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Romania
Citizenship:
Romania
Ph.D. degree award:
2004
Mr.
Attila
Bende
Dr.
Researcher
-
INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M
Researcher
>20
years
Web of Science ResearcherID:
http://www.researcherid.com/rid/A-6539-2008
Personal public profile link.
Curriculum Vitae (03/10/2023)
Expertise & keywords
Molecular physics
Molecular modeling
Quantum chemistry
Photophysics
Photochemistry
Physical-Chemsitry
Laser photochemistry
Computational photochemistry
Theoretical spectroscopy
Quantum chemistry
Theoretical condensed matter
new materials
Intermolecular interactions
Weak intermolecular interactions
Organometallics
Projects
Publications & Patents
Entrepreneurship
Reviewer section
eXtreme ultraviolet to soft-X-ray Photonic Integrated Circuits
Call name:
P 3 - SP 3.6 - Premierea participării în Orizont 2020
PN-III-P3-3.6-H2020-2020-0180
2021
-
2024
Role in this project:
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:
Project website:
https://www.itim-cj.ro/xpic/
Abstract:
This project aims at the realization of a new technological platform for the development of a EUV – soft X-ray integrated photonics (X-PIC), a lab-on-chip instrument as coherent source for XUV and soft X-ray radiation. This platform X-PIC is based on high-order harmonic generation (HHG) of mid-infrared pulses in hollow-core waveguides. The miniaturized waveguides will be fabricated within the project consortium, these will be filled with noble gas which will serve as interaction medium for HHG of the laser pulses coupled in to the waveguide. In order to increase the the high-harmonic flux we will explore experimentally feasible quasi-phase-matching configurations through the controlled modulation of the waveguide's diameter and gas pressure.
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Nanostructured microfluidic analytical platform for dual SERS-electrochemical detection of emerging environmental pollutants
Call name:
EEA Grants - Proiecte Colaborative de Cercetare
RO-NO-2019-0517
2020
-
2024
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); UNIVERSITATEA DE MEDICINA SI FARMACIE "IULIU HATIEGANU" (RO); SINTEF AS (NO); NANOM MEMS SRL (RO)
Affiliation:
INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE I N C D T I M (RO)
Project website:
https://www.itim-cj.ro/polsens/
Abstract:
Environmental contamination with pesticides causes negative impact on soil, water, and whole ecosystems. Studies evidenced links between pesticides and diseases such as Parkinson’s, prostate cancer, immune depression, allergies, and others in population groups heavily exposed to pesticides. Chronic exposure to low levels of pesticides also raises toxicity concerns. Persistent organic pollutants (POPs) are a class of very dangerous pollutants, capable of long-range transport, bio-accumulation in human and animal tissue, and bio-magnification in food chains. In such an exposed environment almost everyone has POPs in their body, including newborns or even embryos. Highly accessible analytical platforms for fast, selective and decentralized detection of dangerous chemicals are therefore of very high demand.
Within this project we propose to develop sensing platforms able to detect environmental pollutants by simultaneous optical spectroscopy and electrochemistry. A nanostructured plasmonic chip will be the core of the spectro-electrochemical sensor combining the advantages of highly specific and sensitive surface enhanced Raman spectroscopy (SERS) to the versatility, portability, and low costs of electrochemical (EC) sensing. The dual SERS-EC sensing platform will be integrated in a microfluidic system, in order to benefit from reproducible measurements due to highly defined environment, easy handling of small sample volumes, high throughput detection, and even sample preparation and mixing procedures in continuous flow. Additionally, a second dual sensing cell based on common spectrophotometer cuvettes, for ml-scale sample volumes will be developed. The proof of concept will be demonstrated on organohalide pesticide endosulfan, an emerging pollutant (EP) selected from the new POPs list of the Stockholm Convention and the JRC Watch List. Extending the adaptability of the proposed sensing platform to the detection of other environmental pollutants (e.g. lamda-cyhalotrin, thiabendazole) will be also pursued. Our research aims to provide sensing platforms by which these substances can be detected in surface waters samples and also to contribute to the scientific data regarding POPs accumulation and distribution. The design and experimental development of the SERS-electrochemical sensor aims for device portability for field (in-situ) applications, such as monitoring EPs in surface waters at critical sites (e.g. in the vicinity of a possible pollution source).
