Prof. Lucio Braicovich

Dipartimento di Fisica del Politecnico di Milano

Venerdì 14 maggio 2010

ore 15.00

aula “G. Ruffino” del Dipartimento di Ingegneria Meccanica (edificio Ing. Industriale, II piano)

Locandina

Department of Chemistry and Applied Biosciences, ETH Zürich, Via Giuseppe Buffi 13, USI Campus, 6900 Lugano, Switzerland (http://www.rgp.ethz.ch/)

Aula G2C

Facoltà di Scienze Matematiche, Fisiche e Naturali

Università degli Studi di Roma “Tor Vergata”

Ore 15.00 – 16 Aprile 2010

ABSTRACT

We use a generalized form of Langevin equation in which the noise is correlated (colored) rather then being white to devise a number of very powerful sampling methods. After revising the theory that is behind our approach, we show how one can model the noise to achieve optimal sampling in ordinary and in ab-initio (Car-Parrinello) molecular dynamics. Most remarkably our sampling method can be used to introduce quantum effect at zero additional cost with respect to a standard simulation.

G. Bussi and M. Parrinello, J. Chem. Phys., vol. 126 (1), pp. 014101, 2007

M. Ceriotti, G. Bussi and M. Parrinello, Phys. Rev. Lett., vol 102 (2), pp. 020601, 2009

M. Ceriotti, G. Bussi and M. Parrinello, Phys. Rev. Lett., vol 103 (3), pp. 030603, 2009

European Materials Research Society Spring Meeting

Scientific/Technical Symposia & Exhibition

Palais de la Musique et des Congrès

Congress Center

Strasburg, FRANCE

Deadline for abstract submission: January 19, 2010

EMRS_Spring Meeting_Brochure

Download pdf:

prof. DelSole.pdf

prof. Desideri.pdf

prof.ssa Licoccia.pdf

dr. Morales.pdf

dr. Pulci.pdf

prof. Richter.pdf

prof. Rosato.pdf

dr. Senesi.pdf

prof. Venanzi.pdf

Prof. P. Gomez Romero

A PLANET IN SEARCH FOR ENERGY
Prof. P. Gomez-Romero
Centro de Investigación en Nanociencia y Nanotecnología, CIN2 (CSIC-ICN),
Campus UAB, 08193 Bellaterra (Barcelona) SPAIN
e-mail:pedro.gomez@cin2.es

With cheap oil is on its way to extinction and more abundant carbon threatening climate and environment, our present model for energy generation and consumption is doomed to a radical change or to a radical crisis. And yet, every year we burn more and more fossil fuels. We are already living the beginning of a complex combined problem between energy and the environment, a problem that will not vanish miraculously through the chimney. But every year we use more and more energy.
Maybe in the slumber of the kingdom of dispensable consuming, our supposedly civilized society doesn’t seem to be alarmed by this situation. We seem to believe that, when the time comes, science, technology and the market will come to our rescue providing the massive amounts of energy needed to keep our society moving. But the time is NOW. In this talk we will present the overwhelming problem of energy in our present society, the links between energy, environment and economy and the many lines of action that could be taken to tackle this problem. This will include technological and social aspects, all intertwined to the limit. Hydrogen and fuel cells, solar energy and other renewables, nuclears, energy efficiency…a cocktail difficult to digest for the public in general which we scientists have the responsibility to explain to our fellow citizens. This talk aims at showing how.

Related books:
Pedro Gomez-Romero “Un planeta en busca de energía” Ed. Síntesis, 2007
Pedro Gomez-Romero. “Metaevolución. La Tierra en el espejo” Ed. Celeste, 2001.
www.cienciateca.com

Poster

Prof. Josh Thomas

MD simulation of Nafion®-related fuel-cell membrane materials
Prof. Josh Thomas
Materials Chemistry, Uppsala University, Box 538, SE-751 21 Uppsala, Sweden.

