BrainMap

Noemi Deak

Lecturer - UNIVERSITATEA BABES BOLYAI

Researcher | Teaching staff

Web of Science ResearcherID: not public

Expertise & keywords

Stable metallylene species. From design to applications. Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0351 2017 - 2019

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/pagini/anorganica/clcpe/research_grants_ro.html

Abstract:

The chemistry of metallylenes, heavier analogues of carbenes, has received an increased interest over the last decades, especially since the new advances in organometallic chemistry allowed the synthesis and stabilization of what were previously considered „exotic” species, like silylenes, germylenes and even stannylenes. This type of compounds are important species both for the fundamental knowledge in the organometallic chemistry of p-block elements but also for their possible use, especially in activation of small molecules as well as for the design of novel semiconductors and transition metal complexes. The main objective of the project consists in the design and synthesis of new heavier analogues of carbenes, stabilized either by using pincer-type ligands based on sulfur, phosphorus or mixture of both, or by introduction of the :E(II) (E = Si, Ge, Sn) in an aromatic or pseudo-aromatic cycle. Our previous results in germylene and stannylene chemistry encourage our plan to extend this research. Not only the sulfonyl, but also the sulfinyl or mixed sulfonyl - sulfinyl moieties will be used, as well as newly designed phosphorus based pincer ligands with donor groups as phosphavinylideneoxophosphorane and evaluate their influence on the stability of metallylenes. The coordination ability will be assessed by bonding of the newly designed metallylenes to transition metal fragments. The bonding modes to various Lewis acids will also be investigated. All the designed compounds will be completely characterized not only by the usual physicochemical methods, but also a complex computational study in order to determine the role and the relevance of all factors involved in the stabilization of the new low-valent systems. Given our experience in this field and the promising results obtained so far, we are convinced that we can lead to successful completion of this project obtaining in the end, the desired results.

Molecular metal clusters: bridging the gap between small molecules and nanocrystals Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0089 2017 - 2019

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/~alupan/PCE/PCE-0089.htm

Abstract:

Metal clusters have received increasing attention in the recent years owing to their unique properties that bridge a gap between small molecules and nanocrystals, as well as potential applications in numerous areas including catalysis, biomedicine, electronic and optical materials. Transition metals are capable of exhibiting high coordination numbers and do not necessarily obey the classical electron counting rules. The proposed research uses density functional theory methods to explore structure, bonding, thermochemistry, and chemical reactivity of various metal clusters. Such systems often exhibit unprecedented structures based on unusual polyhedra not otherwise found in chemistry. Our research project is concentrated in six areas: cyclopentadienylmetal clusters of the transition metals, incorporation of interstitial atoms in transition metal clusters, coinage metal clusters with external chelating sulfur ligands, assessment of the effect of substituting coinage metal atoms such as gold and silver with various main group heteroatoms, and evaluation the systematics of organogallium and organoindium clusters.

Polyhedral metallaboranes: metal clusters stabilized in borane matrices Call name: Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-1197 2015 - 2017

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/~alupan/TE2014/TE-2014-4-1197.htm

Abstract:

Incorporating transition metals into a borane cage creates novel metal environments that modify their reactivity and hence their catalytic properties. Molecules based on such systems have potential applications in homogenous catalysis. Related metallaboranes with metal carbonyl vertices are potentially useful as precursors for the preparation of special metal boride materials with novel electronic, magnetic, and optical properties. Our recent studies have focused on such systems, with theoretical predictions that agree well with experimental data on numerous derivatives – thus confirming the reliability of our methods. The general objective of this research project is understanding the structure, bonding, thermochemistry, and chemical reactivity of polyhedral metallaboranes, particularly those containing two or more transition metal vertices. To this end, density functional theory methods will be employed on various families of transition metal boranes. The research will focus on the study of internal and surface metal-metal bonding in dimetallaborane clusters of Ni and Mn, as well as on recently-reported hydrogen-rich oblatonido species having more open polyhedral structures, borane iron carbonyl derivatives, metallathiaboranes, trimetallaboranes and supraicosaheral systems. The influence of external factors, from solvation to interaction with biological ligands, including metallaborane-protein binding of potential medical importance, will also be examined.

