BrainMap

Niculina Daniela Hădade (previous name Bogdan)

Dr.

Associate Professor - UNIVERSITATEA BABES BOLYAI

Researcher | Teaching staff | Scientific reviewer

Curriculum Vitae (12/03/2020)

Expertise & keywords

Cationic Covalent Organic Frameworks as Anion Exchange Membranes for Electrochemical Energy Applications - COFFEE Call name: P 3 - SP 3.2 - Proiecte ERA.NET - COFUND
COFUND-M-ERANET-3-COFFEE 2022 - 2024

Role in this project:

Coordinating institution: UNIVERSITATEA BABES BOLYAI

Project partners: UNIVERSITATEA BABES BOLYAI (RO); SINTEF AS (NO); Centre National de la Recherche Scientifique - Institut Européen des Membranes (FR)

Affiliation:

Project website: http://www.chem.ubbcluj.ro/~ccsoom/organic/eranet.html

Abstract:

The anion exchange membranes (AEMs) remain plagued by either low stability in an alkaline environment or low ionic conductivities. This project proposes to overcome these challenges for water electrolysers and zinc-air batteries by the careful consideration of the chemical structure of both the polymer backbone and the cationic head group. The COFFEE project addresses these challenges by proposing a novel class of AEMs based on covalent organic frameworks (COFs) to promote enhanced membrane stability, conductivity, and selectivity. The development of durable, high-performance AEMs will push these developmental technologies closer to commercial viability and the successful commercialization of low-cost electrolyser and battery technologies will contribute to the widespread adoption of renewable energy solutions and directly support Europe's greenhouse gas emission reduction targets

Functionalized hierachical structures on graphene exhibiting magnetic, adsorption and catalytic properties Call name: P 4 - Proiecte Complexe de Cercetare de Frontieră
PN-III-P4-ID-PCCF-2016-0088 2018 - 2022

Role in this project:

Coordinating institution: UNIVERSITATEA BUCURESTI

Project partners: UNIVERSITATEA BUCURESTI (RO); UNIVERSITATEA BABES BOLYAI (RO); UNIVERSITATEA BABES BOLYAI (RO); UNIVERSITATEA BUCURESTI (RO)

Affiliation: UNIVERSITATEA BABES BOLYAI (RO)

Project website: https://www.chimie.unibuc.ro/cercetare/anorganica/PN-III-P4-ID-PCCF-2016-0088/PCCF_M%20Andruh_2022.pdf

Abstract:

The present research proposal aims to develop a series of directions which are less or non-explored to date in the chemistry of graphene. Its objectives rely on the experience of the four participants in organic synthesis, organometallic chemistry, molecular magnetism and catalysis. The project will stimulate not only the enhancement of the value of previously synthesized compounds by the partners, but also the development of an original chemistry. The hierarchical organization of organometallic – classical transition metal complexes on graphene surface is a step forward in materials science. The design of 3-D frameworks incorporating graphene is original and opens interesting perspectives for applications. The grafting of magnetic and luminescent complexes on graphene could bring an important added value in molecular magnetism. The catalytic processes to be investigated are carefully selected, in order to address important problems in organic synthesis, environmental protection and energy. The project will focus on the following major objectives: (i) design of networks by covalent connections between the decorated graphene sheets; (ii) design of graphene-based hybrid materials with appropriate organometallic/metalloid units as ligands for transition metals; (iii) single molecule magnets and luminescent molecules grafted on graphene; (iv) functionalization of graphene with macrocycles, cryptands and rotaxanes for organocatalytic reactions; (v) development of multifunctional catalysts for controlled cascade reactions; (v) applications in catalysis (the valorization of the CO2 emissions; the hydrogenation of nitro-alkenes and mixtures of acetylene-ethylene; C-C and C-N coupling reactions) and gas sorption. A special attention in these studies will be addressed to the investigation of the catalytic mechanisms.

Dynamic synthesis of shape-persistent 3D-organic cages with large internal cavities Call name: Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-0727 2015 - 2017

Role in this project: Project coordinator

Coordinating institution: UNIVERSITATEA BABES BOLYAI

Project partners: UNIVERSITATEA BABES BOLYAI (RO)

Affiliation: UNIVERSITATEA BABES BOLYAI (RO)

Project website: http://www.chem.ubbcluj.ro/~ccsoom/organic/te0727.html#results

Abstract:

