Radu Silaghi-Dumitrescu

 

 

SMALL MOLECULE ACTIVATION BY metalloproteins and related systems. REDOX PROCESSSES, METALLODRUGS, NATURAL EXTRACTS

 

 

Our research interests are centered around small molecule activation at biological metal centers. We typically employ methods such as UV-vis, EPR, stopped-flow, freeze-quench, molecular biology, protein overexpression and purification, as well as molecular modelling (DFT, semiempirical, molecular dynamics,and others).

 

 

Research projects:

 

Mainly computational:

  • Nitric oxide reduction by cytochrome P450 nitric oxide reductase (P450NOR)
  • Nitric oxide reduction by non-heme iron systems
  • Nitrite reduction by nitrite reductases and related model systems, and the role of linkage isomerism therein
  • Activation of molecular oxygen and of peroxides by hemoproteins and by non-heme iron systems (e.g., peroxidases, heme oxygenase, cytochrome P450, bleomycin, Rieske dioxygenases)
  • Bioorganometallic chemistry with hemoproteins
  • Superoxide detoxification by superoxide reductases and superoxide dismutases
  • The nature and reactivity of less common iron oxidation states, e.g. Fe(IV), Fe(I)
  • Electromerism in adducts of transition metals with diatomic ligands (e.g., nitric oxide, dioxygen, superoxide, peroxide)
  • Excited-state properties from ground-state computations (collaboration with Dr. Svistunenko, University of Essex)
  • Nitrile hydration by nitrile hydratases
  • Halogen activation by metalloproteins
  • Carbon dioxide reactivity
  • Predictions on secondary and tertiary structure elements in proteins and in other biopolymers
  • Sulphite reductase and related systems involving sulphur oxides and oxyanions

 

Experimental and computational:

  • Biotransformations using horseradish peroxidase (peroxidase/peroxygenase/oxidase reactions)
  • Nitrite linkage isomerism in hemoproteins and model complexes
  • The nature of transient complexes involved in oxygen-oxygen bond activation in hemoproteins (ferrous-dioxygen, ferric-(hydroperoxo), ferryl)
  • Peroxynitrite and its adducts with hemoproteins and related systems
  • Studies on the reactivity of hemoglobin and myoglobin towards oxidative and nitrosative stress; blood substitutes
  • Natural extracts (plant extracts, fungi, food- or drug-related components): antioxidant activity, biological activity (anticancer, etc.),
  • Copper enzymes – e.g., laccases and related enzymes from fungi
  • Metal-containing drugs (e.g., cisplatin, as well as new synthetic compounds), and their effects on proteins involved in oxidative and nitrosative stress
  • Free-radical processes with applications in dental materials
  • Unusual oxidation states in proteins and model compounds – e.g., ‘super-reduced’ Fe(I), Fe(0), or highly-oxidized Fe(IV), Fe(V)
  • Redox processes in polyoxometalates
  • Cobalamin, cobinamide

 

 

 

Relevant research publications:

 

131. Attia, Amr Ali Ahmed Ali ; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu. Fe-O versus O-O bond cleavage in reactive iron-peroxide intermediates of superoxide reductase. Journal of Biological Inorganic Chemistry, 2012, in press

 

130., Pavel A. Stuzhin; Ivanova, Svetlana S; Dereven’kov, Ilya; Makarov, Sergey V.; Silaghi-Dumitrescu, Radu; Homborg, Heiner. First Water-Soluble μ-Nitrido Dimer of Iron Phthalocyanine. Macroheterocycles, 2012, 5(2), 175-177.

 

129. Valean, Ana-Maria; Gómez-Ruiz, Santiago; Lupan, Alexandru; Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie. Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-j2S,P}2(CO)2] (M = Mo, Fe): Analogous composition – Different structure. Inorganica Chimica Acta, 2013, 394, 289-294.

 

128. Xie, Yaoming; Schaefer III, Henry F; Silaghi-Dumitrescu, Radu; Dr. Peng, Bin; Li, Qian-shu ; Stearns, Jaime A.; Rizzo, Thomas R. Conformational Preferences of Gas-Phase Helices: Experiment and Theory Struggle to Agree: The Seven-Residue Peptide Ac-Phe-(Ala)(5) -Lys-H(+). Chemistry – A European Journal, 2012, DOI: 10.1002/chem.201202068

 

127. Surducan, Mihai; Lup, Dorina; Lupan, Alexandru; Makarov, Sergei V.; Silaghi-Dumitrescu, Radu. Electromerism and linkage isomerism in biologically-relevant Fe-SO complexes. Journal of Inorganic Biochemistry, 2012, http://dx.doi.org/10.1016/j.jinorgbio.2012.09.013.

 

126. Moţ, Augustin C.; Silaghi-Dumitrescu, Radu. Laccases: structures and mechanisms. Biochemistry (Moscow), 2012, in press.

 

125. Lupan, Alexandru; Kun, Attila; Carrascoza, Francisco; Silaghi-Dumitrescu, Radu. Performance of computational methods for modeling alpha helical structures. Journal of Molecular Modeling 2012, DOI: 10.1007/s00894-012-1531-z.

 

124. Prejmerean, Cristina , Moldovan, Marioara, Petrea, C.M., Prodan, Doina, Silaghi-Dumitrescu, Laura, Vasile, E., Furtos, Gabriel, Boboia, Stanca, Silaghi-Dumitrescu, Radu.  Physico-chemical and mechanical characterization of some experimental dental nanocomposites. Materiale Plastice, 2011, 48, 279-284.