To overcome the involved scientific and technical challenges and achieve the proposed objectives, a diverse range of expertise, skills and infrastructure capacities are combined: optical simulations and experiments, nanofabrication, microsystems technologies and microfluidics, advanced characterisation tools, plasmonics, surface enhanced Raman spectroscopy, DFT calculations, electrochemistry, gas chromatography, chemometric tools. The proposed consortium is a highly trained and experienced one, relatively young, and with a very good gender balance. No ethical issues implying human or animal testing are raised by the implementation of this project.
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Photochemical behavior of some polydopamine-based nanostsuctures
Call name:
P 4 - Proiecte de Cercetare Exploratorie, 2020
PN-III-P4-ID-PCE-2020-0770
2021
-
2023
Role in this project:
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:
Project website:
https://www.itim-cj.ro/PNCDI/photopolydopa/
Abstract:
The present project proposes to elaborate a detailed experimental and theoretical investigation in order to characterize in details the photochemical behavior of the polydopamine-based nanostructures. To achieve this goal, femtosecond time-resolved spectroscopy techniques (transient-absorption and time-resolved fluorescence) as experimental- and the density functional theory (DFT) and its linear response time-dependent (TDDFT) version will be considered as the theoretical framework to reveal the absorption efficiency of the electromagnetic field starting from the simpler dopamine to the more complex polydopamine (PDA) polymer structures, about the time scale of the excited state relaxation dynamics and the role of the graphene and TiO2 substrates on these photochemical processes of PDA. In the first period of the project implementation, the simple case of dopamine molecule will be analyzed. This investigation will be followed by a detailed description of the photochemical processes in PDA oligomers, oligomer aggregates and oligomer aggregates of PDA analogues. Finally, the more complex cases of PDA coated graphene and TiO2 nanostructure will be explored and the role of the substrates on the photochemical properties of the PDAs will be drawn up. Based on the system-level analyzes one can provide a comprehensive picture of photochemical properties of the PDA-based nanostructures that can be used to develop new materials with special properties.
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Design of some spin-crossover supramolecular structures controlled by ultrashort laser pulses
Call name:
P 4 - Proiecte de Cercetare Exploratorie
PN-III-P4-ID-PCE-2016-0208
2017
-
2019
Role in this project:
Project coordinator
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/lascro/index.html
Abstract:
The present project proposes to elaborate a detailed theoretical framework for laying out different supramolecular complexes with well-defined properties based on the spin crossover effects. To achieve this goal, the density functional theory (DFT) and its linear response time-dependent (TDDFT) version will be considered as the theoretical framework to describe different electronic excited states in “low” and “high” total spin configuration. In the first period of the project implementation, the validation of the used theoretical model will be carried out through the comparison with already existing experimental measurements. This investigation will be followed by a detailed description of the physical phenomena of the laser induced spin transition in organometallic complexes which mainly includes: theoretical characterization of the molecular electronic excited states; description of the radiation decay pathways and localization of the intersystem crossing points; calculation of the spin-orbit couplings. After the successful validation and development of the theoretical framework, several metal-ligand structures will be investigated in order to design metal-coordinated macrocycles with efficient spin transitions driven by the external laser field in a controlled manner. Each case of metal-coordinated macrocycles will be characterized in detail and the most promising candidates will be selected for chemical synthesis. After the successful synthesis, the macrocycle compounds will be investigated using different spectroscopy techniques, like UV-Vis, transient absorption or Raman in order to characterize their spin crossover properties. Based on these analyses the most important feature of the spin crossover complexes, namely the ligand bond length variation driven by an external laser field in a controlled manner, will be applied in case of sulfonated coordination polymer networks to build molecular materials with special properties.
