BrainMap

Andreea Neacsu

- INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Researcher

Expertise & keywords

Acoustic wave based discrimination of ZnO gases sorbtion in variable ambiental conditions Call name: P 4 - Proiecte de Cercetare Exploratorie, 2020
PN-III-P4-ID-PCE-2020-1822 2021 - 2023

Role in this project:

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA LASERILOR, PLASMEI SI RADIATIEI - INFLPR RA

Project partners: INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA LASERILOR, PLASMEI SI RADIATIEI - INFLPR RA (RO)

Affiliation:

Project website: https://cetal.inflpr.ro/newsite/pce_93

Abstract:

ZnO is a n-type semiconductor material (3.2 eV) with a good chemical stability. Depending on the ambient conditions, some surrounding gases could be absorbed or adsorbed by the material changing its properties. While existing independent parameter influence studies are sometimes not relevant for the material behavior under combined influences, the present project propose a correlated investigation of the sorption of different gases and mixtures under different ambient condition. A surface acoustic waves (SAW) sensor with controlled active area geometries of ZnO nanostructures zones and morphologies is proposed to be used for monitoring the absorption and adsorption process of different gases. Computer simulations (LAMPS) will be used for modeling the gases sorption processes and understanding the influence of ambient condition for different nanostructure morphology as well as cross influences in the case of gas mixtures. Effective discrimination between different gases sorption in the complex (but otherwise real !) case of gas mixtures and variable ambient conditions will relay on machine learning (Deep Learning) data processing of Furier frequency analysis of SAW sensors real-time response in such conditions. While discriminative gas sensing is an intrinsic application of these studies more fundamental advances in understanding absorption/absorption processes in relation with ambient conditions and other contaminants are expected to be achieved.

TARGETED MULTIFUNCTIONAL NANOEMULSIONS TO INTERRUPT METASTATIC PROGRESSION Call name: P 3 - SP 3.2 - Proiecte ERA.NET - COFUND
COFUND-ERANET EURONANOMED 3-METASTARG 2019 - 2022

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); Consorcio Centro de Investigación Biomédica en Red, M.P. (ES); Aptus Biotech S.L. (ES); Internattional Iberian Nanotechnology Laboratory (PT); Fondazione IRCCS Istituto Nazionale dei Tumori (INT) (IT); Stanipharm (FR)

Affiliation: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Project website: http://www.icf.ro/pr_2019/METASTARG/index.html

Abstract:

Metastases are the major cause of death in cancer patients with solid tumors. In Non-Small Cell Lung Cancer (NSCLC), highly metastatic locally and in distal organs, the 5-year mean survival is lower than 5% in the metastatic setting. Occult micrometastases (OM) are, by definition, small clusters of metastatic cells, and can only be detected by highly invasive molecular methods, remaining largely untreated and eventually leading to the formation of metastases. Early detection of OM and treatment can interrupt progression to macroscopic metastasis, and ultimately improve survival.

METASTARG is an innovative solution relying on nanotechnology for the early detection and treatment of OM to cause a direct impact in the survival of the disease, quality of life, and health-economics. METASTARG Nanoemulsions are developed to identify OM by novel characteristic targets found in metastatic cells and Interrupt Metastasis Progression (NIMPs). This unique patient-driven approach has the potential to become a gold standard in the treatment and monitoring of NSCLC cancer.

We have developed sphingomyelin nanoemulsions (SN) that are easy to manufacture, stable, non-toxic, and can incorporate active ingredients and radionuclides. We have surface-decorated them with ligands to mediate a specific interaction with the biomarker Taste receptor type 1 member 3 (TAS1R3), identified by molecular analysis of metastatic cancer cells isolated from the blood of patients with NSCLC (Circulating Tumor Cells, CTCs). In this project, we address a multidisciplinary and translational research to i) optimize the technology to develop NIMPs with the ultimate aim of improving patient survival, ii) understand the biophysics of targeting metastasis to improve NIMPs interaction with OM, iii) generate the proof-of-concept for NIMPS activity in relevant in vitro and in vivo models representative of the micrometastatic situation in NSCLC, and iv) advance in the translation of NIMPs to a clinical setting.

Combined Experimental and Computational Framework for the Hydrogen Storage on Magnesium-based Nanoparticles Call name: P 2 - SP 2.1 - Proiect experimental - demonstrativ
PN-III-P2-2.1-PED-2019-4816 2020 - 2022

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); INSTITUTUL NATIONAL DE CERCETARE - DEZVOLTARE PENTRU FIZICA MATERIALELOR BUCURESTI RA (RO)

Affiliation: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Project website: http://www.icf.ro/pr_2019/CEAF-HySTO/index.html

Abstract:

Molecular simulations can help us to understand the microscopic origins of the investigated properties and phenomena and to orient the experiment design and the materials synthesis. Unfortunately, the electronic structure methods are computationally expensive and there not yet developed accurate empirical force fields (EFF) for magnesium hydride nanosystems.