Perfluorosulphonic acid (PFSA) polymers have long been the proton-conducting membranes of choice in PEMFC and DMFC applications. Nafion® has indeed become the  standard against which any new polymer FC membrane must be benchmarked. What then is special about this material – and how could it be improved?
Molecular Dynamics (MD) simulation can provide us with valuable insights to help answer these questions. With today’s high-performance computers, simulations can be performed involving tens of thousands of atoms. I will describe MD simulations of two hydrated membrane polymers for comparison purposes: Nafion® and another popular FC membrane material Hyflon® – earlier known as the Dow® membrane. These two polymers differ only in the nature of their side-chains. Subtle differences are found to result in their water-channel morphologies and in the local environments and dynamics of the hydrated protons which move in their channels. These differences can help explain the differences found in the properties of these two membranes.

Poster

Prof. Franco Cacialli

Conjugated molecular and supramolecular materials now provide a class of semiconductors in its own right, with potential application to devices such as light-emitting diodes, LEDs, displays, transistors, and solar cells, now mature for both large-scale industrial take-up and commercial exploitation. After a brief introduction to conjugated polymers, I will present an electro-optical technique for the non-invasive probing of internal built-in fields in sandwich devices (LEDs or solar cells) and, in combination with data from ultraviolet photoelectron spectroscopy (UPS) and Kelvin Probe characterisation, for the analysis of the energy level line-up at organic semiconductors/electrodes interfaces. I will also present an approach to high-resolution lateral patterning of an electroluminescent conjugated polymer, based on near-field lithography with apertured probes. The technique is based on the spatially selective inhibition of the solubility of the polymer precursor by exposure to the UV field present at the apex of double-tapered, gold-coated probes [aperture diameters between 40 and 80 nm (±5 nm)]. After development in methanol and thermal conversion under vacuum we obtain features with a minimum dimension of 50 nm. I will also report results on heating of the SNOM apertured probes resulting from the combined effect of significant absorption in the metallic coating and small optical throughput of the probes. Implications for microspectroscopy and lithography will also be discussed. Insulated molecular wires made with conjugated-polymers-based polyrotaxanes offer an example of an alternative, bottom-up approach to electroluminescent nanostructures. An attractive feature here is that this class of materials is engineered at a supramolecular level by threading a conjugated macromolecule, such as poly(para-phenylene), poly(4,4-diphenylene vinylene) or poly(9,9-fluorene) through a- or b-cyclodextrin rings, so as to reduce intermolecular interactions and solid-state packing effects, that red-shift and partially quench the luminescence. Such a supramolecular approach preserves the fundamental semiconducting properties of the conjugated wires, and is effective at both increasing the photoluminescence efficiency and blue-shifting the emission of the conjugated cores, in the solid state, while still  charge-transport. We used the polymers to prepare a range of LEDs and light-emitting electrochemical cells (LECs). The reduced tendency for polymer chains to aggregate shows in both solid-state films, as well as in solution (as clearly demonstrated by time-resolved fluorescence studies) and allows solution-processing of individual polyrotaxane wires onto substrates, as revealed by scanning-force microscopy.

Dr. Lionel Vayssieres

The demand of novel functional materials has become the major challenge scientists face to answer crucial contemporary issues such as alternative energy sources, novel sensors for a safer and cleaner environment and for health (e.g. early detection of cancer and regenerative therapies). For instance, one of the promising alternatives for the transition of energy resource from its fossil fuel-based beginning to a clean and renewable technology relies on the widespread implementation of solar-related energy systems, however the high cost of energy production and low-energy of currently used material combinations pose an intrinsic limitation. In this context, revolutionary materials development is required to achieve the necessary dramatic increases in power generation and conversion efficiency. The need of low cost purpose-built, functional materials with optimized geometry, orientation, and aspect ratio combined with inexpensive large scale manufacturing methods will play a decisive role in the success of solar related energy source. However, fabricating and manufacturing large area of such functional materials is a daunting challenge. Novel smarter and cheaper fabrication techniques and, just as important, better fundamental knowledge and comprehensive understanding of materials and their syntheses as well as their properties using nanoscale phenomena such as quantum confinements to create multi-functional structures and devices is the key to success. R&D exploiting Nanoscience and Nanotechnology has the greatest potential to reach such challenging goals.
Such ideas will be demonstrated by the low-cost design and fabrication of 3-D crystalline arrays of metal oxide quantum dots and rods based structures and devices with controlled orientations, size and shape onto various substrates designed at nano-, meso-, and micro-scale by aqueous low-temperature chemical growth. In addition, in-depth characterization of their electronic structure at synchrotron radiation facilities and their application for solar hydrogen generation, photovoltaics, magnetic and gas sensor devices will be presented.