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Femtosecond pulse shaping to control attosecond pulse generation
Call name:
Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-0425
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:
Project website:
http://www.itim-cj.ro/PNCDI/ru185/index.htm
Abstract:
During this project we intend to develop a numerical method for shaping femtosecond laser pulses to optimize the controlled generation of attosecond pulses which are used in time-resolved pump-probe experiments. We propose a fundamental type research, which contributes to a deeper understanding of the dynamics of electrons on the attosecond time scale. We will elaborate the pulse shaping method based on optimizing the electron trajectories in high-order harmonic generation (HHG) in two-color driving fields. The main goal of the project is to offer, as a final deliverable, a useful numerical tool for experimental groups in order to find the optimal configuration of their particular HHG setup and generate both intense and high-energy XUV (soft X-ray) attosecond pulses. The main goal of the project is to fill the gap between the results of theoretical calculations for the ideal waveform in HHG and the real experimental possibilities existing in laboratories.
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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:
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.
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Single attosecond pulse generation by femtosecond waveforms
Call name:
Exploratory Research Projects - PCE-2012 call
PN-II-ID-PCE-2012-4-0342
2013
-
2016
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:
Project website:
http://www.itim-cj.ro/pncdi/id31
Abstract:
Generation of high-order harmonics (HH)is presently the main method to produce pulses of attosecond order duration. A monochromatic laser pulse induces this process every half optical cycle, thus, the harmonic emission is structured as a train of attosecond bursts which correspond to a comb of odd harmonics in the spectral domain. However spectroscopic and many other applications require single attosecond pulses (SAP) to be generated.
The project will explore SAP formation in macroscopic media in a novel configuration when three or more waveforms of incommensurate frequencies and femtosecond order duration are used as driving sources. A numerical model will be developed to (1) solve the wave equations for the simultaneous propagation of the waveforms in the ionizing gas (2) estimate the single dipole response of the atom to the combining fields and (3) solve the harmonic field propagation equations to calculate measurable quantities. The goals are (1) to model and explain SAP generation data which are obtained in collaborating laboratories (2) to find new field configurations able to achieve top characteristics (duration, intensity, broadband) of the attosecond bursts (3) to model and explain coherent beam combining experiments to be performed within romanian Extreme Light Infrastructure project.
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STRUCTURAL CHANGES AND (SUB)PICOSECOND DYNAMICS IN DNA MOLECULES PROBED WITH ULTRASENSITIVE RAMAN SPECTROSCOPIC TECHNIQUES
Call name:
Exploratory Research Projects - PCE-2012 call
PN-II-ID-PCE-2012-4-0115
2013
-
2016
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:
Project website:
http://www.itim-cj.ro/PNCDI/idei54/index.htm
Abstract:
The general aim of this project refers to the study of polymorphic structures characterizing DNA molecules, and also to the elucidation of the rapid (sub)picosecond dynamics in nucleic acids, particularly, in conditions of physico-chemical parameters relevant for their biological function. Investigation of structural changes induced in a natural DNA recognition site (LacDNA), in the presence and absence of divalent metal ions, by changing the pH, will provide data about protonation dependent opening of AT base pairs, changes the protonation of GC base pairs and interactions of DNA with divalent metal ions. UV resonance Raman spectroscopy (UV RRS) will be used for this study. Besides, identification of the Raman FWHHs (full-widths at half height) and investigation of the molecular relaxation times of DNA structural subgroups, based on different Raman techniques, is considered. Also, structural markers for different types of plant nucleic acids will be established, using nobel metal nanoparticles and surface-enhanced Raman spectroscopy (SERS), as an ultrasensitive method. Spectra-structure correlations in the wavenumber region describing nucleoside conformation, backbone geometry and PO2- interaction (600-1150 cm-1) of DNA molecules will be presented. Also, wavenumber range corresponding to the base electronic structures and base pairing (1200-1600 cm-1) is taken into account.
