyclodextrin Obtained By Single-Step Perturbation and Thermodynamic Integration, El-Barghouthi M. I., Schenk M., Zughul M. B., Badwan A. A. and. van Gunsteren W. F. 13th International Cyclodextrin Symposium, Torino, Italy, May 14-17, Published Abstract, 2006. 4. Molecular Dynamics and Free Energy Perturbation Studies on Inclusion Complexes of Some Structurally Related Compounds with β-Cyclodextrin, Akeelh R. E., El-Barghouthi M. I., Masoud N. A., Abdoh A. A., Al Omari M. M., Jaime C., Zughul M. B. and Badwan A. A. 13th International Cyclodextrin Symposium, Torino, Italy, May 14-17, Published Abstract, 2006. 2 5. Trends in the Complexation of Alkyl Benzoates and Alkyl p-Hydroxy Benzoates with β-Cyclodextrin in Aqueous Solution, El-Barghouthi M. I., Zughul M. B. and Badwan A. A., 13th International Cyclodextrin Symposium, Torino, Italy, May 14-17, Published Abstract, 2006. 6. Inclusion Complexation of Loratadine with Natural and Modified Cyclodextrins: Phase Solubility and Thermodynamic Studies, Omar L., El-Barghouthi M. I., Masoud N. A., Abdoh A. A., Al omari M. M., Zughul M. B. and Badwan A. A., 13th International Cyclodextrin Symposium, Torino, Italy, May 14-17, Published Abstract, 2006. 7. Combining Molecular Docking Simulations and Comparative Molecular Field Analysis to Probe Drug-βCyclodextrin Inclusion Complexes, Zughul, M. B., Taha M. O., Al Omari M. M., El-Barghouthi M. I., Abdo A. A., Al sou'od K. and Badwan A. A. 13th International Cyclodextrin Symposium, Torino, Italy, May 14-17, Published Abstract, 2006. 8. Trends in the Complexation of Organic Molecules Bearing two Peripheral Benzene Rings with Aqueous β-Cyclodextrin, El-Barghouthi, M. I., Al-Sou’od, K. A., Zughul, M. B. and Badwan, A. A. 12th International Cyclodextrin Symposium, Montpellier, France, May 16-19, Published Abstract, 2004. 9. Inclusion Complex Thermodynamics of Risperidone with Natural and Modified Cyclodextrins, ElBarghouthi, M. I., Masoud, N., Al-Kafawein, J, Zughul, M. B. and Badwan, A. A “12th International Cyclodextrin Symposium, Montpellier, France, May 16-19, Published Abstract, 2004. 10. Experimental and Molecular Mechanical Studies of Complexation of Some 2H- and 3H- Indole derivatives with β-Cyclodextrins, Al-Sou’od, K. A., El-Barghouthi M. I., M, Zughul, M. B. and Badwan, A. A 12th International Cyclodextrin Symposium, Montpellier, France, May 16-19, Published Abstract, 2004. 11. Application of Percolation Theory on Compacts Utilized in Pharmaceutical Dosage forms, Eftatha, A. F. th Remawi, M., El-Barghouthi M. I. and Badwan A. A. 6 Jordanian Chemical Conference, The Hashemite University. December 12, Published Abstract, 2005. 12. Thermal Degradation of Para-Substituted Poly Styrenes in Solid Films and in Solutions, Alani K., Elth Barghouthi M. I., Al-Buzzour M.A. A. 6 Jordanian Chemical Conference, The Hashemite University. December 12, Published Abstract, 2005. 13. A Study Utilizing Percolation Theory: Mechanical Properties and Release Behavior of a Controlled th Release System, Eftatha, A. F., Remawi, M., El-Barghouthi M. I. and Badwan A. A. 6 First Chemical Scientific Day, Mu’tah University, Jordan. April 26, Published Abstract, 2006. 14. The Application of Percolation Theory on Binary Mixtures of Chitosan and Xanthan Gum, Eftatha, A. F., Remawi, M., El-Barghouthi M. I., Rashid, I. S. and Badwan A. Jordan International Pharmaceutical Conference, Al-Zaytoonah University, Faculty of Pharmacy, Amman-Jordan. 