 

123. Imre, Anamaria; Moţ, Augustin C; Silaghi-Dumitrescu, Radu. Exploring the possibility of high-valent copper in models of copper proteins with a three-histidine copper-binding motif. Central European Journal of Chemistry, 2012, 10(5). 1527-1533. Doi:10.2478/s11532-012-0069-3.

 

122. Silaghi-Dumitrescu, Radu. Redox activation of small molecules at biological metal centers. Structure & Bonding, 2012, in press.

 

121. Salnikov, Denis S.; Dereven’kov, Ilya A.; Makarov, Sergei V.; Ageeva, Elena S.; Lupan, Alexandru; Surducan, Mihai; Silaghi-Dumitrescu, Radu. Kinetics Of Reduction Of Cobalamin By Sulfoxylate In Aqueous Solutions. Revue Roumaine de Chimie, 2012, accepted.

 

120. Moţ, Augustin C.; Pârvu, Marcel; Damian, Grigore; Darula, Irimie, Florin D.; Zsuzsanna; Medzihradszky, Katalin F.; Brem, Balazs; Silaghi-Dumitrescu, Radu. A “yellow” laccase with “blue” spectroscopic features, from Sclerotinia sclerotiorum. Process Biochemistry, 2012, 47(6), 968–975.

 

119. Silaghi-Dumitrescu, Radu. DFT vibrational analysis of metal-hydroperoxo bleomycin complexes. Studia Universitatis Babes-Bolyai, Chemia 2012, in press

 

118. Cioloboc, Daniela; Tomsa, Adrian-Raul; Damian, Grigore; Silaghi-Dumitrescu, Radu. High spin to low spin change induced by reductive chemistry with iron-substituted Dawson polyoxometalate. Inorganic Chemistry Communications 2012, DOI: 10.1016/j.inoche.2012.02.019

 

117. Kozma, Ágnes; Ibáñez, Susana; Silaghi-Dumitrescu, Radu; Sanz Miguel, Pablo J.; Gupta, Deepali; Lippert, Bernhard. 7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2PtII, and base pairing properties. Dalton Transactions, 2012, 41 (20), 6094 – 6103. (assigned as „hot article” by the journal)

 

116. Lupan, Alexandru; Matyas, Csongor; Mot, Augustin; Silaghi-Dumitrescu, Radu. Can geometrical distortions make a laccase change color from blue to yellow?. Studia Universitatis Babes-Bolyai, Chemia 2011, 56(3), 201-206.

 

115. Prodan, Doina; Silaghi-Dumitrescu, Laura; Prejmerean, Cristina; Silaghi-Dumitrescu, Radu; Bolojan, Laura; Damian, Grigore. Evaluation of free radical concentration in some new dental composite materials by ESR spectroscopy. Studia Universitatis Babes-Bolyai, Chemia 2011, 56(3), 231-238.

 

114. Mot, Augustin C.; Syrbu, Sergei A.; Makarov, Sergei V.; Damian, Grigore; Silaghi-Dumitrescu, Radu. Axial ligation in water-soluble copper porphyrinates: contrasts between EPR and UV-vis. Inorganic Chemistry Communications 2012, 18(4), 1-3.

 

113. Iacob, Bianca; Deac, Florina; Cioloboc, Daniela; Damian, Grigore; Silaghi-Dumitrescu, Radu. Hemoglobin-albumin Crosslinked Copolymers: Reduced Prooxidant Reactivity. Artificial Cells Blood Substitutes And Biotechnology 2011, 39(5), 293-297.

 

112. Silaghi-Dumitrescu, Radu; Mich, Mihaela; Matyas, Csongor; Cooper, Chris E. Nitrite and nitrate reduction by molybdenum centers of the nitrate reductase type: Computational predictions on the catalytic mechanism. Nitric Oxide 2012, 26(1):27-31

 

111. Silaghi-Dumitrescu, Radu; Ghinga, Radu. A computational investigation of the decay mechanism of the reaction product of anthranilate dioxygenase (anthranilic acid diol). Studia Universitatis Babes-Bolyai, Chemia 2011, 56(4), 49-54.

 

110. Bischin, Cristina; Taciuc, Vicentiu; Silaghi-Dumitrescu, Radu. Cisplatin effect on hemoglobin and myoglobin autooxidation. Studia Universitatis Babes-Bolyai, Chemia 2010, 55(4), 313-318.

 

109. Irsai, Izabella ; Majdik, Cornelia; Lupan, Alexandru; Silaghi-Dumitrescu, Radu. Secondary structure elements in polylactic acid models, J. Math Chem, 2011, 50(4), 703-733.

 

108. Salnikov, Denis S.; Silaghi-Dumitrescu, Radu; Makarov, Sergei V.; van Eldik R, Boss GR Cobalamin reduction by dithionite. Evidence for the formation of a six-coordinate cobalamin(II) complex. Dalton Trans. 2011 40(38), 9831-4

 

107. Prejmerean, Cristina; Moldovan, Marioara; Silaghi-Dumitrescu, Laura; Prodan, Doina; Furtos, Gabriel; Trif, Marcela; Popescu, Violeta; Pascalau, Violeta; Petrea, Celina-Maria; Silaghi-Dumitrescu, Radu. Composition Versus Physico-mechanical Properties of Some Dental Experimental Polymers. Materiale Plastice, 2011, 48(1), 27-32.

 

106. Silaghi-Dumitrescu, Radu; Makarov, Sergei V.; Uta, Matei-Maria Dereven’kov, Ilia A.; Stuzhin Pavel A. Redox non-innocence of a nitrido bridge in a methane-activating dimer of iron phthalocyanine, New Journal of Chemistry, 2011, 35(5), 1140-1145.

