BrainMap

Daniela Cristina Culita

Ph.D.

Researcher - INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Researcher

I am a Scientific Researcher (II) at the Ilie Murgulescu Institute of Physical Chemistry, Romanian Academy, with expertise in materials chemistry, coordination chemistry, and materials characterization. I hold a PhD in Chemistry (2009) and have over 20 years of research experience in synthesizing and characterizing oxides, hybrid nanocomposites, porous materials, and coordination compounds for biomedical and environmental applications. I have contributed to many national and international research grants, as a project leader or team member, fostering international collaborations.

Web of Science ResearcherID: G-9157-2011

Curriculum Vitae (04/04/2025)

Expertise & keywords

One–Pot Catalytic Conversion of Cellulose into Platform Molecules: Lactic Acid Call name: P 2 - SP 2.1 - Proiect experimental - demonstrativ
PN-III-P2-2.1-PED-2021-4171 2022 - 2024

Role in this project:

Coordinating institution: UNIVERSITATEA NAŢIONALĂ DE ŞTIINŢĂ ŞI TEHNOLOGIE POLITEHNICA BUCUREŞTI

Project partners: UNIVERSITATEA NAŢIONALĂ DE ŞTIINŢĂ ŞI TEHNOLOGIE POLITEHNICA BUCUREŞTI (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Affiliation:

Project website: https://celmollac.wordpress.com/

Abstract:

Lactic acid(LA) has attracted a significantly attention of the researchers due to its wide application in food processing and preservation, pharmaceutical and cosmetics industries and mainly in the synthesis of the polylactic acid. The production of LA in the presence of the heterogeneous acid catalysts attracted the attention of researchers because they are environmentally more sustainable according to the principles of green chemistry. Taking into account the previous studies published, the water-tolerant nature of niobium(V) Lewis acid sites, the strong metal support interaction properties of titanium oxide with transition metals, the existence of Lewis and Brønsted acid sites on the surface of niobium oxide as well as the catalytic activity of titanosilicates in the production of lactic acid derivatives from sugars we propose in this project to validate the process for the synthesis of Nb-based catalysts for the first time to the best of our knowledge, such as niobium doped titanium oxide prepared by solution combustion synthesis, Ti-silicalite-1 with MFI framework and bimodal pore systems (micro-/mesoporosity) supported niobia and activated carbon (obtained from spent ground coffee) supported titanium and niobium oxides and to develop also an experimental model for one-pot conversion of cellulose into lactic acid over Nb-based catalysts,aforementioned, at laboratory scale.

The prepared materials will be exhaustively characterized by using different several techniques such as Pyridine-FTIR, NH3- TPD, XRD, BET, XPS, SEM-EDX, TEM, TG/DTA with the aim to establish a physico-chemical characteristics - catalytic performances correlation in the synthesis of LA from cellulose. Parameters such as: the effect of the amount of catalysts tested, reaction time, reaction temperature will be explored in order to optimize the cellulose conversion to LA.

Bioethanol-fuel cells with metal-free anode for portable devices Call name: P 2 - SP 2.1 - Proiect de transfer la operatorul economic
PN-III-P2-2.1-PTE-2021-0592 2022 - 2024

Role in this project:

Coordinating institution: STIMPEX S.A.

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

Affiliation:

Project website: https://stimpex.ro/research/bioenergcell-celule-de-combustie-cu-anozi-fara-metale-nobile-alimentate-cu-bioetanol-pentru-dispozitive-portabile/

Abstract:

Fuel cells are notable for their potential to efficiently convert blocked energy into chemical bonds into electricity, while reducing pollutant emissions. Within this project, considering the challenges identified by the research team, we decided to make the technological transfer of a fuel cell powered by bioethanol from two research institutes, ICF and INCDFM, to the economic operator STIMPEX SA.

Thus, the main objective of the BIOENERGCELL proposal is to develop an industrial prototype (generically called BEC) - a fuel cell powered by bioethanol, using as anode an oxide without noble metals, economically competitive and dedicated to powering portable devices.

The specific objectives of our proposal are the following:

OS1 Scaling up of cheaper and more efficient oxide electrocatalysts, containing no noble metals, with increased activity, improved stability and increased tolerance to carbon deposition from CO formation as a reaction intermediate.

