BULGARIAN NMR CENTRE

Website

Research interests

Development and application of advanced NMR approaches:

Liquid phase NMR spectroscopy
- Structural analysis and stereochemistry of synthetic organic compounds
- Molecular mobility - classical dynamic NMR for the investigation of tautomeric and conformational equilibria.
- Diffusion NMR spectroscopy - investigation of supramolecular complexes, processes of self-aggregation, particle size determination in colloidal systems, analysis of complex mixtures.
- Chemical profiling and metabolic analysis of extracts of plant origin
- Analysis of food and natural products
- NMR spectroscopy with in situ irradiation

Solid state NMR spectroscopy
- Structure of mesoporous silicates and zeolites
- Organic-inorganic hybrid materials

NMR spectroscopy of soft materials - Polymeric (hydro)gels
- Extracts of medicinal and aromatic plants

LABORATORY MEMBERS

Head:

Prof. Dr. Pavletta Shestakova


02 9606 136
209
Pavletta.Shestakova@orgchm.bas.bg
Name Room Phone Å-mail*
Prof. Pavletta Shestakova, PhD, Head 209 136 Pavletta.Shestakova
Prof. Nikolay Vassilev, PhD 112 172 Nikolay.Vassilev
Prof. Svetlana Simova, DSc 104 140 Svetlana.Simova
Assoc. Prof. Yavor Mitrev, PhD 106 146 Yavor.Mitrev
Assist. Prof. Alexander Kantardjiev, PhD 117 189 Alexander.Kantardjiev
Assist. Prof. Dessislava Gerginova, PhD 103 120 Dessislava.Gerginova
Assist. Prof. Miroslav Dangalov, PhD 112 172 Miroslav.Dangalov
technician Ïëàìåí ×îðáàäæèåâ 103 120
Associated members
Assoc. Prof. Bozhanka Mihova, PhD 103
*The e-mail is formed after adding '@ orgchm.bas.bg' to the name

Projects

Financing organization: Ministry of education and science Project title: National Scientific Infrastructure: Distributed infrastructure of centers for synthesis and characterization of new materials and conservation of archeological and ethnographic artefacts (INFRAMAT) Period of implementation: from 2018 Coordinator of the research team (IOCCP-BAS): Prof. Dr. Pavletta Shestakova Webpage

Financing organization: National science fund, Ministry of education and science Project title: In situ irradiation NMR spectroscopy in the design of new functional materials (LED-NMR) Coordinator of the research team: Prof. Dr. Nikolay Vassilev Webpage

Financing organization: National science fund, Ministry of education and science Project title: NMR study by in situ photoinitiation of reactions involving photoactive N-heterocyclic carbenes Period of implementation: from 2018 Coordinator of the research team: Assist. Prof. Miroslav Dangalov, PhD

Selected group publications(Q1)