 

105. Silaghi-Dumitrescu, Radu. What causes iron-sulphur bonds in active sites of one-iron superoxide reductase and two-iron superoxide reductase to differ?. Chemical Papers, 2011, 65 (4), 559–565.

 

104. Bischin, Cristina; Lupan, Alexandru; Taciuc, Vicentiu; Silaghi-Dumitrescu, Radu. Interactions between proteins and platinum-containing anti-cancer drugs. Mini-Reviews in Medicinal Chemistry, 2011, 11, 214-224.

 

103. Fischer-Fodor, Eva; Mot, Augustin; Deac, Florina; Arkosi, Mariann; Silaghi-Dumitrescu, Radu. Towards hemerythrin-based blood substitutes: comparative performance to hemoglobin on human leukocytes and umbilical vein endothelial cells. Journal of Biosciences, 2011, 36(2), 215-221.

 

102. Silaghi-Dumitrescu, Radu; Makarov, Sergei. Siroheme-containing sulfite reductase: a density functional investigation of the mechanism, International Journal of Quantum Chemistry 2012, 112(3), 900-908.

 

101. Silaghi-Dumitrescu, Radu. Assays for peroxidase activity: the HRP case, Studia Universitatis Babes-Bolyai, Chemia 2010, 55(3), 207-222.

 

100. Kun, Attila; Lupan, Alexandru; Silaghi-Dumitrescu, Radu. PM6 modeling of alpha helical polypeptide structures, Studia Universitatis Babes-Bolyai, Chemia 2010, 55(1), 31-36.

 

99. Zolog, Oana; Mot, Augustin; Deac, Florina; Roman, Alina; Fischer-Fodor, Eva; Silaghi-Dumitrescu, Radu.  A new polyethyleneglycol-derivatized hemoglobin derivative with decreased oxygen affinity and limited toxicity  The Protein Journal, 2010, 30(1), 27–31.

 

98. Deac, Florina-Violeta; Bolfa, Ana Maria; Magdas, Cristian; Sevastre, Bogdan; Turc, Silvia; Silaghi-Dumitrescu, Radu. Hemoglobin-based blood substitutes: which hemoglobin to use?, Romanian Journal of Biochemistry, 2010, 47(2), 135–141.

 

97. Mot, Augustin; Silaghi-Dumitrescu, Radu; Sarbu, Costel.  Rapid and effective evaluation of antioxidant capacity of propolis extracts using DPPH bleaching kinetic profiles, FT-IR and UV-vis spectral data  Journal of Food Composition and Analysis, 2011, 516–522.

 

96. Deac, Florina; Cotolan, Nicoleta; Kis, Zoltan; Silaghi-Dumitrescu, Radu. A dithionite-induced six-coordinated species at the heme in deoxy-hemoglobin, Metal Elements in Environment, Medicine and Biology Tome X, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds., 2010, Eurobit Publishing House, Timisoara, Romania, pp 121-126.

 

95. Lupan, Alexandru; Kun, Attila; Silaghi-Dumitrescu, Radu. Computational modeling metal-protein interactions: cisplatin, Metal Elements in Environment, Medicine and Biology Tome X, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds., 2010, Eurobit Publishing House, Timisoara, Romania, pp 199-204.

 

94. Bischin, Cristina; Taciuc, Vicentiu; Silaghi-Dumitrescu, Radu. Effects of antioxidants in cisplatin toxicology, Metal Elements in Environment, Medicine and Biology Tome X, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2010, Eurobit Publishing House, Timisoara, Romania, pp 265-270.

 

93. Silaghi-Dumitrescu, Radu; Seff, Amalia-Laura. Superoxide reductase: a debated mechanism, comparison with superoxide dismutases, Metal Elements in Environment, Medicine and Biology Tome X, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds., 2010, Eurobit Publishing House, Timisoara, Romania, pp 21-26.

 

92. Bischin, Cristina; Deac, Florina; Deac, Florina; Silaghi-Dumitrescu, Radu; Worrall, Jonathan A. R.; Rajagopal, Badri S.; Damian, Grigore; Cooper, Chris E.  Ascorbate peroxidase activity of cytochrome c  Free Radical Research, 2010, 45(4), 439-444.

 

91. Deac, Florina; Iacob, Bianca; Fischer-Fodor, Eva; Damian, Grigore; Silaghi-Dumitrescu, Radu.  Derivatization of hemoglobin with periodate-generated reticulation agents: evaluation of oxidative reactivity for potential blood substitutes  Journal of Biochemistry, 2010, 149(1), 75-82   .

 

90. Mot, Augustin C.; Roman, Alina; Lupan, Iulia; Kurtz, Jr. Donald M.; Silaghi-Dumitrescu, Radu.  Towards the development of hemerythrin-based blood substitutes  The Protein Journal, 2010, 29(6), 387-393.

 

89. Silaghi-Dumitrescu, Radu.  High-valent metalloporphyrins in hydrocarbon activation: metal(V)-oxo or metal(V)-hydroxo?  New Journal of Chemistry, 2010, 34(9), 1830-1833   .

 

88. Silaghi-Dumitrescu, Radu, Uta, Matei-Maria; Makarov, Sergei V.  Nitrite linkage isomerism in hemes and related complexes: modulation by metal, oxidation state, macrocycle, and medium polarity  Revue Roumaine de Chimie, 2010, 55(11-12), 897-903.