The main goal of the present proposal of project is to attain a research framework for the understanding of the hydrogen interaction with Mg-based bulk and nano-systems and of the formation and decomposition of MgH2, which is seen as the main solution for hydrogen storage. The main objectives of the project are:

(i) the parameterization of an accurate EFF of type ADP (Angular Dependent Potential) for the hydrogen-magnesium interaction, which has to be transferable from bulk (liquid, polymorphs) Mg and MgH2 to their surfaces, interfaces and nanosystems. The ADP force field has to be able to predict the shapes of the MgHx nanoparticles (with a different contents x of hydrogen) that will be identified by the experimental investigations, for different particle-sizes. The Wulff techniques will be used to construct the nanoparticles, based on the surface energies of the most faces of the Mg and MgH2 polymorphs, calculated by DFT and ADP methods,

(ii) the design of proper analysis methods for the characterization of structural, dynamic, vibration properties of the nanoparticles with different degrees of hydrogenation, as well as the hydrogen (de)sorption and diffusion into the magnesium nanoparticle during the Molecular Dynamics simulations of hydride formation and decomposition,

(iii) the including of the analysis software as an user module in the simulation code LAMMPS, which is one of most performing simulation software, designed for High Performance Computing.

(iv) the use of the parameterized force field in the frame of the project for guiding the synthesis of the pristine and confined Mg-based nano-hydrides.

Research of the bone substitution with biocomposite materials processed by powder metallurgy specific techniques Call name: Joint Applied Research Projects - PCCA 2013 - call
PN-II-PT-PCCA-2013-4-2094 2014 - 2017

Role in this project:

Coordinating institution: UNIVERSITATEA DIN CRAIOVA

Project partners: UNIVERSITATEA DIN CRAIOVA (RO); TEHNOMED IMPEX CO S.A. (RO); SPITALUL CLINIC DE URGENTA " BAGDASAR-ARSENI " (RO); INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA LASERILOR, PLASMEI SI RADIATIEI - INFLPR RA (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); UNIVERSITATEA POLITEHNICA DIN BUCURESTI (RO)

Affiliation: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Project website: http://mecanica.ucv.ro/Cercetare/BONY/index.html

Abstract:

The research proposal is entitled “Research of the bone substitution with biocomposite materials processed by powder metallurgy specific techniques”, acronym BONY. Its general objective is to obtain advanced biocomposite materials, based on hydroxyapatite (HAP) matrix reinforced by Ti-based powder particles. The osseointegration process is accelerated by the natural organic esters of Bor, as a component of the biocomposite powders mixture. The applications aim the bone substitution by small-sized reconstructions for skull and vertebrae body.

BONY project matches the priority domain 7 (Materials, innovative processes and products), research area 7.1 (Advanced materials), research topic 7.1.6 (Advanced materials and biomaterials for life quality improvement (health, sport, education etc.)).

The project relevancy is underlined by the necessity to elaborate bone implants for skull and vertebrae by advanced biocomposites, with improved osseointegration capacity to the adjacent native bone tissue. Also, the technical and economical savings are important as far as the processing technologies concern.

The BONY project results are:

1. the innovative biocomposite material as bulk product for vertebral implant processed by micro-injection moulding technique;

2. the innovative biocomposite material as coating for skull implant processed by MAPLE technique on Titanium substrate;

3. the innovative material and method to accelerate the osseointegration process of the bone implants.

The innovative/original aspects of the BONY project are represented by:

- the innovative combination of metallic and ceramic powders, micrometric and nanometric sized. The advanced sintering techniques as well as the coating ones provide hybrid structured biocomposites that assure improved physical, mechanical, technological and biochemical properties relative to the native bone.

- using, for the first time, of the micro-injection moulding technique, to process complex shaped and small sized bone implants;

- the original an innovative application of MAPLE coating technique to process hybrid biocomposite coatings on Ti substratewith similar properties to the bulk biocomposites type.

- the original method to accelerate the osseointegration process by using special additives, Bor natural organic esters, in special technological procedures.

The BONY implant biocomposites provide the following advantages as follow: resorbability, geometrical stability, improved lifetime, micro-machinability for final geometrical adjustments, able to be processed as complex shapes and small dimensions, improved osseointegration.

The impact of the project results may be evaluated from the following points of view: scientifical (innovative biocomposite materials), technological (suitable processing technologies to the implants shape and size), research human resources training (young Ph.D. students or graduated, members of consortium), economical and social (improving the patient’s life quality).

The quality, expertise and research, innovative and entrepreneur skills of the BONY partners assure the successful fulfilment of the project objectives. The BONY consortium is represented by: CO – University of Craiova (UCV); P1 - S. C. Tehnomed Impex Co S.A., Bucuresti (IMM); P2 – The Emergency Clinic Hospital „Bagdasar-Arseni”, Bucharest; P3 – The National Institute for Laser, Plasma & Radiation Physics (INFLPR), Bucharest ; P4 – « Ilie Murgulescu » Institute of Physical Chemistry of the Romanian Academy (IPC), Bucharest ; P5 – Politehnica University of Bucharest (UPB).

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