OS2 Technology transfer from the research institutes involved in the project (INCDFM and ICF) to the private company (SC STIMPEX SA) in order to create an industrial prototype (BEC) - polymer electrolyte fuel cell (PEMFC), electricity generator from renewable sources, used in portable devices.

Given the composition of the consortium, two research institutes and a company with experience in the project, and with a long history of collaboration, we are confident that the project is feasible and will bring progress in the field of innovative membrane fuel cell technology, and also environmental protection. In the long run, fuel cell technology can bring about major changes in the quality of life.

Transfer of innovative co-crystallization technologies for the development of nutraceutical functional products Call name: P 2 - SP 2.1 - Proiect de transfer la operatorul economic
PN-III-P2-2.1-PTE-2021-0393 2022 - 2024

Role in this project:

Coordinating institution: TERACRYSTAL SRL

Project partners: TERACRYSTAL SRL (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Affiliation:

Project website: https://teracrystal.com/research/

Abstract:

The project proposal "Transfer of innovative co-crystallization technologies for the development of nutraceutical functional products -INOCRYSTAL", aims to (i) validating a functional model for the preparation of nutraceutical functional products obtained by (ii) innovative technologies based on the co-crystallization of resveratrol and piperazine and (iii) strengthening TeraCrystal's innovation capacity in obtaining new products with nutraceutical properties for the livestock sector, both for the domestic and foreign markets. This project proposal capitalizes on the results of its own research, obtained through the collaboration between the two partners (TeraCrystal srl and the Institute of Physical Chemistry of the Romanian Academy) and materialized by obtaining an international patent (US 20210032210A1). Based on the results obtained at laboratory scale, a functional model (TRL5) is proposed, which involves cocrystals obtained by the homogenization/milling technique of resveratrol and piperazine in the presence of ethyl alcohol. A discontinuous technological process is used with 2 kg rods. It can be estimated that the product thus obtained possesses nutraceutical functions and generates a profit of 30.000 euro/month for a 100kg production. It is also proposed to patent the technology for obtaining the nutraceutical product and to disseminate the results by participating in two international conferences and publishing three ISI listed papers.

Biomedical applications of hybrid materials based on graphene oxide and fluorescent structures Call name: P 1 - SP 1.1 - Proiecte de cercetare pentru stimularea tinerelor echipe independente - TE-2021
PN-III-P1-1.1-TE-2021-0288 2022 - 2024

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Affiliation:

Project website: https://www.icf.ro/pr_2022/BIOGOM.ppt

Abstract:

In this project, we present a simple method for the preparation of new fluorescent hybrid systems, based on amino-coumarin and nitro-benzofurazan derivatives that attach covalently or non-covalently to graphene oxide (GO). In the first stage, our method aims to increase the number of carboxyl groups required for functionalization with amino-coumarin derivatives. To achieve this, the hydroxyl groups can be converted by derivatization with chloroacetic acid into carboxylic groups, transforming GO into GO-COOH material. Activation of carboxylic groups is an important step in improving its reactivity to nucleophilic reagents, and this is done using the carbodiimide-promoted reaction. In the second stage, the amidation reaction with the amino group of the coumarin compounds will take place. We will also synthesize, from lipoic acid and two nitro-benzofurazan derivatives, new multifunctional molecules with enhanced biological properties, which we will attach non-covalently to GO to preserve their fluorescent properties. The obtained materials will be evaluated by numerous characterization techniques, and their fluorescence will be highlighted by live-cell imaging. Their antimicrobial activity will be tested on Mycobacterium tuberculosis, as well as on bacteria and fungi in planktonic and biofilm growth states. Biocompatibility of the compounds will be assayed using 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide and lactate dehydrogenase tests.