 

87. Silaghi-Dumitrescu, Radu. Computational analysis of bonding in PhIO and related ‘hypervalent’ iodine complexes  Studia Universitatis Babes-Bolyai, Chemia 2010, 55(2), 63-67.

 

86. Silaghi-Dumitrescu, Radu; Makarov, Sergei V. A computational analysis of electromerism in hemoprotein Fe(I) models, Journal of Biological Inorganic Chemistry, 2010, 15(6), 977-986.

 

85. Tomşa, Adrian-Raul; Cioloboc, Daniela; Todea, Ana Maria; Silaghi-Dumitrescu, Radu; Damian, Grigore; Rusu, Mariana. Synthesis, spectroscopic and electrochemical characterization of a new chromium (III) substituted Dawson polyoxometalate  Studia Universitatis Babes-Bolyai, Chemia 2009, 54 (4), 95-105.

 

84. Silaghi-Dumitrescu, Radu. A density functional investigation of hydrogen peroxide activation by high-valent heme centers: implications for the catalase catalytic cycle  Journal of Porphyrins and Phthalocyanines, 2010, 14(5), 371-374.

 

83. Silaghi-Dumitrescu, Radu. Computational description of peptide architectures based on hydrogen bonds  Studia Universitatis Babes-Bolyai, Chemia 2010, LV(1), 31-36.

 

82. Kis, Zoltan; Makarov, Sergei V; Silaghi-Dumitrescu, Radu. Computational investigations on the electronic structure and reactivity of thiourea dioxide: sulfoxylate formation, tautomerism, dioxygen liberation, Journal of Sulphur Chemistry, 2010, 31(1), 27-39.

 

81. Silaghi-Dumitrescu, Radu; Makarov, Sergei V. Hydrocarbon oxygenation by metal-nitrite adducts: a theoretical comparison with ferryl-based oxygenation agents, European Journal of Inorganic Chemistry, 2010, 39(6):1464-6.

 

80. Mot, Augustin; Kis, Zoltan; Svistunenko, Dimitri A.; Damian, Grigore; Makarov, Sergei V.; Silaghi-Dumitrescu, Radu. ‘Super-reduced’ iron under physiologically-relevant conditions, Dalton Transactions, 2010, 39(6):1464-6.

 

79. Deac, Florina-Violeta; Todea, Anamaria; Bolfa, Ana Maria; Podea, Paula; Petrar, Petronela; Silaghi-Dumitrescu, Radu. Ascorbate binding to globins, Romanian Journal of Biochemistry, 2009, 46(2), 115–121.

 

78. Mot,  Augustin Catalin; Damian, Grigore; Sarbu, Costel; Silaghi-Dumitrescu, Radu. Redox reactivity in propolis: direct detection of free radicals in basic medium and interaction with hemoglobin, Redox Report, 2009, 14(6), 267-74.

 

77. Arkosi, Mariann-Kinga; Deac, Florina;Silaghi-Dumitrescu, Radu. Hemoglobin peroxidase activity: interaction with hydroquinone and anthracene, Metal Elements in Environment, Medicine and Biology Tome IX, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2009, Cluj University Press, Cluj-Napoca, Romania, pp 99-110.

 

76. Mot, Augustin; Roman, Alina; Silaghi-Dumitrescu, Radu. Blood substitutes: can we do without hemoglobin?, Metal Elements in Environment, Medicine and Biology Tome IX, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2009, Cluj University Press, Cluj-Napoca, Romania, pp 122-125.

 

75. Taciuc, Vicentiu; Bischin, Cristina; Silaghi-Dumitrescu, Radu. A novel mechanism for platinum-based drugs: cisplatin and related compounds as pro-oxidants in blood, Metal Elements in Environment, Medicine and Biology Tome IX, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2009, Cluj University Press, Cluj-Napoca, Romania, pp 130-134.

 

74. Deac, Florina; Todea, Anamaria; Silaghi-Dumitrescu, Radu. Glutaraldehyde derivatization of hemoglobin: a potential blood substitute, Metal Elements in Environment, Medicine and Biology Tome IX, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2009, Cluj University Press, Cluj-Napoca, Romania, pp 165-173.

 

73. Silaghi-Dumitrescu, Radu; Bischin, Cristina; Deac, Florina; Kis, Zoltan; Mot, Augustin; Makarov, Sergei V. Unusual metal oxidation states in metalloproteins and related complexes: from degenerate orbitals to apoptosis, Metal Elements in Environment, Medicine and Biology Tome IX, Radu Silaghi-Dumitrescu, Gabriela Garban, Eds.,  2009, Cluj University Press, Cluj-Napoca, Romania, pp 174-182.

 

72. Silaghi-Dumitrescu, Radu. Superoxide interaction with nickel and iron superoxide dismutases, Journal of Molecular Graphics and Modelling 2009, 28(2), 156-61.

 

71. Haiduc, Ionel; Silaghi-Dumitrescu, Ioan; Garban, Zeno; Fischer-Fodor, Eva; Silaghi-Dumitrescu, Radu. Metallomics, Metal Elements in Environment, Medicine and Biology Tome VIII, Corneliu Davidescu, Gabriela Garban, Iosif Gergen, Simona Dragan, Nicolae Vaszilcsin, Adina Avacovici, Eds.,  2008, Eurobit Publishing House, Timisoara, Romania, pp 5-14.

 

70. Silaghi-Dumitrescu, Radu; Deac, Florina. The redox reactivity of globins: the chicken and egg paradox, Metal Elements in Environment, Medicine and Biology Tome VIII, Corneliu Davidescu, Gabriela Garban, Iosif Gergen, Simona Dragan, Nicolae Vaszilcsin, Adina Avacovici, Eds.,  2008, Eurobit Publishing House, Timosara, Romania, pp 271-276.