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Dynamics of molecular excited states in interaction with coherent pulsed radiation
Call name:
Projects for Young Research Teams - TE-2011 call
PN-II-RU-TE-2011-3-0124
2011
-
2014
Role in this project:
Project coordinator
Coordinating institution:
Institutul National de Cercetare Dezvoltare pentru Tehnologii Izotopice si Moleculare Cluj Napoca
Project partners:
Institutul National de Cercetare Dezvoltare pentru Tehnologii Izotopice si Moleculare Cluj Napoca (RO)
Affiliation:
Institutul National de Cercetare Dezvoltare pentru Tehnologii Izotopice si Moleculare Cluj Napoca (RO)
Project website:
http://www.itim-cj.ro/PNCDI/ru75/
Abstract:
The objective of this research is to establish, using quantum chemical methods, the excited-state pattern in different molecular systems in order to explain their individual behavior and response to the interaction with coherent pulsed UV light. Starting with computing the vertical excitation energies and the UV absorption spectra, different geometry relaxation pathways involving critical points on potential energy surfaces will be described. Three basic phenomena related to the molecular excited states is investigated. First, we will define the optimal conditions of new covalent bond forming in case of 6-benzyluracil, as a model system for DNA-protein crosslinking by searching those relaxation pathways which are not crossed by many ultrafast radiationless energy dissipating channels. Second, the photoprotectant properties of different molecular species, like, benzophenone, octyl-methoxycinnamate will be described. As an active agent of different sunscreens, the capacity of these molecules in absorbing UV-B radiation will be described. Third, several possible photophysical degradation pathways of bis(2-ethylhexyl) phthalate will be given and as a basic component of many plastics its plasticizer effect under UV radiation will be investigated.
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Surface and Interface Science: Physics, chemistry, biology, applications.
Call name:
Complex Exploratory Research Projects - PCCE-2008 call
PN-II-ID-PCCE-2008-0076
2010
-
2013
Role in this project:
Key expert
Coordinating institution:
INSATITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA MATERIALELOR
Project partners:
INSATITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA MATERIALELOR (RO); INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU INGINERIE ELECTRICA (RO); UNIVERSITATEA DE MEDICINA SI FARMACIE CAROL DAVILA DIN BUCURESTI (RO); UNIVERSITATEA ALEXANDRU IOAN CUZA DIN IASI (RO); INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU FIZICA TEHNICA DIN IASI (RO); INSTITUTUL NATIONAL DE CERCETARE DEZVOLTARE PENTRU TEHNOLOGII IZOTOPICE SI MOLECULARE DIN CLUJ-NAPOCA (RO); UNIVERSITATEA BABES-BOLYAI DIN CLUJ-NAPOCA (RO); ACADEMIA ROMANA FILIALA TIMISOARA (RO); UNIVERSITATEA DE MEDICINA SI FARMACIE VICTOR BABES TIMISOARA (RO)
Affiliation:
Project website:
http://www.infim.ro/projects/siinta-suprafetelor-si-interfetelor-fizica-chimie-biologie-aplicatii
Abstract:
This project intends to provide a financial background for developing the community of Surface Science in Romania. Thematics from physics and chemistry of surfaces will be tackled together with applications of surface science in biology and in technology; also new standards will be proposed for consistent data interpretation. The Project clusterizes the most important Romanian teams with preoccupations in surface science, namely all X-ray photoelectron spectroscopy teams with most of the community of thin film deposition, cluster and nanoparticle physics, surface reactivity, surface chemistry and photochemistry, multilayer physics and applications, magnetic fluids, functionalization of surfaces, cell attachment, studies of cellular membrane. The research teams belong to highly prominent Universities and Research Institutes from practically all geographical areas of the country. The Consortium disposes of infrastructure exceeding 10 million euros, of more than one hundreed highly qualified scientists which have generated during the past years more than 3 % of the national scientific visibility. The research will concentrate into four main areas: (i) magnetic properties of surfaces and low-dimensional systems; (ii) electrical properties of surfaces and heterostructures; (iii) surface chemistry; (iv) application of surface science in functionalized systems and in biology, together with (v) an area concentrating on standardization in X-ray photoelectron spectroscopy, Auger electron spectroscopy and related techniques. Each area is divided into several thematics; each thematic has at least one in-charge scientist. This Project will foster the surface science community in Romania and will contribute strongly to the development of high-technological industrial preoccupation in all geographical areas concerned. Several cutting-edge applications are also foreseen by pursuing the fundamental research proposed.
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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
[T: 0.5566, O: 277]