(Poly)saccharides-derived hydrothermal carbonaceous materials–a platform for developing a new generation of copper-based green electrochemical sensors Call name: P 4 - Proiecte de Cercetare Exploratorie, 2020
PN-III-P4-ID-PCE-2020-2324 2021 - 2023

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

Affiliation:

Project website: http://www.icf.ro/pr_2020/GREENSENS.pptx

Abstract:

(Poly)saccharides represent ideal natural sources for the eco-friendly hydrothermal synthesis of semi-carbonized materials (hydrothermal carbons, HCs). HCs are nowadays considered alternative green conductive materials to more expensive graphene or carbon nanotubes (CNTs). The main objective of the proposal is the development of a new generation of sustainable electrochemical sensors constructed from Cu-based/(poly)saccharide-derived HCs composites. The engineering of HCs supports through hard/soft template strategies or the obtaining of HCs/CNTs hybrid structures gave rise to stable mesoporous materials with controlled pore structures that are expected to enhance the conductivity of the carbonaceous materials. The embedding of Cu-based nanoparticles into the HCs matrix or supported on the pre-designed porous HCs materials will lead to composites of which sensitivity toward several analytes will be tested. The social and environmental impact, relying on our scientific results, represent a step forward to a cleaner environment. The involvement of young researchers in our team will help them to acquire knowledge and new research skills and will also familiarize them with research themes related to green chemistry issues, like the minimization of waste and clean synthesis.

Functionalized mesoporous bioglass based 3D scaffolds for hard tissue regeneration Call name: P 2 - SP 2.1 - Proiect experimental - demonstrativ
PN-III-P2-2.1-PED-2019-0598 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 STIINTE BIOLOGICE (RO)

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

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

Abstract:

The project proposal “Functionalized mesoporous bioglass based 3D scaffolds for hard tissue regeneration“, aims to improve the well-being of people by treating them with new biomaterials. The objective of the project is to restore and improve the function of hard tissue by using functional bioactive scaffolds. These scaffolds will provide good mechanical properties in a suitable environment for tissue regeneration and repair. Sodium free mesoporous bioglasses (MBGs) doped with cerium will be used for scaffold manufacture using a combination of structure-directing agents and a polymer foam replication method. The BIOSCAFTIS project is based on our early results demonstrating that MBGs doped with cerium have good bioactivity and biocompatibility properties. In order to improve the growth and remodelling of bone tissue the surface of the scaffold will be functionalized with vitamin D3. The properties of the scaffolds e.g. bioactivity, mechanical strength, antimicrobial activity and drug delivery profile will be evaluated using adequate characterization techniques. The performance integration of 3D scaffolds to native tissues will be investigated using in vitro experimental models mimicking interaction with osteoblast cells. As a result of the research the project aims to disrupt the area of biomaterials by developing a new class of materials for medical applications.

Holistic design of fuel cell electrocatalysts for the least power applications Call name: P 3 - SP 3.2 - Proiecte ERA.NET
ERANET-M.-CATALEAST-1 2019 - 2022

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); Research Centre for Natural Sciences, Institute of Materials and Environmental Chemistry, Budapest, Hungary (HU)

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

Project website: http://www.icf.ro/pr_2018/CATALEAST/index.html

Abstract:

Due to their low operation temperature/pressure requirement and high energy density, Polymer Electrolyte Membrane Fuel Cells (PEMFCs) comprise the most important type of fuel cell for different applications, like automobiles, stationary, and small-scale portable electricity generation. One of the key constituents of PEMFCs responsible for the longevity, performance and price is the electrocatalyst. The best available catalysts consist of activated carbon, so called support, and platinum, as active phase, which are known to suffer from degradation, which can only be compensated with extremely high platinum loading, keeping the price of the cells high. Our aim is the development of new types of corrosion resistant catalysts with improved stability and decreased or completely eliminated Pt content. The project proposes integration of novel catalytic system into Membrane Electrode Assemblies (MEAs) and building of fuel cells for laboratory tests and application in new portable, hydrogen powered, devices. Finally, the project aims to scale-up the preparation of the best compositions to industrially relevant amounts. The novel generation of electrocatalysts and the completed small PEMFCs with MEAs built on these catalysts as the outcomes of the proposed work will contribute to the deployment of hydrogen fuel cells, one of the key technologies towards a sustainable, decarbonised and more efficient energy system. Therefore, a foreseeable result of the proposed work at the economy level is a contribution to the European innovation chain of Fuel Cell and Hydrogen technologies.