 

69. Kis, Zoltan; Silaghi-Dumitrescu, Radu. The Electronic Structure of Biologically Relevant Fe(0) Systems, International Journal of Quantum Chemistry 2010, 110(10), 1848-1856.

 

68. Pogorelova, Anna S.; Makarov, Sergei V.; Ageeva, Tatiana; Silaghi-Dumitrescu, Radu. Cobalt tetrasulfophthalocyaninate – a catalyst for nitrite reduction by thiourea dioxide, Russian Journal of Physical Chemistry 2009, 83(12), 2250-2254.

 

67. Makarov,Sergei V.; Salnikov Denis S.; Pogorelova, Anna S.; Kis, Zoltan; Silaghi-Dumitrescu, Radu. A new route to carbon monoxide adducts of heme proteins, Journal of Poprhyrins and Phthalocyanines 2008, 12, 1096-1099.

 

66. Silaghi-Dumitrescu, Radu; Kallay, Andras. Carbon dioxide hidration: mechanistic lessons from enzymatic systems  Studia Universitatis Babes-Bolyai, Chemia 2008, (3), 47-50.

 

65. Silaghi-Dumitrescu, Radu. Halide activation by heme peroxidases: theoretical predictions on putative adducts of halides with Compound I  European Journal of Inorganic Chemistry, 2008, 5404-5407.

 

64. Silaghi-Dumitrescu, Radu. Carbon dioxide activation: hydration by carbonic anhydrase and related systems - what makes a good catalyst?  Journal of Molecular Structure THEOCHEM 2010, 942(1-3), 15-18.

 

63. Silaghi-Dumitrescu, Radu. An alternative mechanism for catalase activity  Studia Universitatis Babes-Bolyai, Chemia 2007, (4), 127-130.

 

62. Silaghi-Dumitrescu, Radu. Bonding in biologically-relevant high-valent iron centers  International Journal of Chemical Modeling 2008, 1 (4).

 

61. Silaghi-Dumitrescu, Radu. Nitric oxide and nitrite reduction by metalloenzymes  Revue Roumaine de Chimie, 2009, 54(6), 513–522.

 

60. Reeder, Brandon J.; Grey, Marie; Silaghi-Dumitrescu, Radu; Svistunenko, Dimitri A.; Bülow, L; Cooper, Chris E.; Wilson, Michael T. Tyrosine residues as redox cofactors in human hemoglobin: implications for engineering non toxic blood substitutes  Journal of Biological Chemistry, 2008, 283, (45), 30780-30787.

 

59. Silaghi-Dumitrescu, Radu. The ferric-oxo moiety in porphyrin complexes – a ferryl in disguise?  Macroheterocycles, 2008, 1, 79-81.

 

58. Silaghi-Dumitrescu, Radu; Uta, Matei-Maria. Nitrite linkage isomerism in bioinorganic chemistry – a case for mechanistic promiscuity  Studia Universitatis Babes-Bolyai, Chemia 2008, (2),  61-65.

 

57. Cooper, Chris E.; Silaghi-Dumitrescu, Radu; Rukengwa, Martine; Alayash, Abdu I.; Buehler, Paul W.. Peroxidase-activity of hemoglobin towards ascorbate and urate: a synergistic protective strategy against toxicity of hemoglobin-based oxygen carriers (HBOC)  Biochimica Biophysica Acta, 2008, 1784, 1415–1420.

 

56. Silaghi-Dumitrescu, Radu. Halide activation by heme peroxidases: theoretical predictions on putative adducts of halides with Compound I.  Journal of Biological Inorganic Chemistry, 2007, 12(S1), S229.

 

55. Silaghi-Dumitrescu, Radu. The “push” effect of the thiolate axial ligand in superoxide reductase: a density functional study    Revue Roumaine de Chimie, 2008, 53(12), 1149–1156.

 

54. Silaghi-Dumitrescu, Radu. A density functional study of aromatic ring oxygenation by Rieske dioxygenase active sites. 2. Energetics of the proposed reaction mechanisms.    Studia Universitatis Babes-Bolyai, Chemia 2007, (2), 127-139.

 

53. Silaghi-Dumitrescu, Radu. Dioxygen activation by Rieske dioxygenases – computational studies. 1. Possible catalytic intermediates.    Studia Universitatis Babes-Bolyai, Chemia 2007, (2), 103-126.

 

52. Silaghi-Dumitrescu, Radu. A paradigm for o-o bond cleavage in ferric-hydroperoxo complexes.    Studia Universitatis Babes-Bolyai, Chemia 2007,  52, 47-54.

 

51. Silaghi-Dumitrescu, Radu. Electronic structures of Fe(IV) and Fe(V) systems with oxo, sulfido and nitrido ligands in octahedral environments. Revista de Chimie, 2007, 58(5), 461-464.

 

50. Svistunenko, Dimitri A.; Reeder, Brandon J.; Wankasi, Mieebi M.; Silaghi-Dumitrescu, Radu; Cooper, Chris E. Rinaldo, Serena; Cutruzzolà, Francesca; Wilson, Michael T. Interaction of Aplysia limacina metmyoglobin with hydrogen peroxide.  Dalton Transactions 2007, 840-50.

 

49. Silaghi-Dumitrescu, Radu; Reeder, Brandon; Nicholls, Peter; Cooper, Chris E.; Wilson, Michael T. Ferryl haem protonation gates peroxidatic reactivity in globins.  Biochemical Journal 2007, 403, 391–395.