15-17 November, Published Abstract, 2006. 15. Molecular Dynamics Study of the Binding Affinity of Cucurbit[7]uril and β-Cyclodextrin Toward Cationic and Neutral Guest Molecules, K. Assaf, A. Rawashdeh, M.I. El-Barghouthi, The Fifth Jordanian International Conference of Chemistry, Chemistry Department Yarmouk University, Irbid, Jordan, 17-19 June, Published Abstract, 2008. 16. Syntheses, Crystallography and Spectroelectrochemical Studies of Ruthenium Azomethine Complexes, Mousa Al-Noaimi, Haytham Saadeh, Salim F. Haddad, M. I. El-Barghouthi, Mohammad El-Khateeb and Robert J. Crutchley, The Fifth Jordanian International Conference of Chemistry, Chemistry Department Yarmouk University, Irbid, Jordan, 17-19 June, Published Abstract, 2008. 17. Synthesis, Characterization and DFT Calculation of Ruthenium (II) Azoimine-Diphosphine Mixed-Ligand Complexes, Mousa Al-Noaimi, M. I. El-Barghouthi, Mohammad El-Khateeb, Obada S. Abdel-Rahman, Helmar Görls and Robert J. Crutchley, The Fifth Jordanian International Conference of Chemistry, Chemistry Department Yarmouk University, Irbid, Jordan, 17-19 June, Published Abstract, 2008. 18. Dynamics of Viologen-Cucurbituril Complexes in Aqueous Solution, K. Assaf, A. Rawashdeh, M.I. Elth Barghouthi, The 9 Jordanian Chemical Conference, The Hashemite University, Zarqa, Jordan, 28 April, Published Abstract, 2009. Supervision of M.Sc. Theses 1. Theoretical Study of the Inclusion Complexes of Benzimidazole Based Drug molecules with cucurbit[7]uril. Al-Albdullah S., 2016 2. Molecular dynamics simulation of cucurbituril based molecular switches. Dergham L., 2015 3. A molecular dynamics simulation study of the structural features and inclusion capacity of cucurbit[6]uril derivatives in aqueous solutions. Ibrahim F. 2010. 4. The effect of derivatisation of phenol with 4-amino-antipyrine on their selective pre concentration from aqueous medium using molecularly imprinted polymer. Qussi R. 2009 (Co-supervisor). 5. Synthesis, characterization and DFT calculations of Ruthenium(II) Azoimine-Diphosphine MixedLigand Complexes. Subhi O. 2009 (Co-supervisor). 6. Synthesis and molecular dynamics simulation of putative inhibitors for the n terminal domain of human soluble epoxide hydrolase, Ghandour A. 2009. 3 7. Molecular dynamics simulation of cucurbiturils and their inclusion complexes in aqueous solutions, Assaf K. 2009. 8. . Applying molecular dynamics simulations based on the continuum solvation models for the prediction of free energy of cyclodextrin inclusions complexes, AL-Sakhen N. 2007. 9. Molecular dynamics and free energy perturbation studies on β-cyclodextrin inclusion complexes with some organic molecules, Akeelh R. E. 2007. 10. Application of percolation theory on compacts utilized in pharmaceutical dosage forms, Eftatha, A. F. 2006. 11. Study on the Inclusion complexes of water insoluble drugs with natural and modified cyclodextrins, Omar L. 2006 12. Thermal degradation of plasticized poly (para substituted styrene) in solid films and in solutions, AlBuzzour M. 2005, (Co-supervisor). 13. Solubility enhancement of some water-insoluble drugs by complexation with polysaccharides. an experimental and theoretical study. Al-Kafawein J. 2004. Publications 1. Al-Hourani B, Al-Awaida W, Matalka K., El-Barghouthi M. I., Alsoubani F. and Wuest F. Structure– activity relationship of novel series of 1,5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular docking studies, Bioorganic & Medicinal Chemistry Letters, 26, 4757-4762. 