NEW DIAGNOSIS AND TREATMENT TECHNOLOGIES FOR THE CONSERVATION AND REVITALIZATION OF ARCHAEOLOGICAL COMPONENTS FROM NATIONAL CULTURAL HERITAGE Call name: P 1 - SP 1.2 - Proiecte complexe realizate in consorții CDI
PN-III-P1-1.2-PCCDI-2017-0476 2018 - 2021

Role in this project:

Coordinating institution: Institutul National de Cercetare-Dezvoltare pentru Chimie si Petrochimie - ICECHIM Bucuresti

Project partners: Institutul National de Cercetare-Dezvoltare pentru Chimie si Petrochimie - ICECHIM Bucuresti (RO); UNIVERSITATEA OVIDIUS (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); UNIVERSITATEA "VALAHIA" TARGOVISTE (RO)

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

Project website: https://icechim.ro/project/tehnologii-noi-de-diagnoza-si-tratament-pentru-conservarea-si-revitalizarea-componentelor-arheologice-ale-patrimoniului-cultural-national-arheocons/

Abstract:

The cultural heritage, as a source of national historical and cultural authenticity, is subjected to deterioration, and for stopping it, some specific procedures are required: cleaning, replacement of old materials and application of new protective materials compatible with the original, and advanced monitoring with sustainability assessment. The consortium of the present project has a unique expertise in Romania, recognised in Europe, through the many published papers, essential projects in Romania (Basarabi Churches, Potlogi Palace, etc.), OSIM and EPO patents, technology transfer, nanomaterials in chemical and biological preservation for cultural heritage objects and objectives; the partner institutions complement each other on a regional basis in the working plan of the whole project.

The overall objective of the project is to develop new materials, new methods and technologies that obey the principles of authenticity, reversibility and value, with a strong impact on immobile cultural heritage objects (fresco, basreliefs and mosaic) and mobile (decorative artefacts from ceramics, glass, metal, bone, objects of art and archaeology). Specific objectives: Developing innovative technologies for protecting national cultural heritage, multidisciplinary cross-sectoral approach, encouraging young professionals as leaders in heritage preservation, exploitation of research results for new jobs, promoting heritage education, professional expertise among all factors involved in the patrimony protection system.

The project, with a high degree of innovation and originality, applies unique technologies in Romania based on new materials compatible with the original materials and develops new techniques practical applied to: Roman Mosaic and Hypogeum Tomb, Constanta, Adamclisi Museum (basreliefs), Constanta County, Corvin’s Castle (Fresca Loggia Mathia) and Archaeology Museum, Hunedoara.

Nanoconfinement in mesoporous Silica: Towards next generation Energy storage Materials Call name: P 1 - SP 1.1 - Proiecte de cercetare pentru stimularea tinerelor echipe independente
PN-III-P1-1.1-TE-2016-0520 2018 - 2020

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

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

Project website: http://www.icf.ro/pr_2018/Contract_95_2018_stema.pdf

Abstract:

The most promising “green” energy generation and storage technology which can economically replace coal and gas at scale is concentrated solar power (CSP). The STEMA project aims to increase the heat storage capacity for this technology with ~50% by developing new solid, shape-stabilized phase change materials through the nanoconfinement of molten salts (such as alkali nitrates and halides) in mesoporous silica matrices. This innovative approach is based on a concept demonstrated by the project team in 2015, involving the maximization of the weight fraction of the active heat storage component through impregnation inside the silica mesopores and in the interparticle spaces, while yielding shape-stability (preservation of macroscopic solid form upon active component phase transition) through capillary forces. The project aims at laboratory demonstration of a novel material with 220J/g heat storage over 100 °C range, an increase of ~50% over state-of-the-art. In contrast with current approaches based only on sensible heat storage, this project will utilize both latent and sensible heat storage mechanisms, increasing the storage capacity and operating temperature range which will yield increased efficiencies and decreased cost per kWh for CSP. Fundamental research pertaining to this promising research field will also be carried out, with the aims of investigating the physico-chemical processes taking place upon molten salt nanoconfinement (adsorption/desorption, crystallization, stability and chemical reactions).