 

48. Schwartz, Jennifer K.; Liu XF; Albetel Angela Nadia; Silaghi-Dumitrescu, Radu, Kurtz,  Donald M, Jr.; Theil, Elizabeth C; Solomon, Edward I; Structure/function correlations in binuclear non-heme ferrous sites: Specific characterization of the active sites in m-Ferritin and nitric oxide reductases    Abstracts of Papers, 231st ACS National Meeting, United States, March 26, 2006  (2006),     INOR-89

 

47. Silaghi-Dumitrescu, Radu. Hemes Revisited by Density Functional Approaches. 2. A Paradigm for Axial Ligation In Hemoproteins.    Studia Universitatis Babes-Bolyai, Chemia 2006,  51, 167-174.

 

46. Silaghi-Dumitrescu, Radu. Fe(IV)-Fe(II) electromerism in hemoprotein complexes: implications for ferryl chemistry.    Proceedings of the Romanian Academy Series B 2006,  2-3, 95-101.

 

45. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan; Editorial – special issue on Computational Inorganic Chemistry.  Chemtracts – Inorganic Chemistry 2005, 50, 11-16.

 

44. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan; Computational Inorganic Chemistry – a useful tool, and more.  Chemtracts – Inorganic Chemistry 2005, 684-708.

 

43. Isaza, Clara E.; Silaghi-Dumitrescu, Radu; Iyer, Ramesh B.; Kurtz, Donald M. Jr.; Chan, Michael K. Structural Basis for O2 Sensing by the Hemerythrin-like Domain of a Bacterial Chemotaxis Protein: Substrate Tunnel and Fluxional N Terminus.   Biochemistry 2006, 45(30), 9023-9031.

 

42. Dunne, Jacqueline; Caron, Alexis; Menu, Patrick; Alayash, Abdu I.; Buehler, Paul W.; Wilson, Michael T.; Silaghi-Dumitrescu, Radu; Faivre, Beatrice; Cooper, Chris E. Ascorbate removes key precursors to oxidative damage by cell free hemoglobin in vitro and in vivo.  Biochemical Journal 2006, 399(3), 513-24.

 

41. Silaghi-Dumitrescu, Radu; Copper-containing nitrite reductase: a DFT study of nitrite and nitric oxide adducts.  Journal of Inorganic Biochemistry 2006, 100(3), 396-402.

 

40. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan; DFT and the electromerism in complexes of iron with diatomic ligands.  Journal of Inorganic Biochemistry 2006, 100(1), 161-166.

 

39. Silaghi-Dumitrescu, Radu; Cooper, Chris E., Transient species involved in catalytic dioxygen/peroxide activation by hemoproteins: possible involvement of protonated compound I species.  Dalton Transactions 2005, 3477-3482.

 

38. Iyer, Ramesh B.; Silaghi-Dumitrescu, Radu; Lanzilotta, William N.; Kurtz, Donald M.  Novel non-heme diiron bacterial peroxidases.    Abstracts of Papers, 229th ACS National Meeting, San Diego, CA, United States, March 13-17, 2005  (2005),     INOR-556

 

37. Iyer, Ramesh,* Silaghi-Dumitrescu, Radu,* Lanzilotta, William N. Kurtz, Donald M. Jr.  High-resolution crystal structures of Desulfovibrio vulgaris (Hildenborough) nigerythrin: facile, redox-dependent iron movement, domain interface variability, and peroxidase activity in the rubrerythrins   Journal of Biological Inorganic Chemistry 2005, 10, 407-416. (*authors marked “contributed equally to this work”)

 

36. Silaghi-Dumitrescu, Radu, Kurtz, Donald M. Jr., Ljungdahl, Lars G., Lanzilotta, William N.  X-ray Crystal Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric OxideReductase.   Biochemistry 2005, 44(17), 6492-6501.

 

35. Silaghi-Dumitrescu, Radu. A density functional study of heme-peroxynitrite adducts.  Journal of Molecular Structure THEOCHEM, (2005), 722, 233-237.

 

34. Silaghi-Dumitrescu, Radu. “High-valent” ferryl-oxo complexes: how “high” are they really?    Studia Universitatis Babes-Bolyai, Chemia 2005,  50, 17-21.

 

33. Silaghi-Dumitrescu, Radu. Discontinuum between ferrous-superoxo and ferric-peroxo in heme [FeO2]9 complexes?    Studia Universitatis Babes-Bolyai, Chemia 2005,  11-16.

 

32. Silaghi-Dumitrescu, Radu. Nitrile hydration by the cobalt-containing nitrile hydratase. DFT investigation of the mechanism    Revista de Chimie  2005, 56(4), 359-362.

 

31. Silaghi-Dumitrescu, Radu; Ng, Kim Yong; Viswanathan, Rathinam, Kurtz, Donald M. Jr. A Flavo-diiron protein from Desulfovibrio vulgaris with oxidase and nitric oxide reductase activities. Evidence for an In vivo nitric oxide scavenging function.  Biochemistry 2005, 44(9), 3572-9.

 

30. Das, Amaresh; Silaghi-Dumitrescu, Radu; Ljungdahl, Lars G.; Kurtz, Donald M., Jr., Cytochrome bd oxidase, oxidative stress and dioxygen tolerance of the strictly anaerobic bacterium, Moorella thermoacetica.  Journal of Bacteriology 2005, 187(6), 2020-2029.