Prof. Patricia Targon Campana

The understanding of the relation between the protein structure and its function is an important challenge in Science, since proteins are involved in all crucial process for life appearing and maintenance. In this sense, the comprehension of stability and conformational mechanisms that can interfere in the protein function is essential to achieve the knowledge and subsequent treatment of several pathologies. Among the most interesting proteins for these studies one can find the lectins: proteins that present the ability to bind carbohydrates specifically and in a reversible way. As carbohydrates can be found in cell membranes, this special feature makes these proteins proper to mediate molecular recognition processes as cell proliferation, cell-cell and cell-virus interactions. Although those proteins have been extensively studied during the last decades, new lectins with interesting properties have been isolated and even the most studied ones presented open questions about their biological function and conformational changes as well. In this sense, this talk aims to present some conformational studies of lectins and other proteins with biotechnological application that have been performed in several structure levels. The changes in secondary structure by means of Far-UV Circular Dichroism, steady-state and phase domain fluorescence at aromatic vicinities and tertiary and quaternary levels using Small-Angle X-Ray Scattering (SAXS) will be presented.

Dr. W. Meyer-Klaucke

(EMBL – Hamburg)

Related Information
EMBL

The synergism of structural techniques in live sciences plays an increasingly important role these days. in x-ray absorption spectroscopy mainly collaborations with NMR or protein crystallography have let to a better understanding of the systems under study. Based on a series of projects the synergism of these methods will be highlighted and the future options discussed.

One example is FurB from /Mycobacterium tuberculosis/. Iron, zinc and other transition metals are essential elements for almost all living organisms as they play important roles in a wide range of cellular processes. They act either as structural components or as obligate co-factors in various functions ranging from respiration to DNA replication. A balanced efflux/influx of these metal ions has to be achieved in order to satisfy the requirements of the cell and to avoid toxicity. Organisms have therefore developed highly sophisticated systems to reach homeostasis based on storage, export, and uptake of metals. Members of the ferric/zinc uptake regulator (Fur/Zur) family are the central metal-dependent regulator proteins in many gram-negative and positive bacteria. They are responsible for the control of a wide variety of basic physiological processes and the expression of important virulence factors in human pathogens. Therefore Fur has gathered significant interest as a potential target for novel antibiotics.

The initial EXAFS experiments in which the protein sample was first dialyzed against an Fe(II) containing solution and afterwards dialyzed against metal-free buffer did not show any significant Fe-fluorescence.These results further supported the microPIXE and gel shift experiments which both indicated no iron binding. The EDTA treated sample was used to record the Zn-EXAFS to determine the chemical environment of the strongly bound Zinc cation. In order to investigate the nature of the exchangeable metal site(s) a protein sample was incubated with Co^2+ . The divalent cobalt ion can occupy the site(s) normally reserved for the Zn^2+ ion.By projecting the local environments for the strongly bound Zn-ion and the exchangeable metal on the crystal structure of FurB, which was determined by multiwavelength anomalous diffraction (MAD) at the Zn-edge, the different role of the metal binding sites were determined.

Prof. Teruo Okano

(Tokyo Women’s Medical University)

Related Information
Tokyo Women’s Medical University

My research group develops polymeric “intelligent surfaces” proven useful and published for applications in medicine [1-4] and biotechnology [5-8]. We have synthesized several temperature-responsive polymers of N-(isopropylacrylamide), and have attached these polymers to various surfaces. This new surface modification technology demonstrates several intelligent functions, including dramatic, reversible surface property alterations with slight temperature changes, useful for new applications. We use temperature-responsive cell culture to prepare novel living cell sheets [9, 10] that represent attractive, interesting new alternatives to tissue as scientific models and as living clinical tissue replacements.