Development of 3D molecular organic cages with large internal cavities has emerged as an important research area of supramolecular chemistry mainly due to their usefulness as host molecules with enhanced guest binding properties, nanoporous materials with well-defined pores and large internal surface area as well as sensors. Among the most important challenges in the achievement of such molecules we can mention their laborious multi-step synthesis and the difficulty to preserve the integrity of the internal cavity in the solid state. Herein, we propose the design and synthesis of rigid and semi-flexible naphthalene diimide-based 3D cage molecules with trigonal prismatic, square prismatic and hexagonal prismatic geometries as proper candidates to obtain materials with improved gas absorption capacities as well as selective receptors for organic small molecules. Moreover, considering the electronic and spectroscopic properties of the naphthalene diimide units, the proposed structures meet the requirements of molecular sensors. One-pot or sequential dynamic synthesis using imine exchange and/or alkynes metathesis reversible reactions in a classical dynamic covalent chemistry (DCC) process will be used in order to achieve the target structures. In addition, taking advantage of the orthogonality between the imine formation and alkynes metathesis, an Orthogonal Dynamic Covalent Chemistry (ODCC) strategy shall also be used for the synthesis of the cage compounds.

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:

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: UNIVERSITATEA BABES BOLYAI (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.

Innovative Mechanically Interlocked Molecules: Design, Synthesis, Properties and Molecular Devices Call name: Exploratory Research Projects - PCE-2012 call
PN-II-ID-PCE-2012-4-0248 2013 - 2016

Role in this project:

Coordinating institution: UNIVERSITATEA BABES BOLYAI

Project partners: UNIVERSITATEA BABES BOLYAI (RO)

Affiliation: UNIVERSITATEA BABES BOLYAI (RO)

Project website: http://www.chem.ubbcluj.ro/~ccsoom/organic/id248.html

Abstract:

The major goals of this project are the synthesis, structural investigations and elaboration of the mechanism of work for molecular devices based on mechanically interlocked molecules exhibiting new cryptand units. The target cryptands show three or four chains and are built up using 2,4,6-triaryl-1,3,5-triazine, tetrasubstituted pyrenes or biphenyls as caps and disubstituted 1,10-phenantrolyne or 2,2’-bipyridine units as chains. The positions of the heterocyclic units in the chains allow the complexation of other similar heterocyclic derivatives with Cu+, Ag+,Zn2+ either inside (for IN-chains) or outside (for OUT chains) the cavity of the cryptand. The connection of the guest complexed heterocyclic units ones to the others in the all-IN cryptands leads to the formation of interlocked entities having macrocycles entrapped in the cavity of the cryptands. The same bonding with the outside guests (all OUT cryptands) form entities with cryptands entrapped in the cavity of the macrocycles (they are [2]rotaxanes having the cryptand as axle). For the cryptands with mixed chains (IN and OUT chains) the formation of the macrocycles with the guest units leads to [2]cryptocatenands or knotted [2]cryptocatenands [interlocked cryptands with (knotted) macrocycles]. The macrocycles can rotate (either inside or outside the cryptand) or can wind around the chains, the motion of the macrocycles can be chemically or electrochemically controlled and the target compounds are molecular ROTORS.

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:

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: “Babes-Bolyai” University (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.

DYNAMIC CONSTITUTIONAL CHEMISTRY: HYDROGEN BONDING AND/OR PI-STACKING DIRECTED SYNTHESIS AND AMPLIFICATION OF NEW SYNTHETIC RECEPTORS FOR BIOLOGICALLY ACTIVE COMPOUNDS Call name: Projects for Young Research Teams - TE-2010 call
PN-II-RU-TE-2010-0314 2010 - 2013

Role in this project: Project coordinator

Coordinating institution: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA

Project partners: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA (RO)

Affiliation: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA (RO)

Project website: http://www.chem.ubbcluj.ro/~ccsoom/organic/te314/index.html

Abstract:

Supramolecular chemistry and, in particular, dynamic constitutional chemistry (DCC), has developed as a new transdisciplinary research field. There are three main research areas that use the principles of DCC: (a) identification of bioactive substances; (b) the development of dynamic materials; (c) design of synthetic receptors. Herein, we propose to use the various concepts of the supramolecular chemistry, DCC and biochemistry for identification of new dynamic, selective and adaptative molecular receptors for biologically active compounds. Despite the significance of the π-stacking interactions and/or hydrogen bonding for the molecular recognition of biological receptors, less attention has been paid to their use for the identification and amplification of selective synthetic receptors. The project main goal is to use a biologically active compound for the induced selection and amplification of the fittest receptor from a dynamic constitutional library (DCL) of potential receptors, making use of subunits capable of molecular recognition through π-stacking interactions and/or hydrogen bonding between the receptor and the biologically active compound (host-guest complex). To build the DCLs, we turned to the acylhydrazone exchange reaction due to its chemoselectivity, pH-control and reversibility. Once the DCLs equilibrium is reached, the guest molecule (bioactive substance) is added and this will generate amplification of the best binder. Identification, isolation and analysis of the fittest receptor for the guest molecule will then follow. The project also proposes identification of the selective receptors for biologically active compounds in aqueous medium in order to improve their activity under physiological conditions.

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