 

29. Kurtz, Donald M.; Lanzilotta, William N.; Silaghi-Dumitrescu, Radu.  How microbes detoxify superoxide, hydrogen peroxide, and nitric oxide: The non-heme iron reductive paradigm.    Abstracts of Papers, 227th ACS National Meeting, Anaheim, CA, United States, March 28-April 1, 2004  (2004),     INOR-418

 

28. Silaghi-Dumitrescu, Radu. Factors controlling O-O bond cleavage in ferric-hydroperoxo complexes.    Proceedings of the Romanian Academy Series B 2004, 3, 155-163.

 

27. Silaghi-Dumitrescu, Radu. Bioorganometallic complexes relevant to the “push effect” in hemoproteins.    Proceedings of the Romanian Academy Series B 2004, 3, 149-154.

 

26. Silaghi-Dumitrescu, Radu. Bonding in ferric-oxo complexes.    Studia Universitatis Babes-Bolyai, Chemia 2004, 49(2), 235-240.

 

25. Silaghi-Dumitrescu, Radu; Linkage isomerism in nitrite reduction by cytochrome cd1 nitrite reductase.  Inorganic Chemistry 2004, 43(12), 3715-3718.

 

24. Silaghi-Dumitrescu, Radu; The nature of the “high-valent” complexes in the catalytic cycles of hemoproteins.  Journal of Biological Inorganic Chemistry 2004, 9, 471-476.

 

23. Silaghi-Dumitrescu, Radu; The nitric oxide adducts of cytochrome cd1 nitrite reductase.    Revista de Chimie  2004, 55, 496-498.

 

22. Silaghi-Dumitrescu, Radu; On the performance of the PM3 semiempirical method with heme complexes relevant to dioxygen and peroxide activation.    Revista de Chimie 2004, 55, 304-307.

 

21. Silaghi-Dumitrescu, Radu; Heme ferrous-hydroperoxo complexes: some theoretical considerations.    Archives of Biochemistry and Biophysics 2004, 424, 137-140.

 

20. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan. Hemes revisited by density functional approaches. 1. The axial ligand and the dioxygen-peroxo chemistry.    Revue Roumaine de Chimie 2004, 3-4, 257-268.

 

19. Silaghi-Dumitrescu, Radu; Amthor, Stephan; Paizs, Csaba; Majdik, Cornelia; Tosa, Monica; Moldovan, Paula; Sas, Angela; Tamas, Liana;  Irimie, Florin-Dan. Horseradish peroxidase - catalyzed oxidation of water - insoluble phenothiazines.    Studia Universitatis Babes-Bolyai, Chemia 2003, 48, 165.

 

18. Kurtz, Donald M., Jr.;  Emerson, Joseph P; Silaghi-Dumitrescu, Radu; Kung, Irene; Das, Amaresh; Ljungdahl, Lars; How microbes detoxify superoxide, hydrogen peroxide and nitric oxide. The non-heme iron reductive paradigm     Journal of Inorganic Biochemistry 2003, 96, 69.

 

17. Kurtz, Donald M., Jr.;  Silaghi-Dumitrescu, Radu; Das, Amaresh; Jameson, Guy; Ljungdahl, Lars; Huynh, Boi Hanh  A non-heme iron nitric oxide reductase that protects against nitrosative stress in acetogenic bacteria             Journal of Inorganic Biochemistry  2003,  96, 174.

 

16. Silaghi-Dumitrescu, Radu; Kurtz, Donald M., Jr.  High-resolution crystal structures and spectroscopy of native and Compound I Cytochrome c Peroxidase        Chemtracts – Inorganic Chemistry 2003, 16, 722-728 – Commentary.

 

15. Silaghi-Dumitrescu, Radu; Irimie, Florin-Dan; Paizs, Csaba; Majdik, Cornelia; Tosa, Monica; Moldovan, Paula; Sas, Angela; Tamas, Liana.  Horseradish peroxidase catalyzed oxidation of some benzyl-type alcohols.    Studia Universitatis Babes-Bolyai, Chemia  2003,  48, 177-182.

 

14. Silaghi-Dumitrescu, Radu; Kurtz, Donald M., Jr.  Tuning the electronic structure of octahedral iron complexes {FeL(X)} (L = 1-alkyl-4,7-bis(4-tert-butyl-2-mercaptobenzyl)-1,4,7-triazacyclononane, X = Cl, CH3O, CN, NO): the S = 1/2 - S = 3/2 spin equilibrium of {FeLPr(NO)}.    Chemtracts – Inorganic Chemistry 2003, 16(8), 468-473 – Commentary.

 

13. Silaghi-Dumitrescu, Radu.  Nitric oxide reduction by heme-thiolate enzymes (P450nor): A reevaluation of the mechanism.    European Journal of Inorganic Chemistry 2003,   (6), 1048-1052.

 

12. Silaghi-Dumitrescu, Radu; Coulter, Eric D.; Das, Amaresh; Ljungdahl, Lars G.; Jameson, Guy N. L.; Huynh, Boi Hanh; Kurtz, Donald M., Jr.  A flavodiiron protein and high molecular weight rubredoxin from Moorella thermoacetica with nitric oxide reductase activity.    Biochemistry 2003, 42(10),  2806-2815.

 

11. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan; Coulter, Eric D.; Kurtz, Donald M., Jr.  Computational study of the non-heme iron active site in superoxide reductase and its reaction with superoxide.    Inorganic Chemistry 2003, 42(2), 446-456.

 

10.Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Radu; Blake, Alexander J; Cooke, Paul A.; Sowerby, D. Bryan, Chlorination of (AsPh2)2O: Supramolecular structure of dihydroxodiphenylarsonium hydrogensulfate [AsPh2(OH)2] [HOSO3], Revue Roumaine de Chimie 2002, 47(10-11), 1063-1068.