Ocular trauma commonly causes corneal opacification and visual loss because of limbal stem cell deficiency and inability to regenerate the ocular surface. Although corneal transplantation is required in these cases, numbers of donor corneas are very limited. We have initiated clinical treatment to transplant our engineered ocular epithelial cell sheet cultured either from a patient’s biopsied limbal stem cells or oral mucosal cells. With intact native adhesive matrix, cell sheets bind structurally and functionally to eye stroma [11, 12] without sutures. In more than 30 human patients, significant improvement of visual acuity is observed beyond 36months to date.

Using cardiomyocyte heart muscle cells, we have demonstrated a novel tissue engineering methodology layering harvested cell sheets to construct 3-D functional cardiac tissues. When two pulsing cell sheets are layered,, the two sheets synchronize their pulsations through gap junctions between the sheets. We have succeeded in demonstrating long-term survival in vivo for these engineered pulsatile cardiac grafts [13-15]. Analogous cell sheet patches fabricated from autologous skeletal myoblasts are now on-going in large animal models. Cardiac tissue engineering based on our “Cell Sheet Engineering” [16-19] should prove useful for heart model fabrication and clinical cardiovascular tissue repair.

These new cell sheet manipulation techniques are promising for many cell types and tissue structures, and device shapes. We believe that two- and three-dimensional cell sheet manipulation – Cell Sheet Engineering – represents a useful, fundamental, generalized technique for next-generation tissue engineering and regenerative medicine.

References

1. M. Yamato and T. Okano, “Cell Sheet Engineering”, Materials Today, 7 (5), 42-47(2004).

2. J. Yang, M. Yamato and T. Okano, “Cell-sheet engineering using intelligent surfaces”, MRS Bulletin, 30(3), 189-193 (2005).

3. J. Yang, M. Yamato, C. Kohno, A. Nishimoto, H. Sekine, F. Fukai, T. Okano, “Cell sheet engineering: recreating tissues without biodegradable scaffolds”, Biomaterials, 26 (33), 6415-6422 (2005).

4. J. Yang, M. Yamato, K. Nishida, Y. Hayashida, T Shimizu, A. Kikuchi, Y. Tano and T. Okano, “Corneal epithelial stem cell delivery using cell sheet engineering: Notlost in transplantation”, Journal of Drug Targeting, 14 (7) 471-482 (2006).

5. A. Kikuchi, and T. Okano, “7. Hydrogels :Stimuli-sensitive hydrogels”, Polymeric Drug Delivery Systems, Drugs and the pharmaceutical sciences, 148, 275-322, Edited by Glen S. Kwon, Taylor & Francis (2005),

6. H. Kanazawa, Y. Matsushima and T. Okano, “Temperature-responsive chromatography”, Advances in Chromatography, Edited by P. R. Brown, E. Grushka, Marcel Dekker, Inc., 41, 311-336 (2001).

7. N. Idoda, A. Kikuchi, J. Kobayashi, Y. Akiyama, K. Sakai and T. Okano, “Thermal modulated interaction of aqueous steroids using polymer-grafted capillaries”, Langmuir, 22 (1), 425-430 (2006).

8. K. Itoga, J. Kobayashi, M. Yamato, A. Kikuchi and T.Okano, “Maskless liquid-crystal-display projection photolithography for improved design flexidility of cellular micropatterns”, Biomaterials, 27 (15), 3005-3009 (2006).

9. N. Yamada, T. Okano, H. Sakai, F. Karikusa, Y. Sawasaki and Y. Sakurai, “Thermo-Responsive Polymeric Surfaces; Control of Attachment and Detachment of Cultured Cells”, Macromol. Chem. Rapid Commun., 11(11), 571-576 (1990).

10. T. Okano, N. Yamada, H. Sakai and Y. Sakurai, “A Novel Recovery System for Cultured Cells Using Plasma-Treated Polystyrene Dishes Grafted with Poly (N-isopropylacrylamide)”, J. Biomed. Mater. Res., 27(10), 1243-1251 (1993)

11. K. Nishida, M. Yamato, Y. Hayashida, K. Watanabe, N. Maeda, H. Watanabe, S. Nagai, A. Kikuchi, Y. Tano and T. Okano, “Functional bioengineered corneal epithelial sheet grafts from corneal stem cells expanded ex vivo on a temperature-responsive cell culture surface”, Transplantation, 77(3), 379-385 (2004).

