A5059739662- Boron Compounds in Chemistry
- Boron and Carbon Nanomaterials Research
- Brain Metastases and Treatment
- Radiopharmaceutical Chemistry and Applications
- Glioma Diagnosis and Treatment
- Organoboron and organosilicon chemistry
- X-ray Diffraction in Crystallography
- Advanced Radiotherapy Techniques
- Crystallization and Solubility Studies
- Hemoglobin structure and function
- Crystallography and molecular interactions
- Metal-Catalyzed Oxygenation Mechanisms
- Organometallic Complex Synthesis and Catalysis
- Management of metastatic bone disease
- Magnetism in coordination complexes
- Radioactive element chemistry and processing
- Synthesis and characterization of novel inorganic/organometallic compounds
- Lung Cancer Treatments and Mutations
- Lung Cancer Research Studies
- Electron Spin Resonance Studies
- Meningioma and schwannoma management
- Metal complexes synthesis and properties
- Neurofibromatosis and Schwannoma Cases
- Medical Imaging Techniques and Applications
- Nitric Oxide and Endothelin Effects
Royal Stoke University Hospital
2024
Doncaster and Bassetlaw Teaching Hospitals NHS Foundation Trust
2024
Babeș-Bolyai University
2013-2023
Magdi Yacoub Heart Foundation
2023
Mayo Clinic in Florida
2023
Vanderbilt University Medical Center
2014-2020
Spitalul Clinic Județean de Urgență Cluj-Napoca
2015-2020
Chiesi (France)
2017-2020
Technical University of Cluj-Napoca
2018
University of Southern Denmark
2018
The autocatalytic reaction between nitrite and the oxy form of globins involves free radicals. For myoglobin (Mb), an initial binding to iron-coordinated oxygen molecule was proposed; resulting ferrous-peroxynitrate species not detected, but its decay product, high-valent ferryl form, demonstrated in stopped-flow experiments. Reported here are stopped flow spectra recorded upon mixing Hb (native, as well chemically-derivatized several candidates blood substitutes) with a supraphysiological...
The electronic structure of oxy- and aqua-bound active sites hemoglobin (Hb) cytochrome P450 mono oxygenase (CYP450) are investigated by applying a wide range DFT functionals including the pure BP86, hybrid B3LYP recently developed meta-GGA (M06 family). Mixed descriptions widely differing order spin-multiplet energies obtained depending on functional employed. A reproduction experimental singlet ground state oxy Hb was achieved all functionals: convergence to unrestricted broken symmetry...
The complex formation between Nd(iii) and d-gluconate (Gluc-) is of relevance in modelling the chemical equilibria radioactive waste repositories. In present work, NdpGlucqH-r complexes at 25 °C pH = 2-8 was studied via spectrophotometry, potentiometry, freezing point depression, conductometry NMR spectroscopy. addition to four mononuclear (pq-r 110, 120, 130 11-2), two binuclear, so far unknown 23-2 24-2) revealed. Between 5.5 7, with increasing metal ion ligand concentrations, Nd2Gluc3H-2+...
This work presents the unusual reactivity of a family electron-deficient half-sandwich metal complexes.
Theoretical studies on the dicarbalanes C2Aln–2Men (n = 7–14; Me methyl) predict both carbon atoms to be located at degree 4 vertices of a central C2Aln–2 deltahedron in lowest energy structures. As consequence, deltahedra having two vertices, 6 and eight 5 rather than regular icosahedron exclusively are found for 12-vertex dicarbalane C2Al10Me12. However, 7–11) structures based same most spherical (closo) as corresponding deltahedral boranes. The 13- 14-vertex systems 13 14) also exactly...
The complexation equilibria between Mg2+ and d-gluconate (Gluc-) ions are of particular importance in modeling the chemical speciation low- intermediate-level radioactive waste repositories. NMR measurements potentiometric titrations conducted at 25 °C 4 M ionic strength revealed formation MgGluc+, MgGlucOH0, MgGluc(OH)2-, Mg3Gluc2(OH)40 complexes. trinuclear species provides indirect evidence for existence multinuclear magnesium(II) hydroxido complexes, whose was proposed earlier but has...
Stoichiometric and catalytic oxidation of flavanone by nonheme Fe(<sc>iv</sc>)O, their Fe(<sc>ii</sc>) precursors with <italic>m</italic>-CPBA, as flavone synthase mimics is investigated.
Carbon monoxide (CO) is both a substance hazardous to health and side product of number industrial processes, such as methanol steam reforming large-scale oxidation reactions. The separation CO from nitrogen (N2) in processes considered be difficult because the similarities their electronic structures, sizes, physicochemical properties (e.g., boiling points). also major poison fuel cells its adsorption onto active sites catalysts. It therefore utmost economic importance discover new...
The 3-Cl-6-amino-(2'-picolyl)-1,2,4,5-tetrazine ligand HL1 has been synthesized and structurally characterized. Its versatile coordination behavior evidenced through reactions with Cu(Hfac)2 Cu(triflate)2 precursors, which provided mixed-valence bimetallic Cu1.5Cu1.5 complexes [Cu2(μ-Cl)(L1)2] 2 [Cu2(μ-triflate)(L1)2] 5. Changing the Cu(ii) precursor solvent leads to formation of mononuclear octahedral [CuCl2(HL1)2]·2CH3CN 3 [Cu(Hfac)2(HL1)] 4, in only amino-pyridine unit is involved metal...
Reported here is a computational study based on density functional theory that presents the first attempt to investigate 2-electron 2-proton reaction of Fe(III)-H2NOH Fe(III)-HNO in catalytic cycle hydroxylamine oxidoreductase-a multiheme-containing enzyme catalyzes conversion (HA) nitrite nitrifying bacteria. Two subsequent protonation events are proposed initiate process, which second suggested be concerted with one-electron oxidation. The final oxidation further accompanied by third...
Data from the National Lung Screening Trial suggested that annual computed tomography (CT) screening of at-risk patients decreases lung cancer mortality by 20%. We assessed effects low-dose CT radiation in mice exposed to 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone (NNK) mimic heavy smokers and ex-smokers. A/J were treated at 8 weeks with NNK followed 1 week later 4 weekly doses 0, 10, 30 or 50 mGy whole-body euthanized months later. Irradiated exhibited significant 1.8- 2-fold increases...
Hemoglobin's redox reactivity is affected by anticancer drugs of the antitubulin class. Direct binding these to hemoglobin, with biomedically relevant affinities, demonstrated. While this interaction mostly allosteric, in case docetaxel, a direct reaction also observed—correlating well structural differences between four compounds. A role for Tyr145 proposed, line previous observations importance amino acid Hb toward agents oxidative stress. susceptibility vinorelbin (and lower extent...
DFT studies on the experimentally known Cp*<sub>3</sub>Rh<sub>3</sub>B<sub>12</sub>H<sub>12</sub>Rh(B<sub>4</sub>H<sub>9</sub>RhCp*) as well two model compounds indicate low energy structures with central Rh<sub>4</sub>B<sub>12</sub> tetracapped tetratruncated tetrahedra for these 32 Wadean skeletal electron systems.