2021

Int. J. Mol. Sci.,
22,
1759
Biotechnologically-Produced Myconoside and Calceolarioside E Induce Nrf2 Expression in Neutrophils
Algal Res.,
60,
102538
Immunomodulating polysaccharide complexes and antioxidant metabolites from Anabaena laxa, Oscillatoria limosa and Phormidesmis molle
Foods,
10,
997
A Preliminary Study of Chemical Profiles of Honey, Cerumen, and Propolis of the African Stingless Bee Meliponula ferruginea
Nanomaterials,
11,
2831
CO2 Adsorption on Modified Mesoporous Silicas: The Role of the Adsorption Sites
Molecules,
26,
5888
In Vitro Multiplication and NMR Fingerprinting of Rare Veronica caucasica M. Bieb
J. Mol. Liq.,
335,
116287
Neutral organophosphorus ligands as a molecular lab for simultaneous detecting of Ag(I) ions
Dyes Pigm.,
195,
109739
7-OH quinoline Schiff bases: are they the long awaited tautomeric bistable switches?
Phys. Chem. Chem. Phys.,
23,
13760-13767
À single isomer rotary switch demonstrating anti-Kasha behaviour: Does acidity function matter?
Organometallics,
40,
578–590
1,2-Disubstituted Planar Chiral Ferrocene Derivatives from Sulfonamide-Directed ortho-Lithiation: Synthesis, Absolute Configuration, and Chiroptical Properties
Molecules,
26,
7694
Hydrodemethoxylation/Dealkylation on Bifunctional Nanosized Zeolite Beta
Pharmaceutics,
13,
2025
PEG-Modified tert-Octylcalix[8]arenes as Drug Delivery Nanocarriers of Silibinin
Molecules,
26,
6865
Chiral Aminoalcohols and Squaric Acid Amides as Ligands for Asymmetric Borane Reduction of Ketones: Insight to In Situ Formed Catalytic System by DOSY and Multinuclear NMR Experiments
Molecules,
26,
3576
Selective Production of Phenol on Bifunctional, Hierarchical ZSM-5 Zeolites
Micropor. Mesopor. Mat. ,
323,
111203
Hybrid catalyst with combined Lewis and Bronsted acidity based on ZrIV substituted polyoxometalate grafted on mesoporous MCM-41 silica for esterification of renewable levulinic acid
Comput. Mater. Sci.,
117,
109570
Chercher de l'eau: The switching mechanism of the rotary switch ethyl-2-(2-(quinolin-8-yl)hydrazono)-2-(pyridin-2-yl)acetate
Molecules,
25,
4687
NMR Profiling of North Macedonian and Bulgarian Honeys for Detection of Botanical and Geographical Origin
J. Photochem. Photobiol. A,
396,
112555
Cationic amino acids linked to Zn(II) phthalocyanines for photodynamic therapy: Synthesis and effects on physicochemical properties
Molecules,
25,
3987
Synthetic Analogues of Aminoadamantane as Influenza Viral Inhibitors—In Vitro, in Silico and QSAR Studies
Molecules,
25,
3410
Veronica austriaca L. extract and arbutin expand mature double TNF-alpha/IFN-gamma neutrophils in murine bone marrow pool
Amino acids,
52,
1559–1580
Synthetic analogues of memantine as neuroprotective and influenza viral inhibitors: in vitro and physicochemical studies
J. Mater. Sci,
28,
13799–13814
Fluoride etching of AlZSM-5 and GaZSM-5 zeolites
Eur. J. Pharm. Biopharm,
142,
460-472
Verapamil delivery systems on the basis of mesoporous ZSM-5/KIT-6 and ZSM-5/SBA-15 polymer nanocomposites as a potential tool to overcome MDR in cancer cells
Bioorg. Chem.,
90,
103028
Discovery of novel indole-based aroylhydrazones as anticonvulsants: Pharmacophore-based design
J. Mol. Liq.,
292,
111392
Tautomerism in folic acid: Combined molecular modelling and NMR study
Angew. Chem. Int. Ed.,
58,
5
Reactive Dimerization of an N-Heterocyclic Plumbylene: C-H Activation with PbII
Bioorg. Chem.,
85,
487-497
Anti-enteroviral activity of new MDL-860 analogues: Synthesis, in vitro/in vivo studies and QSAR analysis
Polym. Int.,
68,
9
Polyzwitterionic hydrogels as wound dressings with enzymatic debridement functionality for highly exuding wounds
ChemSusChem, 11,
10,
1612-1616
Going Beyond the Limits of the Biorenewable Platform: Unprecedented Sodium Dithionite Promoted Stabilization of 5-Hydroxymethylfurfural
Food and Chemical Toxicology, 111,
605-615
New iridoids from Verbascum nobile and their effect on lectin-induced T cell activation and proliferation
Applied Catalysis A: General,
560,
119-131
Efficient solid acid catalysts based on sulfated tin oxides for liquid phase esterification of levulinic acid with ethanol.

Equipment

Contact persona:

Prof. Dr. Pavletta Shestakova
☎ (02) 96 06 136

The equipment is maintained by project:

The NMR Centre is equipped with two modern NMR spectrometers:

Bruker Avance II+ 600 with available probeheads:
• 5 mm direct dual probehead (BBO, 31P - 109Ag/1H);
• 5 inverse triple probehead (TBI, 1H/31P - 109Ag/13C);
• 5 mm MIC-Diff30 diffusion dual probehead (1H/31P)for slow translational diffusion research;
• 4 mm CP/MAS dual probehead (31P - 15N/1H) for solid samples;
• 4 mm HRMAS dual probehead (1H/13C) for gels and soft materials; automatic sample feeding device.


Bruker DRX 250 probeheads:
• 5 mm direct dual probehead (BBO, 31Ð - 109Ag / 1H);
• 5 mm quattro probehead (QNP, 1Í, 13Ñ, 31Ð, 19F); with actively shielded Z-gradients.