12. K. Nishida, M. Yamato, Y. Hayashida, K. Watanabe, K. Yamamoto, E. Adachi, S. Nagai, A. Kikuchi, N. Maeda, H. Watanabe, T. Okano and Y. Tano, “Corneal reconstruction with tissue-engineered cell sheets composed of autologous oral mucosal epithelium”, N. Engl. J. Med., 351 (12), 1187-1196 (2004).

13. T. Shimizu, M. Yamato, A. Kikuchi and T. Okano, “Two-dimensional manipulation of cardiac myocyte sheets utilizing temperature-responsive culture dishes augments the pulsatile amplitude”, Tissue Engineering, 7(2), 141-151 (2001).

14. T. Shimizu, M. Yamato, Y. Isoi, T. Akutsu, T. Setomaru, K. Abe, A. Kikuchi, M. Umezu and T. Okano, “Fabrication of pulsatile cardiac tissue grafts using a novel 3-dimensional cell sheet manipulation technique and temperature-responsive cell culture surfaces”, Circ Res. 90:e40-e48 (2002).

15. Y. Haraguchi, T. Shimizu, M. Yamato, A Kikuchi and, T. Okano, “Electrical coupling of cardiomyocyte sheets occurs rapidly via functional gap junction formation”, Biomaterials, 27 (27), 4765-4774 (2006).

16. H. Sekine, T. Shimizu, S. Kosaka, E. Kobayashi and T. Okano, “Cardiomyocyte bridging between hearts and bio-engineered myocardial tissues with mesenchymal transition of mesothelial cells”, J. Heart Lung Transplant., 25 (3), 324-332 (2006).

17. T. Shimizu, H. Sekine, J. Yang, Y. Isoi, M. Yamato, A. Kikuchi, E. Kobayashi and T. Okano, “Polysurgery of cell sheet grafts overcomes diffusion limits to produce thick, vascularized myocardial tissues”, FASEB J., 20 (6), 708-710 (2006).

18. H. Hata, G. Matsumiya, S. Miyagawa, H. Kondo, N. Kawaguchi, N. Matsuura, T. Shimizu, T. Okano, H. Matsuda Hikaru and Y. Sawa, “Grafted skeletal myoblast sheets attenuate myocardial remodeling in pacing-induced canine heart failure model”, J. Thorac. Cardiovasc. Surg., 132 (4) 918-924 (2006).

19. Y. Miyahara, N. Nagaya, M. Kataoka, B. Yanagawa, K. Tanaka, H. Hao, K. Ishino, H. Ishida, T. Shimizu, K. Kangawa, S. Sano, T. Okano, S. Kitamura and H. Mori, “Monolayered mesenchymal stem cells repair scarred myocardium after myocardial infarction”, Nature Med., 12 (4), 459-465 (2006).

Dr Antonio Cricenti

(CNR, Italy and Vanderbilt University, USA)

Related Information
Scanning Probe Microscopy dept.
CNR, ISM
Vanderbilt University

An overview of research activity in the field of Scanning Probe Microscopy taking place in Rome, Lausanne and at Vanderbilt is presented. Several applications in Material Science and Biology will be presented as well some recent developments in instrumentation.

Prof. Silvia Morante

(Università degli Studi di Roma Tor Vergata)

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Università degli Studi di Roma Tor Vergata

Molecular biology is nowadays strongly overlapped with supramolecular chemistry. An important aspect of supramolecular chemistry, which has recently come to the attention of the scientific community, is the structural role played by metals in intra-molecular and inter-molecular interactions.

Metals are essential elements for many of the fundamental activities of cells and their storing, metabolism and trafficking is mediated by many proteins via well tuned mechanisms because of the toxicity of free ions.
Recently the high sociological impact of neuro-degenerative diseases (like Alzheimer disease, BSE, Parkinson disease, etc.) has pushed the attention of researchers, both from the Biophysical and Biomedical point of view, towards the problem of mis-folding that is a common phenomenon in all amyloidosis pathologies and is regarded as a possible cause of aggregation of protein and plaque formation.

