BrainMap

Alex-Adrian Farcas

- INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M

Researcher

Expertise & keywords

Metal Complexes of Polycarboxylate Polymers: synthesis and characterisation Call name: P 5.2 - SP 5.2.1 - Proiecte de cercetare pentru stimularea tinerelor echipe independente - Competiția 2023
PN-IV-P2-2.1-TE-2023-0129 2025 - 2026

Role in this project:

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M

Project partners: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)

Affiliation:

Project website: https://www.itim-cj.ro/PNCDI/metalc/

Abstract:

Tartaric acid, 4-hydroxymandelic acid and 3-(3,4-Dihydroxyphenyl)-L-alanine are organic compounds which upon polymerization under controlled conditions leads to formation of acidic polymers. Such multifunctionalyzed polymers are of interest due to their ability to coordinate to different metals and to form cross-linked frameworks. The role of the type of metal ion, the presence or absence of the solvent, the type of solvent and temperature, in the synthesis of these compounds will be identified. Due to the moderate solubility of chosen polymers the mechanochemistry (ball milling) and solvothermal methods will be used for their synthesis.

The formation of new complexes will be determined firstly by IR and XPS spectroscopy, X-ray powder diffraction (XRD), TEM, SEM/EDX measurements and electron paramagnetic resonance (EPR). Moreover, it will be attempted to get single crystals good enough for X-Ray diffraction. Also, a full theoretical investigation will be done for the obtained complexes to have a better understanding of the structure - properties relationship. Thermogravimetric analysis (TGA) and thermal conductivity of new complexes will be studied and compared with data obtained for non-complexed polymers.

These new complexes present interesting physical and chemical properties due to the presence of metal ions and the structure of the polymer like good thermal conductivity, elasticity, tunable porosity with further various applications.

Adaptive Design and Assembly of Polymer-based nanoplaTforms for smart gene and drug delivery Call name: P 5.2 - SP 5.2.1 - Proiecte de cercetare pentru stimularea tinerelor echipe independente - Competiția 2023
PN-IV-P2-2.1-TE-2023-0300 2025 - 2026

Role in this project:

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M

Project partners: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)

Affiliation:

Project website: https://www.itim-cj.ro/PNCDI/adapt4dlvry/

Abstract:

Recent breakthroughs in gene therapy have cleared the way for a larger second wave of medicines and established the groundwork for next-generation technologies. An effective gene delivery system is essential for gene therapy to be successful. As some of the most adaptable building blocks in soft nanotechnology, natural and synthetic macromolecules are the main focus in the development of delivery vectors with specialized compositions and functions. In this project, we propose a novel computational approach to smart tune polymers and/or nanocomposite architectures as efficient building blocks for polymer-based nanoplatforms (PBNs). We will (i) create delivery vectors depending on the gene or drug that needs to be delivered while reducing the socio-economic burden of various diseases. We will also (ii) develop a novel protocol to find drug-excipient combinations that produce stable, self-assembled polymer-based nanoplatforms as smart delivery vectors. These will represent the scaffold that is needed to shift from the traditional drug/gene delivery to personalized medicine. Cutting-edge developments in artificial intelligence and state-of-the art modeling approaches will be all combined in the adaptive design of the polymer-based nanoplatforms in a synergistic fashion and show how computational modeling can lead to the discovery of novel delivery vectors with technological applications.

Photochemical behavior of some polydopamine-based nanostsuctures Call name: P 4 - Proiecte de Cercetare Exploratorie, 2020
PN-III-P4-ID-PCE-2020-0770 2021 - 2023

Role in this project:

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M

Project partners: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)

Affiliation:

Project website: https://www.itim-cj.ro/PNCDI/photopolydopa/

Abstract:

The present project proposes to elaborate a detailed experimental and theoretical investigation in order to characterize in details the photochemical behavior of the polydopamine-based nanostructures. To achieve this goal, femtosecond time-resolved spectroscopy techniques (transient-absorption and time-resolved fluorescence) as experimental- and the density functional theory (DFT) and its linear response time-dependent (TDDFT) version will be considered as the theoretical framework to reveal the absorption efficiency of the electromagnetic field starting from the simpler dopamine to the more complex polydopamine (PDA) polymer structures, about the time scale of the excited state relaxation dynamics and the role of the graphene and TiO2 substrates on these photochemical processes of PDA. In the first period of the project implementation, the simple case of dopamine molecule will be analyzed. This investigation will be followed by a detailed description of the photochemical processes in PDA oligomers, oligomer aggregates and oligomer aggregates of PDA analogues. Finally, the more complex cases of PDA coated graphene and TiO2 nanostructure will be explored and the role of the substrates on the photochemical properties of the PDAs will be drawn up. Based on the system-level analyzes one can provide a comprehensive picture of photochemical properties of the PDA-based nanostructures that can be used to develop new materials with special properties.

Design of some spin-crossover supramolecular structures controlled by ultrashort laser pulses Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0208 2017 - 2019

Role in this project: Key expert

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M

Project partners: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)

Affiliation: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)

Project website: http://www.itim-cj.ro/pncdi/lascro/index.html

Abstract:

The present project proposes to elaborate a detailed theoretical framework for laying out different supramolecular complexes with well-defined properties based on the spin crossover effects. To achieve this goal, the density functional theory (DFT) and its linear response time-dependent (TDDFT) version will be considered as the theoretical framework to describe different electronic excited states in “low” and “high” total spin configuration. In the first period of the project implementation, the validation of the used theoretical model will be carried out through the comparison with already existing experimental measurements. This investigation will be followed by a detailed description of the physical phenomena of the laser induced spin transition in organometallic complexes which mainly includes: theoretical characterization of the molecular electronic excited states; description of the radiation decay pathways and localization of the intersystem crossing points; calculation of the spin-orbit couplings. After the successful validation and development of the theoretical framework, several metal-ligand structures will be investigated in order to design metal-coordinated macrocycles with efficient spin transitions driven by the external laser field in a controlled manner. Each case of metal-coordinated macrocycles will be characterized in detail and the most promising candidates will be selected for chemical synthesis. After the successful synthesis, the macrocycle compounds will be investigated using different spectroscopy techniques, like UV-Vis, transient absorption or Raman in order to characterize their spin crossover properties. Based on these analyses the most important feature of the spin crossover complexes, namely the ligand bond length variation driven by an external laser field in a controlled manner, will be applied in case of sulfonated coordination polymer networks to build molecular materials with special properties.

FILE DESCRIPTION	DOCUMENT
List of research grants as project coordinator or partner team leader
Significant R&D projects for enterprises, as project manager
R&D activities in enterprises
Peer-review activity for international programs/projects