Daniel I. Hădărugă, PhD

Areas of scientific interest

• Research on natural bioactive compounds and bioconjugates

The main research topics in the field are: (1) separation, purifying, and analysis of bioactive compounds such as flavonoids, flavonolignans, essential oils, fatty acids and their glycerides; (2) enzymatic synthesis of new antioxidants/flavonoids-fatty acid bioconjugates, separation and analysis; (3) evaluation of the natural compounds and bioconjugates for their possible biological activity and “dual bioactivity”, respectively. These topics were developed within the national programs PN2 62072 / 2008-2011 and CEEX P-CD-18 / 2005-2007 (both as partner responsible) on Hepatoprotecting nanoparticles with enhanced bioavailability (Nano-HEPAT) and Nanocomposites / nanocrystals with applications in biotechnology, agriculture, food, health, and environmental protection fields (NUSA), respectively.

• Research on cyclodextrin-based nanoparticles and liposomes

The research in supramolecular chemistry field was especially focused on cyclodextrin-based nanoparticles for methods of synthesis, analysis, water behaviour and release mechanisms of flavonoids, flavonolignans, triterpenoids and their fatty acid bioconjugates, essential oils, berberine, chelidonine, nicotine / cyclodextrin complexes, as well as synthesis and analysis of liposomes containing magnetic nanoparticles. These findings were implemented by PN2 41070 / 2007-2010 grant (partner responsible), as well as PN2 62072 / 2008-2011, CEEX P-CD-18 / 2005-2007, and CNCSIS AT 25, Grant No 32940 / 2004-2005 (project leader). All these studies were continued in partnerships with teams from Germany (University of Hohenheim), France (Université du Littoral Cőte d’Opale) and Turkey (Akdeniz University).

• Molecular modeling, QSAR/QSPR and Virtual High Throughput Screening

Cyclodextrin-based supramolecular systems containing flavonoids, flavonolignans, their fatty acid bioconjugates, essential oil components, alkaloids, fatty acid and their glycerides were subjected to theoretical studies involving molecular modeling, docking, quantitative structure-activity/property relationships and biological activity prediction methods. Moreover, I was involved in VHTS studies in collaboration with University of New Mexico School of Medicine, Albuquerque, USA.

Relevant publications (* as main author):

1. Hădărugă, D.I.*; Ünlüsayin, M.; Gruia, A.T.; Birău (Mitroi), C.; Rusu, G.; Hădărugă, N.G., Thermal and oxidative stability of Atlantic salmon oil (Salmo salar) and complexation with β-cyclodextrin, Beilstein Journal of Organic Chemistry 2016, 12, 179-191, doi: 10.3762/bjoc.12.20 (ISI 2.697)
2. Ünlüsayin, M.; Hădărugă, N.G.; Rusu, G.; Gruia, A.T.; Păunescu, V.; Hădărugă, D.I.*, Nano-encapsulation competitiveness of omega-3 fatty acids and correlations of thermal analysis and Karl Fischer water titration for European anchovy (Engraulis encrasicolus) oil / β-cyclodextrin complexes, LWT – Food Science and Technology 2016, 68, 135-144, doi: 10.1016/j.lwt.2015.12.017 (ISI 2.711)
3. Hădărugă, D.I.*; Costescu, C.I.; Corpaş, L.; Hădărugă, N.G.; Isengard, H.-D., Differentiation of rye and wheat flour as well as mixtures by using the kinetics of Karl Fischer water titration, Food Chemistry 2016, 195, 49-55, doi: 10.1016/j.foodchem.2015.08.124 (ISI 4.052)
4. Hădărugă, D.I.*; Hădărugă, N.G.; Costescu, C.I.; David, I.; Gruia, A.T., Thermal and oxidative stability of the Ocimum basilicum essential oil/β-cyclodextrin supramolecular system, Beilstein Journal of Organic Chemistry 2014, 10, 2809-2820, doi: 10.3762/bjoc.10.298 (ISI 2.757)
5. Hădărugă, N.G.; Hădărugă, D.I.*; Isengard, H.-D., “Surface water” and “strong-bonded water” in cyclodextrins: a Karl Fischer titration approach, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2013, 75 (3-4), 297-302, doi: 10.1007/s10847-012-0143-7 (ISI 1.426)
6. Hădărugă, N.G.*; Hădărugă, D.I.*; Isengard, H.-D.*, Water content of natural cyclodextrins and their essential oil complexes: a comparative study between Karl Fischer titration and thermal methods, Food Chemistry 2012, 132(4), 1651-1659, doi: 10.1016/j.foodchem.2011.11.003 (ISI 3.334)
7. Hădărugă, D.I.*; Hădărugă, N.G.; Bandur, G.; Isengard, H.-D., Water content of flavonoid/cyclodextrin nanoparticles: relationship with the structural descriptors of biologically active compounds, Food Chemistry 2012, 132(4), 1741-1748, doi: 10.1016/j.foodchem.2011.06.004 (ISI 334)
8. Hădărugă, D.I.*; Hădărugă, N.G.; Butnaru, G.; Tatu, C.; Gruia, A., Bioactive microparticles (10): Thermal and oxidative stability of nicotine and its complex with β-cyclodextrin, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2010, 68(1), 155-164, doi: 10.1007/s10847-010-9761-0; ISSN 0923-0750 (ISI 1.220)
9. Hădărugă, N.G.; Hădărugă, D.I.*; Păunescu, V.; Tatu, C.; Ordodi, L.; Bandur, G.; Lupea, A.X., Bioactive Nanoparticles (6). Thermal Stability of Linoleic Acid / α‑ and β‑Cyclodextrin Complexes, Food Chemistry 2006, 99(3), 500-508; doi: 10.1016/j.foodchem.2005.08.012 (ISI 2.433)
10. Hădărugă, D.I.*; Mureşan, S.; Bologa, C.; Chiriac, A.; Simon, Z.; Cofar, Luciana; Naray-Szabo, G., QSAR for Cycloaliphatic Alcohols with Quantitatively Defined Sandalwood Odour Characteristics, Struct.-Act. Relat. 1999, 18, 253-261, ISSN 0931-8771 (QSAR & Combinatorial Sciences, ISSN 1611-020X), doi: 10.1002/(SICI)1521-3838(199907)18:3<253::AID-QSAR253>3.0.CO;2-S (ISI 1.803)
11. Clemons, P.A.; Olah, M.; Rad, R.; Ostopovici, L.; Bora, A.; Hădărugă, N.G.; Hădărugă, D.; Moldovan, R.; Fulias, A.; Mracec, M.; Oprea, T.I., WOMBAT and WOMBAT-PK: Bioactivity databases for lead and drug discovery (Expanding the Genetic Code. Chemical Informatics); In: Chemical Biology: From Small Molecules to Systems Biology and Drug Design, Wiley-VCH, New York, 2007, pp. 760-786.

Affiliations

Polytechnic University of Timişoara, Faculty of Industrial Chemistry and Environmental Engineering, Department of Applied Chemistry, Organic and Natural Compounds Engineering, 300006 – Timişoara, Victory Sq. 2, Romania

OncoGen Centre – SCJUPB Timişoara