2. Al-Hourani B, El-Barghouthi M. I., Mcdonald R, Al-Awaida W, Sharma S, Wuest F., Synthesis and crystal structure of N-[(dimethylamino)methylidene]-4[1-(4-nitrophenyl)-1H-tetrazol-5-yl]benzenesulfonamide: Molecular docking and bioassay studies as cyclooxygenase-2 inhibitor, Journal of Molecular Structure 1119, 220-226 (2016) 3. Malhis L. D., Bodoor K., Assaf K. I., Al-Sakhen N., El-Barghouthi M. I., Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changes, Computational and Theoretical Chemistry, 1066, 104-112 (2015). 4. El-Barghouthi M. I., Abdel-Halim H. M., Haj-Ibrahima F. J. Bodoor K., Assaf K., Molecular Dynamics of Nor-Seco-Cucurbit[10]uril Complexes, Journal of Inclusion Phenomena and Macrocyclic Chemistry (2015). 5. El-Barghouthi M. I., Abdel-Halim H. M., Haj-Ibrahima F. J. & Assaf K. Molecular dynamics simulation study of the structural features and inclusion capacities of cucurbit[6]uril derivatives in aqueous solutions, Supramolecular Chemistry, 27, 80-89 (2015). 6. Al-Hourani B, El-Barghouthi M. I., Mcdonald R, Al-Awaida W, Wuest F. Docking studies and the crystal structure of two tetrazole derivatives: 5-(4-chlorophenyl)-1-{4-(methylsulfonyl)phenyl}-1H-tetrazole and 4{5-(4-methoxyphenyl)-1H-tetrazol-1-yl}benzenesulfonamide, Journal of Molecular Structure 1101, 21-27 (2015) 7. Ibrahim M., Ali B.F., El-Barghouthi M. I., Zaghal M. & Frey W. Crystal, Molecular Structure and DFT Study of 2,6,7-Trimethyl-3-p- tolylquinoxaline and 2-(4- Methoxyphenyl)-3,6,7- trimethylquinoxaline, Journal of Chemical Crystallography, 45, 319-329 (2015) 8. Abu-Safieh K. A, Khanfar M. A., El-Barghouthi M. I., Ali, B. F., Molecular Structure and Density Functional Theory Calculations of 3-(3-Nitrothien-2-yl)indole: Structural and Vibrational Analysis, Journal of Chemical Crystallography, 44, 330-336 (2014) 9. Wong DB, Sokolowsky KP, El-Barghouthi M. I., Fenn EE, Giammanco CH, Sturlaugson AL, Fayer MD., Water Dynamics in Water/DMSO Binary Mixtures, J Phys Chem B. 116 (18), 5479–5490 (2012). 10. Al-Noaimi M., El-Barghouthi M.I., Haddad S. F., Rawashdeh A. M., Abdel-Rahman O.S, X-Ray Structure and DFT Study of neutral Mixed Phosphine Azoimine complexes of Ruthenium, Polyhedron, 30, 1884–1890 (2011). 11. El-Barghouthi M. I., Assaf K. I., Rawashdeh A. M., Molecular Dynamics of Methyl ViologenCucurbit[n]uril Complexes in Aqueous Solution, J. of Chemical Theory and Computations, 6, 984-992 (2010) 12. El-Barghouthi M. I., Saleh A. I., Ghandour A., Ghanem R., Zacharias M., Examining the potency of suggested inhibitors for the phosphatase activity of the human soluble epoxide hydrolase by molecular dynamics simulations, J. of Molecular Structure (Theochem), 944, 97-104 (2010). 4 13. Al Omari M. M., El-Barghouthi M.I., Zughul M.B.,DaviesJ.E.D, BadwanA. A., The role of drug hydrophobicity in β-cyclodextrin complexes, J. Molecular Liquid, 155, 103-108 (2010). 14. El-Sheikh A.H., Al-Quse R.W., El-Barghouthi M.I. and Al-Masri F.S. Derivatization of 2-chlorophenol with 4-amino-anti-pyrine: A novel method for improving the selectivity of molecularly imprinted solid phase extraction of 2-chlorophenol from water, Talanta, 83, 667–673 (2010). 