The project proposes a multidisciplinary approach and aims to consolidate the research team position as a leader in the field of shape-stabilized phase change materials with high storage potential, based on nanoconfinement effects. Furthermore, the project activities are aimed at both applicative and fundament research, increasing the team international visibility and capacity for further collaborative projects with industry and academia.

SOFT INTERACTIONS IN POLYMER AND HYBRID HYDROGELS INVESTIGATED BY ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0734 2017 - 2019

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

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

Project website: http://www.icf.ro/pr_2017/CTR_86-2017/index.html

Abstract:

The project aim is to approach structural aspects of polysaccharide hydrogels with self-healing properties or represented by interpenetrating polymer networks (IPN) using electron paramagnetic resonance (EPR) spectroscopy. This is a physico-chemical method that provides highly specific local information on the environment around the paramagnetic species in a range of several nanometers. As polysaccharides are diamagnetic, spin labelling will be a necessary step in studying these hydrogels by EPR, in order to obtain information that can be further exploited in tailoring the properties of a particular hydrogel.

The major goals of this project are: 1) to get insight into the formation of hydrogels resulted through noncovalent assembly of polysaccharides, and 2) to analyse gel properties and some processes, taking place inside the hydrogel network, which can generate hybrid materials, all these in connection with their possible applications. The goals will be pursued by following five research objectives:

O1. Design of spin labelled self-healing hydrogels based on host-guest interactions

O2. Design of interpenetrating polymer network (IPN) hydrogels involving polysaccharides and the study of their behaviour by EPR spectroscopy

O3. Exploration of mesh size using EPR measurements and distribution of spin probes in the non-homogeneous systems represented by polysaccharide hydrogels

O4. Obtaining hybrid materials represented by self-healing and IPN polysaccharide hydrogels and inorganic nanoparticles

O5. Investigation of processes occurring in alginate/hyaluronic acid hydrogels embedded with riboflavin and irradiated with UVA light

Although the main technique will be EPR spectroscopy, the research will involve additional investigations and characterization by other techniques like porosimetry, electron microscopy, thermal analysis, rheology, fluorescence and IR spectroscopy, all readily available in our institute.

New versatile dicyanidometallate precursors [MIII(L)(CN)2]- for designing heterometallic molecular magnetic materials Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0321 2017 - 2019

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

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

Project website: http://www.icf.ro/pr_2017/Contract_88-2017-eng.pdf

Abstract:

The present project develops a systematic study on the design and synthesis of new versatile dicyanidometallate [MIII(L)(CN)2]- precursors (MIII = Cr, Ru and Os, L = compartmental ligands of Schiff base type, derived from condensation reaction between salicylaldehyde or o-vanillin with various diamines, including chiral amines) and the investigation of the possibility to use them as tectons for the construction of cyanido-bridged heterometallic complexes with novel topologies, structural diversity, and predictable magnetic properties.

The synthetic approach towards heteropolymetallic systems consists in self-assembly processes between the [MIII(L)(CN)2]- tectons and solvated metal ions, partially blocked complexes (e.g. mononuclear 3d complexes or binuclear 3d-3d’, 3d-4f complexes) or alkoxo bridged homo- and heterometallic cationic clusters. The binuclear complexes 3d–3d’, 3d–4f with compartmental ligands, due to their versatility and structural flexibility, efficiently act as tectons in designing heterotrimetallic systems with relevance in molecular magnetism. A special emphasis will be given to the synthesis of 3d-3d’, 3d-4(5)d, 3d-4f, 4(5)d-4f or 3d-4f-4(5)d, 3d-4f-3d’ heterometallic systems. In order to obtain systems with improved single-molecule magnets (SMM) or single-chain magnets (SCM) behavior, the metal ions with large magnetic anisotropy (Mn3+, Co2+, Ni2+, Tb3+, Dy3+, Ho3+) will be used. Another important objective of the project is focused on the use of chiral multidentate ligands for the obtaining of magneto-chiral systems, very interesting in the field of materials science.

From the fundamental point of view, our project will enrich the still poor coordination chemistry based on RuIII-, OsIII- and CrIII- cyanido tectons with novel examples. Besides aesthetic and structural diversity, the systems that will be obtained in this project are very important for understanding and interpreting their properties.