 

9. Irimie, Florin-Dan; Paizs, Csaba; Majdik, Cornelia; Tosa, Monica; Misca, Radu; Silaghi-Dumitrescu, Radu.  Bioorganic synthesis of some (5-benzothiazol-2-yl-furan-2-yl)-methanols in cell catalysis using Saccharomyces cerevisiae.    Heterocyclic Communications 2002, 8(5), 489-492.

 

8. Silaghi-Dumitrescu, Radu; Silaghi-Dumitrescu, Ioan; Coulter, Eric D.; Emerson, Joseph P; Kurtz, Donald M., Jr.  Computational study of the non-heme iron active site in superoxide reductase and its reaction with superoxide.    Journal of Inorganic Biochemistry 2001, 86(1), 432.

 

7. Silaghi-Dumitrescu, Luminita; Silaghi-Dumitrescu, Ioan; Silaghi-Dumitrescu, Radu; Haiduc, Ionel; Blake, Alexander J.; Sowerby, D. Bryan.  Bromination of (AsPh2)2O: the structure of tribromo-diphenylarsenic(V).    Revista de la Sociedad Quimica de Mexico 2000, 44(2), 134-138.

 

6. Irimie, Florin-Dan; Paisz, Csaba; Joo, Francisc; Silaghi-Dumitrescu, Radu; Tosa, Monica; Majdik, Cornelia.  Biocatalytical reduction of some 5-(carboxyethyl-phenyl)-furyl-2-carboxaldehydes mediated by baker's yeast.    Progress in Catalysis 1999, 8(2), 70-73.

 

5. Irimie, Florin-Dan; Paizs, Csaba; Joo, Francisc; Silaghi-Dumitrescu, Radu; Tosa, Monica; Majdik, Cornelia.  Bioorganic reduction of some 5-phenyl-furyl-2-carboxaldehydes mediated by bakers' yeast.    Roumanian Biotechnological Letters 1999, 4(1), 71-74.

 

4. Irimie, Florin-Dan; Paizs, Csaba; Silaghi-Dumitrescu, Radu; Damian, G.; Majdik, Cornelia; Tosa, Monica.  Mass spectrometry of some new 2-hydroxymethyl-5-phenyl-furans obtained through cell catalysis.    Studia Universitatis Babes-Bolyai, Chemia 1998,  43(1-2),  173-177.

 

3. Majdik, Cornelia; Irimie, Florin-Dan; Paizs, Csaba; Silaghi-Dumitrescu, Radu; Joo, Francisc; Tosa, Monica.  Synthesis and reduction of some nitro-benzofurans.    Studia Universitatis Babes-Bolyai, Chemia 1998, 43(1-2), 115-120.

 

2. Irimie, Florin-Dan; Paizs, Csaba; Chender, C.; Joo, Francisc; Silaghi-Dumitrescu, Radu; Majdik, Cornelia; Tosa, Monica.  Furyl-benzothiazoles. Synthesis and reactivity.    Studia Universitatis Babes-Bolyai, Chemia 1998, 43(1-2), 109-114.

 

1. Silaghi-Dumitrescu, Radu; Paisz, Csaba; Irimie, Florin-Dan; Joo, Francisc; Majdik, Cornelia; Tosa, Monica.  Biotransformation of nitroso naphthols bioassisted by Baker's yeast.    Studia Universitatis Babes-Bolyai, Chemia 1998, 43(1-2),  83-90.

 

Books, chapters:

1. Radu Silaghi-Dumitrescu, Horseradish peroxidase – a versatile catalyst. 2006, Research Signpost, India

 

2. Radu Silaghi-Dumitrescu, Bonding in biologically-relevant high-valent iron centers, in „Quantum Frontiers of Atoms and Molecules”, Ed. Mihai V. Putz, NOVA Publishing Inc. (New York), 22pp

 

3. Radu Silaghi-Dumitrescu, Metalele in sistemele vii, 2011, Presa Universitara Clujeana, Cluj-Napoca.

 

4. Radu Ghinga, Iulia Ghinga, Radu Silaghi-Dumitrescu, Notiuni de baza in chimia organica, 2012, Presa Universitara Clujeana, Cluj-Napoca.

 

5. Radu Silaghi-Dumitrescu, Luminita Silaghi-Dumitrescu, On binary logic in Chemistry and beyond, in “On psychology and beyond”, Ed. Enikö Batiz, 2012, Presa Universitara Clujeana, Cluj-Napoca

 

6. Radu Silaghi-Dumitrescu, Cristina Bischin, Interactions Between Proteins and Platinum-Containing Anticancer Drugs, in V.N. Uversky, R.H. Kretsinger, E.A. Permyakov (eds.), Encyclopedia of Metalloproteins, Springer Science+Business Media, LLC 2012. DOI 10.1007/978-1-4614-1533-6

 

Publication on the World Wide Web:

HRP: A Summary of its Structure, Mechanism and Substrate Diversity - International Working Group on Plant Peroxidases (IWGPP)

http://www.unige.ch/LABPV/perox.html

 

 

Links:

Local:

The Biochemistry group at the Chemistry Department, UBB

The Chemistry Department, UBB

The ‘Babes-Bolyai’ University

 

Relevant Romanian institutions:

The Romanian Academy

 

Romanian chemistry/biochemistry journals

Studia Universitatis Babes-Bolyai

Revista de Chimie

Revue Roumaine de Chimie

Proceedings of the Romanian Academy