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Laboratory 3. Polycondensation and Thermostable Polymers
Head of laboratory: Dr. Luminița MARIN
Topics Team Main Results Research Groups
Group 3.4: Correlation of environmental and stress factors in plants and animals with NMR metabolomics and structural studies

Dr. Alina NICOLESCU

Research activities: 

- Structural studies for organic, macromolecular and organometallic compounds; 

- Stereochemistry and intra-/ inter-molecular interactions; 

- Human, vegetal and animal metabolomics; 

- Human and animal lipidomics; 

- NMR analytical services; 

 

Main results:

 

Studies of N-oxidation and solvent induced 15N NMR chemical shifts at natural abundance by H,N-HMBC spectra. 

 

N-Se coordinate bond was proven by NMR long distance indirect correlation over one nitrogen atom (H,Se-HMBC).

Diagnosis of rare metabolic diseases in the first days or weeks of life is critical for the development of the child. Success of emergency therapy depends on prompt institution of metabolic stabilization. 

Above a healthy and happy child from the control group. Spectrum and graph below exemplify the NMR identification of methylmalonic aciduria (MMA) markers in urine and the patient monitoring over a longer period of time. 

Mechanistic studies.

Fine tuning the outcome of 1,3-dipolar cycloaddition reactions of benzimidazolium ylides to activated alkynes. 

Mechanistic studies of one-pot three component 1,3-dipolar cycloadditions explored by NMR spectroscopy.

Structure of heterocycles proven by undecoulpled H,C-HSQC spectra which allow extraction of individual signals from crowded 1H NMR spectral regions. 

Cerebrospinal fluid (CSF) provides key information for central nervous system (CNS) pathologies. However, due to invasive sampling procedures and ethical issues, it is difficult to establish healthy control groups for CSF databases. Among all animal species, the dog presents a great number of similarities with humans, many of the pathological conditions of the human CNS being also met in dogs. NMR provides a unique tool for multimarkers determination in CSF. Spectrum below exemplifies assignments of NMR signals from the first published study for simultaneous quantification of 13 metabolites in CSF of dogs. 

Complexations of cyclodextrins with various compounds have been studied and both the geometry and the stoichiometry of the inclusion complexes have been determined by NMR spectroscopy. 

NMR metabolomics on wild Arnica montana was able assign samples from various parts of the plant (leaves, flowers and strains) as well as geographical areas from Eastern Carpathians.

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