BrainMap

Ms. Xenia Filip

PhD

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

Researcher

ResearcherID: B-5807-2011

Curriculum Vitae (16/01/2019)

Expertise & keywords

Universal Multiscale Simulations for Hydrogen Storage in Novel Materials Call name: Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-1309 2015 - 2017

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/ru194/index.html

Abstract:

The realization of efficient hydrogen storage in materials will have a tremendous impact on the fields of renewable energy and clean transportation. The most promising high uptake materials are based on the physisorbtion of the hydrogen which offers fast, reversible, energetically cheap storage. However, materials synthesized so far have poor ambient conditions performance due to the weak forces binding the molecular hydrogen. We will develop a universal multiscale simulation tool to aid the design of better hydrogen storage materials that will improve upon the state of the art simulations as follows. i) The polarization effects in electric fields will be included both at microscopic and macroscopic scales. ii) The weak interactions involved in the physisorbtion will be correctly treated at the ab initio level, thus revealing the most favorable microscopic features of the materials for hydrogen storage and ensuring the transferability of the code. iii) The simulation will be precise and transferable allowing in silico screening on a large class or materials, thus greatly reducing the experimental overhead. We aim to open the new research direction of electrically controlled hydrogen storage. We will design and then synthesize in the lab polarizable nanoporous materials with electrically tunable hydrogen storage properties based on covalent organic frameworks. We will assess the potential of these materials for industrial applications.

Rational design and generation of synthetic, short antimicrobial peptides. Linking structure to function Call name: Joint Applied Research Projects - PCCA-2011 call, Type 1
PN-II-PT-PCCA-2011-3.1-0595 2012 - 2016

Role in this project: Key expert

Coordinating institution: UNIVERSITATEA "ALEXANDRU IOAN CUZA" IASI

Project partners: UNIVERSITATEA "ALEXANDRU IOAN CUZA" IASI (RO); INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO); INSTITUTUL NATIONAL DE CERCETARE - DEZVOLTARE PENTRU FIZICA SI INGINERIE NUCLEARA " HORIA HULUBEI " - IFIN - HH (RO); UNIVERSITATEA BABES BOLYAI (RO)

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

Project website: http://www.science.research.uaic.ro/biopep/

Abstract:

Antimicrobial peptides (AMPs) are an integral part of the immune system and protect a host from invading pathogenic bacteria. To overcome the problem of antimicrobial resistance, AMPs are being considered as potential alternatives for antibiotics. Although over 1000 AMPs have been isolated and characterized from various hosts, only limited successes have so far been achieved in clinical trials. The major hurdles for converting them into drugs lie in the high cost of production, toxicity to host cells, and susceptibility to proteolytic degradation. Therefore, a better understanding of the structure–activity relationships of AMPs is required to facilitate the design of novel antimicrobial agents. Herein we plan to focus our effort on designing and optimizing novel short, cationic amphiphilic peptides. We will undertake rational design, synthesis, and extensive testing of a series of short cationic peptides, we envision proteolityc and salt resistant. They will be made of a limited set of L- and D-aminoacids based on an elementary amphipathic templates of up to to 11 aminoacids, searching for the minimum number of aminoacids and optimal architecture able to confer the peptide optimal lytic activity and specificity against various pathogens. In order to enhance antimicrobial activity with no additional hemolytic activity, peptide synthesis will be considered by using non-natural amino acid analogs that will substitute hydrophobic residues leucine, isoleucine and phenylalanine. This group of peptides will be designed and synthesized with shorter sequence and simpler molecular structure and could be easily modified upon a particular requirement. The structural simplicity also offer technological advantages for mass production and purification.

Open School for Academic Self-Improvement. Research, Academic Writing and Career Management Call name: Joint Applied Research Projects - PCCA-2011 call, Type 1
PN-II-PT-PCCA-2011-3.1-0682 2012 - 2016

Role in this project: Key expert

Coordinating institution: UNIVERSITATEA BABES BOLYAI

Project partners: UNIVERSITATEA BABES BOLYAI (RO); 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.econ.ubbcluj.ro/~rodica.lung/openres

Abstract:

Research management, research career development and academic writing have become in later days prerequisites for successful academic track records and/or research careers. Formal and informal support programs are already in place in many of the top universities worldwide. Nevertheless, in Romania, such an approach has not been yet prospected and tested. The project proposes to build and expand the research capacity at both undergraduate and graduate level, helping students and researchers not only to improve their research skills but also their capacity to manage and communicate research (through research management, career management and academic writing).An interdisciplinary group will be created at the end of the project implementation, which will have a comprehensive set of tested instruments, competencies and the necessary know-how for carrying out a Complex Research Competencies training program. Once developed and tested the open training program may become a cornerstone in the future academic and research career development of researchers, weather at the beginning of their career or more advanced ones. While keeping the open school concept, the project team will promote and propose that the program becomes a permanent offer for the academic community and to be included as a transversal skills development program for the various faculties within the Babes-Bolyai University. The partner in the project, INCDTIM Cluj, will continue to provide expertise in the hard sciences component of the program. If such decision is reached, the CRC training program will contribute to the creation, development and further advancement of the Romanian academic community, especially those at the beginning of their research career. This will create, on a long run, a pool of better prepared and trained candidates for research positions within the structures of the two partners.

Ion sensing and separation through modified cyclic peptides, cyclodextrins and protein pores Call name: Complex Exploratory Research Projects - PCCE-2011 call
PN-II-ID-PCCE-2011-2-0027 2012 - 2016

Role in this project: Key expert

Coordinating institution: “Alexandru Ioan Cuza” University

Project partners: “Alexandru Ioan Cuza” University (RO); National Research and Development Institute of Isotopic and Molecular Technologies (RO); “Babes-Bolyai” University (RO); “Horia Hulubei” National Institute for Physics and Nuclear Engineering (RO); “Carol Davila” University of Medicine and Pharmacy (RO)

Affiliation: National Research and Development Institute of Isotopic and Molecular Technologies (RO)

Project website: http://science.research.uaic.ro/biosens/

Abstract:

Development of nanostructures capable of detecting and separating individual molecules and ions has become an important field of research. Particularly, protein-based nanostructures are attractive due to their ability for tunable molecular recognition and ease of chemical modification, which are extremely important factors on various applications. In this project, self-assembly functionalization will be approached, aimed at providing an efficient design for molecular recognition, ion sensing and separation, through new host-guest chemical methodologies, bio-nanofabrication and physicochemical manipulations methods. New crown ether type macrocycles, functionalized cyclodextrins and cyclic peptides will be engineered to work as specific molecular adaptors for the -hemolysin protein, giving rise to hybrid molecular superstructures possessing ion sensing and selectivity properties. The size and functionality of the macrocycles are targeted to ensure the anchorage in the pores and the selectivity of specific host-guest complexation processes. A surface detector array device suitable for use with a biosensor is envisioned, through ink printing nanotechnologies. The device architecture will be formed of a substrate having a surface defining a plurality of distinct bilayer-compatible surface regions separated by one or more bilayer barrier regions. Custom designed nanoscale bilayers containing selected receptors through cyclodextrins derivatives and macrocyclic peptides, self-assembled on different micro-nano arrays surfaces (polymers, Au or Si) will be fabricated. Further engineering of such functionalized nanomaterials based on molecular recognition and host-guest methodologies, in conjunction with flexible and mechanically robust enough substrate platforms, have the great potential for applications such as separation of nanoparticles, sensors, drug delivery, removal of heavy metals from aqueous solutions and chiral separation.

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