BIOMEDICAL APPLICATIONS OF METAL COMPOUNDS METALLOMICS Call name: Complex Exploratory Research Projects - PCCE-2008 call
PN-II-ID-PCCE-2008-0140 2010 - 2013

Role in this project:

Coordinating institution: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA, CENTRUL DE CHIMIE ORGANOMETALICA

Project partners: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA, CENTRUL DE CHIMIE ORGANOMETALICA (RO); UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA, LABORATORUL DE MODELARE MOLECULARA (RO); UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA, LABORATORUL DE CARACTERIZARE A COMPUSILOR ORGANOMETALICI (RO); UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, INSTITUTUL DE CERCETARI EXPERIMENTALE INTERDISCIPLINARE, LABORATORUL DE CERCETARI IN ELECTROCHIMIE, CENTRUL DE ANALIZE FIZICO-CHIMICE (RO); UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA (RO); INSTITUTUL ONCOLOGIC, PROFESOR DR. I. CHIRICUTA, CLUJ-NAPOCA (RO); UNIVERSITATEA DE MEDICINA SI FARMACIE IULIU HATIEGANU DIN CLUJ-NAPOCA (RO); UNIVERSITATEA DE STIINTE AGRICOLE SI MEDICINA VETERINARA, BANAT, TIMISOARA, FACULTATEA DE TEHNOLOGIA PRODUSILOR ALIMENTARI, DEPARTAMENTUL DE BIOCHIMIE SI BIOLOGIE MOLECULARA (RO); UNIVERSITATEA TEHNICA DIN CLUJ-NAPOCA, FACULTATEA DE STIINTA SI INGINERIA MATERIALELOR, LABORATORUL DE ANALIZA FORMELOR SI STRUCTURILOR TEHNOLOGICE (RO)

Affiliation: UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA, FACULTATEA DE CHIMIE SI INGINERIE CHIMICA, CENTRUL DE CHIMIE ORGANOMETALICA (RO)

Project website: http://chem.ubbcluj.ro/pagini/anorganica/ihaiduc/metallomics/index.html

Abstract:

We propose a complex inter-/trans-disciplinary fundamental research program in the field of biomedical applications of metallocomplexes. The wide international interest on this topic, as well as the perspective of obtaining new fundamental knowledge and the potential applications thereof, justify such a program in romania. The project involves specialists from diverse fields: chemistry, biochemistry, biology, medical doctors specialized in clinical laboratory, medical oncology, chemotherapy, radiotherapy, surgery, anatomo-pathology, pharmacology, cell biology and materials science. Inorganic and organometallic compounds of transition metals and of main group elements (e.g., ga) with heterocyclic ligands containing one or more sulfur and/or nitrogen atoms, chiral as well as achiral (phenothiazines, pyridines, diazines, triazines, tetrazoles), diazenium-diolates, calixarenes, calixpyrroles, dithiocarbamates, and heteropolytopic ligands (p/n, p/s, as/n, as/s), including potential nitric oxide generators, will be synthesized, characterized and tested. In order to facilitate targeted delivery and gradual release of the active components (hence, controlled concentrations thereof), compounds/ligands will be attached to peptidic moieties or other biocompatible matrices. The final goal is to identify compounds with anti-mitotic and anti-proliferative effect, with applications in developing new chemotherapeutical drugs and radiosensitizing materials for use in cancer therapy, as well as the elucidation of biochemical, immunological, molecular, radiobiological, and oxidative stress-related aspects of the interaction of metals with living cells. This will entail a systematic study of the molecular-level interaction between metalloproteins (e.g., cytochrome c, relevant to apoptosis) and the newly-synthesized compounds, as well as of the degree to which the latter modulate the levels of stress agents (e.g., no, superoxide) and/or affect key steps in apoptosis or cancer.

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