Organic functionalized graphene oxide- a composite material for multiple applications Call name: P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0187 2017 - 2019

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU

Project partners: INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO)

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

Project website: http://www.icf.ro/pr_2017/Contract_77-2017.pptx

Abstract:

Graphene oxide (GO) is a 2D material obtained from graphite by oxidation, containing functional groups like carbonyl, carboxyl, epoxy and hydroxyl. These make GO very attractive, due to the possibility of functionalization with different compounds of interest. While a lot of investigations have been performed on graphene or GO, there are still some unclear issues or divergent results. For example, one of the less studied problems is the nature of the unpaired electrons in such materials and their contribution towards properties. Our first aim is to elucidate this issue by using multi-frequency electron paramagnetic resonance (EPR or ESR), being an important step forward in understanding the active centers in GO, getting deeper information about electronic and magnetic properties of GO. The second aim of the project has a more practical approach (making use of covalent organic chemistry), following the functionalization of GO with organic compounds of interest (like crown ethers or stable free radicals), to achieve highly functional materials for different applications. Exploring and developing this area can contribute to the increase of practical applications, with a possible large benefit for technology and industry. The specific objectives of the proposed project are: i) synthesis and structural characterization of GO (different size/morphology, no. of layers, degrees of oxidation); ii) elucidation of the spin type and their distribution into GO (C- or O-centered, on edge or within 2D structure); iii) functionalization of GO with stable free radicals, crown ethers or other compounds; iv) studies about the capacity of the functionalized GO to capture metal ions or oxidize organic pollutants (i.e. for wastewater treatment); v) optimization of the processes and building a composite GO/silica material (with improved properties, for further applications).

INNOVATIVE MATERIALS AND PROCESSES FOR SELECTIVE HEAVY METALS REMOVAL FROM WASTEWATER Call name: Joint Applied Research Projects - PCCA 2013 - call
PN-II-PT-PCCA-2013-4-0418 2014 - 2017

Role in this project:

Coordinating institution: UNIVERSITATEA POLITEHNICA DIN BUCURESTI

Project partners: UNIVERSITATEA POLITEHNICA DIN BUCURESTI (RO); INSTITUTUL NATIONAL DE CERCETARE-DEZVOLTARE PENTRU INGINERIE ELECTRICA ICPE - CA BUCURESTI (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); KEMCRISTAL SRL (RO); INSTITUTUL DE STUDII SI PROIECTARI ENERGETICE S.A. (RO)

Affiliation:

Project website: http://hapchitmag.chimie.upb.ro

Abstract:

The project entitled Innovative Materials and Processes for Selective Removal of Heavy Metals from Wastewater is included in the global concerns of humanity to have access to drinking water resources in the conditions in which water sources are becoming increasingly polluted. The most important anthropogenic sources of heavy metals are wastewater from various industries such as: electroplating, leather industry, textile industry, dyes industry, mining industry. Due to the fact that heavy metals are not biodegradable and they can be bio(accumulated) in living tissues, they can enter directly or through the food chain in human bodies, most of them being toxic, thus their removal from wastewater is currently imposed by legislative rules. Technologies to remove heavy metals from wastewater include precipitation, ion exchange, electrodeposition, membrane processes, sorption, sequestration by cementation. All these technologies have advantages and disadvantages (high operating costs, and for some of them obtaining sludges with heavy metals that will be stored and thus will determine soil pollution, or they will require further processing).

The project’s aim is to develop novel materials (nano- and micro-scale) with high selectivity for removal/retaining heavy metals from wastewater by solid phase synthesis, precipitation from aqueous solutions, and non conventional techniques such as sol-gel and microwave-assisted synthesis. The products obtained will be also as powder, beads, micro/nanospheres (hydroxyapatite, magnetite and chitosan), and compounds with complex structures like chitosan composites, chitosan cross-linked with glutaraldehyde, magnetite nanoparticles functionalized with organosilane and chitosan. The main purpose is to increase the selectivity, sorption capacity, durability and stability in acid environments, specific to wastewater.