15. Rawashdeh A. M., El-Barghouthi M. I., Assaf K. I., Al-Gharabli S. I.,complexation of n-methyl-4-(pmethyl benzoyl)- pyridinium methyl cation and its neutral analogue by cucurbit[7]uril and β-cyclodextrin. a computational study, Journal of Inclusion Phenomena & Macrocyclic Chemistry, 64, 357-365 (2009). 16. Al omari M. M., Daraghmeh N. D., El-Barghouthi M. I., M. B. Zughul, Chowdhry B. Z., Leharne S. A. and Badwan A. A., Novel inclusion complex of ibuprofen tromethamine with cyclodextrin, Journal of Pharmaceutical and Biomedical Analysis, 50, 449-458 (2009) 17. Al Omari M. M., El-Barghouthi M. I., Zughul M. B., Davies J. E. and Badwan A. A., Dipyridamole/βcyclodextrin complex: buffer species effect on stability constants, thermodynamics, and guest-host 1 interactions probed by H-NMR and molecular modeling studies, Journal of Inclusion Phenomena & Macrocyclic Chemistry, 64, 305-315 (2009). 18. Eftaiha E. F., El-Barghouthi M. I., Rashid I. S., Al-Remawi M. M., Saleh A. I., and Badwan A. A., Compressibility and compactibility studies of chitosan, xanthan gum and their mixtures, Journal of Material Science, 44, 1054-1062 (2009) 19. El-Barghouthi M. I., Jaime C., Akielah R. E., Al-Sakhen N. A., Masoud N. A., Issa A. A., Badwan A. A. and Zughul M. B.,. Free energy perturbation and MM/PBSA studies on inclusion complexes of some structurally related compounds with β-cyclodextrin, Supramolecular Chemistry, 21, 603-610. 20. El-Barghouthi M. I., Jaime C., Al-Sakhen N. A., Issa A. A., Abdoh A. A., Al Omari M. M., Badwan a. A. and Zughul.M. B., Molecular dynamics simulations and mm-pbsa calculations of the cyclodextrin inclusion complexes with 1-alkanols, para substituted phenols and substituted imidazoles. Journal of Molecular Structure (THEOCHEM), 853, 45-52 (2008). 21. Al Omari M. M., El-Barghouthi M. I., Zughul M. B., Davies J. D. E. and Badwan A. A., Comparative study of the inclusion complexation of pizotifen and ketotifen with native and hydroxypropyl βcyclodextrins, Journal of Solution Chemistry, 37, 249-264 (2008). 22. El-Barghouthi M. I., Rashid I., Eftaiha A., Al-Remawi M., Badwan A., A novel superdisintegrating agent made from physically modified chitosan with silicon dioxide, Drug Development & Industrial Pharmacy, 34, 3737-383 (2008). 23. Al-Noaimi M. Z., El-Barghouthi M. I., El-khateeb M., Subhi O., Görls H. Crutchley R. J., Synthesis, characterization of ruthenium(ii) azoimine-diphosphine mixed-ligand complexes, Polyhedron, 27 26982704 (2008). 24. Al-Degs Y. S, El-Barghouthi M. I., El-Sheikh A. H. and Walker G., Effect of solution pH, ionic strength, and temperature on adsorption behavior of reactive dyes on activated carbon, Dyes and pigments, 77, 16-23 (2008). 25. El-Barghouthi M. I., El-Sheikh A. H., Al-Degs Y. S., Walker G. M., Adsorption behavior of anionic reactive dyes on h-type activated carbon: competitive adsorption and desorption studies, Separation Science and Technology, 42, 2195-2220 (2007) 26. Al-Noaimi M. Z., Saadeh H., Haddad S. F., El-Barghouthi M. I., El-khateeb M., Crutchley R. J., Syntheses, crystallography and spectroelectrochemical studies of ruthenium azomethine complexes, Polyhedron, 26, 3675-3685 (2007). 27. Omar L., El-Barghouthi M. I., Masoud N., Abdoh A. A., Al Omari M., Zughul M. B. and Badwan A. A., Inclusion complexation of loratadine with natural and modified cyclodextrins: phase solubility and thermodynamic studies, Journal of Solution Chemistry, 36, 605-616 (2007). 