It has been observed that very often plaques contain large amounts of transition metal ions (like Cu+2, Fe+3 and Zn+2). None of the experimental techniques used so far, has been able, however, to unambiguously reconstruct the local structure around the metal ions and elucidate the role they possibly play in the mis-folding process.
I will show the contributions we have given in this direction by using both X-ray Absorption Spectroscopy and ab initio Car-Parrinello Molecular Dynamics in two very much studied systems: Prion Protein and Aβ-amyloids.

Prof. Mauro Rovere

(Università Roma Tre)

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Theory of Structural and DynamicalProperties of Fluids
Università Roma tre

Water plays an important role in many natural processes where it is confined or at contact with substrates. Examples can be found in different fields of geology, biology, chemical engineering. Changes in the static and dynamical properties of water are expected to take place for the geometrical constraints and the interaction with the different substrates. In particular it has been shown that confined water can be more easily supercooled in experiments.
The presentation summarizes Molecular Dynamics results obtained for water confined in a silica pore and presents recent results on water embedded in a hydrophobic matrix. For water confined in a silica pore it is found that the interaction with the hydrophilic surface and the geometrical constraints give rise to layering effects of great relevance in modifying static and dynamical properties with respect to the bulk phase. For water at contact with an hydrophobic matrix a study of the thermodynamical behaviour upon supercooling shows modifications in the limit of stability of water. The hydrophobic effect however does not change the general trends of the liquid spinodal.

Prof. Maurizio De Crescenzi

(Università degli Studi di Roma Tor Vergata)

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Nano Phd School
Università degli Studi di Roma Tor Vergata

Photovoltaic effect has always relied on semiconductors p-n junctions based on doped silicon or III-V-semiconductors. Recently, however, the use of carbon nanotubes has evoked large promises to increase the potential of light conversion and current generation (1). Carbon nanotubes in fact possess extended π-electron systems and characteristic van Hove singularities, which in combination with photoexcitable electron donors can provide the basic structural element for efficient photovoltaic conversion devices as demonstrated by Lee et al. (2) and by Guldi et al. (3). However single wall carbon nanotubes (SWCNTs) have shown a low efficiency (0.2%). Relative to SWCNTs, multi wall carbon nanotubes (MWCNTs) present a number of important applicative advantages. In particular, they are slightly easier to process than SWCNTs, because they generally do not form bundles and are found to be straight. Moreover, due the large number of concentric graphitic inner shells, they appear more suitable for achieving charge transfer and charge transport. Remarkably, also MWCNTs can be good light converters as shown by our own recent measurements reported in Ref. (4). We have demonstrated in fact the ability of multi wall carbon nanotubes to generate photocurrent upon the whole visible and ultraviolet spectral range.
Photocurrent measurement of MWNTs/SiO2 electrode, put in an electrochemical cell, was excited with visible light and a solution of 0.5 M NaI and 0.01M I2 in acetonitrile has been used as electrolite. The maximum photon-to-current conversion efficiency is approximately 7%, about 50 times higher than that reported for single wall carbon nanotubes.
Our experience shows that the lifetimes of the charge separated species are enough long to consider nanotubes excellent candidates for the fabrication of photovoltaic nanodevices and solar energy conversion applications.

Photocurrent generation of nanometric Ge droplets has been also investigated by using the same electrochemical photocurrent apparatus. Ge dots have been grown depositing by MBE several nominal thicknesses of Ge (ranging from 0.5 to 15 nm) on clean SiO2 surface at room temperature and then annealed to reach full crystallization. The photocurrent signals always show a feature located at about 280 nm. This peak can be ascribed to the bulk direct electronic transitions located at X point of the Brillouin zone. Only in the case of 0.5 nm Ge film a broad and intense feature at 550 nm has been observed while the peak due to the bulk direct electronic transitions results to be dramatically reduced. Since this last sample is characterized by 5 nm nanodots medium size (the smallest among the measured samples) this broad band in the photocurrent can be due to quantum confinement effect. On the other hand we have already reported for this sample a significant increase of the energy band gap to approximately to 1.8 eV from STM I-V measurements (5). This means that only for very small quantum dots an efficient electron-hole separation occurs thus generating a significant photocurrent in the visible range. This result is of particular relevance for photovoltaic nanodevices and quantum dot based lasers.