Materials obtained will be tested in heavy metals (Pb(II), Cu(II), Ni(II) si Zn(II)) removal/retaining processes from synthetic solutions and industrial wastewater in order to identify the material with high selectivity and sorption capacity. There will be performed batch and continuous tests to establish the influence of factors (contact time, stirring speed, pH, size of adsorbent particles, height of adsorbent bed, metal ion concentration in the initial solution/wastewater, competition with other metal ions) on the sorption process. The kinetic and thermodynamic studies will be performed to establish the mechanisms involved in sorption process for industrial technology development.

Some of residual products resulted can be used in different industrial sectors such as: ceramics industry, building materials industry, and the others can be recovered by desorption processes and reused in other sorption processes. Materials and technologies proposed can be considered as main components of sustainable development of society due to the fact that they improve population health, protect the environment, reuse and integrate wastewater in natural and industrial cycles, create new jobs for young researchers, but also for people in urban areas, especially those affected by industrial pollution. The results obtained by the work performed in this project will be disseminated. The most relevant results will be used to apply for a patent proposal and for their industrial implementation. Research and development works will be based on moral and ethical principles according the deontology (Law 206/2004) endorsed by all partners in the consortium.

Advanced optimisation process of cement manufacturing in condition of waste recovery Call name: Joint Applied Research Projects - PCCA 2013 - call
PN-II-PT-PCCA-2013-4-1808 2014 - 2017

Role in this project:

Coordinating institution: CEPROCIM S.A.

Project partners: CEPROCIM S.A. (RO); UNIVERSITATEA POLITEHNICA DIN BUCURESTI (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); HEIDELBERGCEMENT ROMÂNIA S.A. (RO)

Affiliation:

Project website: http://www.ceprocim.ro/activitati/proiecte/aware/

Abstract:

The AWARE project topic is to establish an advanced conducting technique of controlling a clinker kiln operation in condition of waste recovery. The project topic lies within the 7.2 research area – advanced technologies to conduct industrial processes in the framework of the 7th domain – materials, processes and innovative products.

Due to a large number of variables which has an effect on both kiln operation and the quality of the clinker, is difficult to optimise the kiln operation, particularly due to variations in the feed material, fuel quality, burning conditions and other variables. Optimization is thus simply difficult to achieve manually or partially automated. The difficulty in manual or partially automated control is partly due to the difficulty in ascertaining what is going on inside the kiln, from both a process and a metallurgical point of view. This is practically a general problem, which is especially accentuated in high temperature systems where direct continuous industrial temperature measurement does not exist. Since, remnant features present in the clinker microstructure depend on the kiln feed variations and the burning conditions is understandable the strength of descriptive methods for particle shape and morphology quantification in optimization the clinkering process.

In order to overcome the above-mentioned issues CEPROCIM, UPB, ICF and CARPAT decided to join their efforts and skills in order to develop a solution to the problem of optimisation a process with a large number of variables which affect the operation of the kiln and the quality of the clinker. The practical purpose of the AWARE project is to implement the developed solution in a cement plant, which is the 3rd partner in the consortium.

In the AWARE project the research effort will be focused in the development of two end-products: a clinker microstructure model for high level control and an empirical relationship for prediction of 28-days compressive strength derived from experimental results of the first mentioned end-product.

The AWARE team decided to split the control of the clinker kiln in a multi-layered control levels where various control objectives are evaluated, the high level control consisting of clinker microstructure analysis using shape and morphology descriptors.

By cooperation between project partners, using the technique developed in this project, industrial partner CARPAT will be able to optimise the clinker burning process and in this way expand the environmental and economic benefits alongside the growth of the company. The estimated economic benefits measures in energy savings that could vary between 2.5% and 10% or in reducing CO2 emissions for environmental benefits.

The Work Plan is structured to lead all participants in a period of 24 months to carry out their activities with the best profitable resources management so to achieve the common objectives. The methodology followed during the project will be to put in close collaboration the industrial participant with the research performers, in order to develop the two end-products of the project.