28. El-Barghouthi M. I., Schenk M., Zughul M. B., Badwan A. A. and. van Gunsteren W. F., Comparison of estimates of free energy for binding of mono- and di-substituted benzenes with α-cyclodextrin obtained by single-step perturbation and thermodynamic integration” Journal of Inclusion Phenomena & Macrocyclic Chemistry, 57, 375-377 (2007). 29. Abdoh, A. A., El-Barghouthi M. I., Zughul M. B., and Badwan A. A., Changes in conformational structure, microscopic and macroscopic pkas of meloxicam on complexation with natural and modified cyclodextrins, Pharmazie, 62, 55-59 (2007). 5 30. El-Barghouthi M. I., Masoud N., Al-Kafawein J. and Abdoh A. A., Inclusion complexation of itraconazole with β- and 2-hydroxypropyl-β-cyclodextrins in aqueous solutions, Russian Journal of Physical Chemistry, 80, 1050-1055 (2006). 31. Alani K., El-Barghouthi M. I., Al-Buzzour M., Effect of polymeric additives on thermal degradation of para subsituted polystyrenes in solution, polymer degradation and stability, 91, 3252-3258 (2006). 32. Al-Degs Y., El-Barghouthi M. I., Issa A. A., Khraisheh M., Walker G., Adsorption of zn(ii), pb(ii), and co(ii) using natural sorbents: equilibrium and kinetic studies” Water research, 40, 2645-2658 (2006). 33. El-Barghouthi, M. I., Masoud N., Al-Kafawein J, Zughul M. B. and Badwan A. A., Host-guest interactions of risperidone with natural and modified cyclodextrin: phase solubility, thermodynamics and molecular modeling studies, Journal of Inclusion Phenomena & Macrocyclic Chemistry 53, 15-22 (2005). 34. Al-Degs Y., El-Barghouthi M. I., Khraisheh M., Ahmad M., and Allen S., Effect of surface area, micropores, secondary micropores and mesopores volumes of activated carbons on reactive dyes adsorption from solution, Separation Science and Technology, 39, 97-111 (2004). 35. El-Barghouthi M. I. and Al-Degs Y. "Interactions of Some Organic Compounds with α-, β- and γCyclodextrins. A Molecular Mechanics Study", Asian Journal of Chemistry, 16, 207-212 (2004). 36. El-Barghouthi M. I. and Al-Degs Y. S., Molecular mechanics calculations of inclusion complexes of phenol and benzoic acid with β-cyclodextrin using mm and amber force fields” Oriental Journal Chemistry, 19, 293-300 (2003). 37. Al-Degs Y., El-Barghouthi M. I. and Khraisheh, M., Adsorption of Anionic Reactive Dyes from Solution by Activated Carbon: Effect of Solution pH, Asian Journal Chemistry. 15, 891-896 (2003). Submitted Manuscripts 1. Effect of protonation states and N-acetylation of chitosan on the interaction with xanthan gum: a molecular dynamics simulation study, submitted to Carbohydrate Polymers 2. Effect of pH and α-, β-, and γ-cyclodextrin on the spectral properties of etoricoxib: spectroscopic and molecular Dynamics Study, submitted to Journal of Inclusion Phenomena & Macrocyclic Chemistry References Prof. Mohammad B. Zughul (Retired) Chemistry Department, University of Jordan Amman 11942 Jordan Email: [email protected] Dr. Adnan Badwan CEO The Jordanian Pharmaceutical Manufacturing Company (PLC), Research and Innovation Centre, P.O. Box 94, Naor 11710, Jordan. Phone: +(962-6) 5727207 Email: [email protected] Prof. Carlos Jaime Department of Chemistry, Faculty of Science, Autonoma University 08193 Bellaterra (Barcelona) Spain, Phone: +34 935812591 Fax: +(34-9) 35811265 Email: [email protected] Prof. 6
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