(1) S.Barazzouk, S. Hotchandani, K. Vinodgopal, P. V. Kamat, J. Phys. Chem. B 108, 17015 (2004).
(2) J.U. Lee, Appl. Phys. Lett. 87, 073101 (2005).
(3) D.M.Guldi, G.M.A.Rahman, M.Prato, N.J.Jux, S.Qin, W.Ford, Angew.Chem.Int.Ed.44, 2015 (2005).
(4) P.Castrucci, F. Tombolini, M. Scarselli, E. Speiser, S. Del Gobbo, W. Richter, M.Diociaiuti,
M. De Crescenzi, Appl. Phys. Lett. 89, 253107 (2006).
(5) I.Berbezier, A. Karmous, A. Ronda, A. Sgarlata, A. Balzarotti, P. Castrucci, M. Scarselli,
M. De Crescenzi, Appl.Phys.Lett.89, 063122 (2006).

Prof. Svante Svensson

(Uppsala University, Sweden)

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Uppsala University

An overview of the activities at the HIKE facility at the KMC1 beamline at BESSY will be given. This facility gives possibility to perform electron spectroscopy studies at energies from 2-12 keV. The KMC1 beamline is based on a double crystal monochromator with possibilities to use Si(111) and Si(422) reflexes and the higher orders of these. At backscattering conditions the resolution is very high, notably in the higher orders.

The electron spectrometer is a high energy upgrade of the state of art R4000 spectrometer from Scienta AB.
In the seminar results from metallic multilayers, CIGS solar cells and from conducting polymer devices will be presented. For the first cases a depth profile down to 10-20 nm can be achieved. In the case of a porous polymer we show a depth profile up to 80 nm!It is my hope that we may have a fruitful discussion of the future use of these types of experiments crossing applied science and fundamental science as well as the line between physics and chemistry.

Prof. Rita Grandori

(Università degli Studi di Milano-Bicocca)

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UNIMIB

The possibility to preserve non-covalent interactions during mass spectrometric detection of macromolecules has opened exciting new perspectives in folding and binding studies. Although the forces that act on molecular structures in the gas phase are different from those in aqueous solutions, experiments and theory indicate that it is possible to detect native-like protein conformers and assemblies after ionization and desolvation by mass spectrometry. Results by nano-electrospray-ionization mass spectrometry (nano-ESI-MS) on these topics will be presented.
Reference proteins such as cytochrome c, myoglobin, ubiquitin and lysozyme have been used for the investigation of conformational effects in protein spectra.
Three other systems will be discussed as examples of non-covalent complexes: the hexameric arginine repressor (ArgR), the dimeric beta-lactoglobulin (BLG), and the tetrameric flavodoxin-like protein WrbA. The first one illustrates detection of complexes that are stabilized in solution exclusively by hydrophobic interactions. The second one describes the pH-dependent behavior of the protein in the pH range 2-11. The third one shows analysis of linked protein-protein and protein-ligand binding equilibria.

Dr. Simone Melchionna

(SOFT-INFM, Università degli studi di Roma La Sapienza)

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We present a computational method to model nano-sized systems, such as colloidal suspensions and DNA in solution. As compared to existing literature our model includes i) a new treatment of solid-fluid boundary conditions ii) effective potentials specific to gel-forming fluids iii) fluctuating hydrodynamics with stochastic forcing of the kinetic modes.
On the colloidal side, some preliminary results regarding deep quenching scenarios and gel-formation are presented. Regarding DNA, we expound a numerical study of DNA translocation across nanopores mimicking devices for automatic sequencing.

Dr. Leonardo Guidoni

(Universita’ di Roma La Sapienza)

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Università di Roma La Sapienza