New complex combinations of some lanthanides with antitumoral properties and their use in design and development of new drugs Call name: Joint Applied Research Projects - PCCA-2011 call, Type 1
PN-II-PT-PCCA-2011-3.1-0913 2012 - 2016

Role in this project:

Coordinating institution: INSTITUTUL NATIONAL DE CERCETARE - DEZVOLTARE CHIMICO - FARMACEUTICA - I.C.C.F. BUCURESTI

Project partners: INSTITUTUL NATIONAL DE CERCETARE - DEZVOLTARE CHIMICO - FARMACEUTICA - I.C.C.F. BUCURESTI (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); UNIV.DE MEDICINA SI FARMACIE - CAROL DAVILA (RO)

Affiliation:

Project website: http://ncpri.ro/proiecte/antineomed/index.php sau antineomed.ncpri.ro

Abstract:

Cancer, considered to be the “century scourge”, is one of the diseases with the highest death rates around the world.

One of the major concerns of researchers in pharmaceutical and medical field is to discover new molecules and new drugs to fight cancer more effectively than existing.

The latest approach to developing antitumor drugs, at an international level, focuses on enriching the studies on the metallic compounds of the therapeutically active organic structures. Those compounds should have a better pharmacological activity due to the synergic effect of the ligand and the metallic ion or due to the complex’s self-included activity.

Being in agreement with the general world-wide interest, this partnership project sets sights on making the most of the acknowledged antitumor potential of the lanthanides by designing new therapeutically active molecules that have never been recorded in any pharmacological databases. Thus, the objective is to obtain new complex combinations of simple and mixed ligands - benzothiazine-carboxamides (oxicams) or polihydroxyflavones (flavonols) – that would further be used to conceive and develop new drugs. Oxicams are especially recognized for their anti-inflammatory activity, as well as anitumoral, while flavonols – which are natural compounds – are known for their powerful antioxidant, antibacterial and antitumor properties. It is expected that the new complex combinations, as well as the resulting original drugs, would comprise the cumulative antitumor/antiinflammator/antioxidant potentials of the reactants, thus creating new mechanisms of action with increased efficiency in antitumor therapy.

This project sets out to conceive and then fully develop original drugs, starting from the chemical synthesis of new pharmaceutically-active substances that have never been cited in any databases, to the including into pharmaceutical doses and the elaboration of all the documentation required for setting a product out on the market.

Drug delivery systems based on mesoporous inorganic matrix Call name: Joint Applied Research Projects - PCCA-2011 call, Type 2
PN-II-PT-PCCA-2011-3.2-0437 2012 - 2016

Role in this project:

Coordinating institution: UNIVERSITATEA POLITEHNICA DIN BUCURESTI

Project partners: UNIVERSITATEA POLITEHNICA DIN BUCURESTI (RO); UNIV.DE MEDICINA SI FARMACIE - CAROL DAVILA (RO); INSTITUTUL DE CHIMIE FIZICA - ILIE MURGULESCU (RO); POLIPHARMA INDUSTRIES S.R.L. (RO)

Affiliation:

Project website: http://www.chim.upb.ro/uploads/cafe/pages/mesodrug.html

Abstract:

The project Drug delivery systems based on mesoporous inorganic matrix approaches a very complex research in a topic of great interest for the human health and will be execute by a consortium. The complex project is structured in 3 stages as modules, with a total duration of 31 months.

The main challenge of this proposal is to convert some injectable cytostatic drugs in oral targeted drug delivery systems with controlled release. Besides this, another challenge of the project is to perform a complete investigation of interactions between inorganic matrix and pharmaceutical active compounds by various techniques, the interactions between both obtained drug delivery systems (DDS) and inorganic carriers with cells and cellular membrane, as well as the drug release form the obtained DDS in biological synthetic fluids according to pharmaceutical standards. None of the participant institution is able to complete alone this multidisciplinary, complex research. The consortium, consisting in two prestigious universities, University Politehnica of Bucharest (coordinator), “Carol Davila” University of Medicine and Pharmacy, together with Institute of Physical Chemistry - Romanian Academy and S.C. Polypharma Industries Sibiu the end user, can fulfill these challenges.

It is proposed to investigate DDS based on three type mesoporous carriers, with adequate surface modification, silica, titania and ceria, as well as magnetic core-shell mesoporous silica. The DDS efficiency will be studied via cell viability and Reactive Oxygen Species (ROS) production, as well as by United Pharmacopeia Standards (UPS).

Expected results should be of high scientific level and could be valorized in valuable publications in high ranked journals, one patent and technology transfer towards the end user.

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