Search results for: Ivano Bertini

Items from 1 to 20 out of 225 results

article

The origin of water on Earth: stars or diamonds?

Rossella Spiga, Cesare Barbieri, Ivano Bertini, Monica Lazzarin, more

Rendiconti Lincei. Scienze Fisiche e Naturali > 2019 > 30 > 2 > 261-268

This contribution deals with two different hypotheses on the origin of superficial water on the Earth: the Endogenous hypothesis and the Exogenous one. They proposed that water either was brought to the surface of the Earth from the deep interior of the Earth or would have come to the Earth from celestial bodies that bombarded the planet billions of years ago. The evidence from recent astronomical...

chapter

The ¹H NMR parameters of magnetically coupled dimers—The Fe₂S₂ proteins as an example

Lucia Banci, Ivano Bertini, Claudio Luchinat

Structure and Bonding > Bioinorganic Chemistry > 113-136

The theoretical approach to the understanding of the NMR parameters in paramagnetic exchange coupled dimers is discussed and simplified formulas are provided. The effect of magnetic coupling on electron relaxation times in magnetic coupled heterodimetallic systems is also discussed. The ¹H NMR spectra of two oxidized and reduced Fe₂S₂-ferredoxins are interpreted and structural information is obtained...

article

Chemical shift-based constraints for solution structure determination of paramagnetic low-spin heme proteins with bis-His and His-CN axial ligands: the cases of oxidized cytochrome b5 and Met80Ala cyano-cytochrome c

Lucia Banci, Ivano Bertini, Gabriele Cavallaro, Claudio Luchinat

Abstract. The chemical shifts of the methyl protons of protoporphyrin IX, which are readily assigned, are related to the structural features of the axial histidine ligands in heme proteins with bis-His or His-CN axial coordination (Bertini I, Luchinat C, Parigi G, Walker FA (1999) JBIC 4:515519). In the present paper, a module is developed which transforms the chemical shifts into a pseudo-potential...

chapter

The electronic structure of FeS centers in proteins and models a contribution to the understanding of their electron transfer properties

Ivano Bertini, Stefano Ciurli, Claudio Luchinat

Structure and Bonding > Iron-Sulfur Proteins Perovskites > 1-53

Iron-sulfur polymetallic centers pose interesting questions on the oxidation state of each metal ion, on the possibility of electron delocalization over the metal ions versus the possibility of existence of equilibria among different localized-valence states, and on the factors determining if, and to what extent, electron delocalization is present. By interpreting the hyperfine coupling of unpaired...

chapter

Modelling of the Structure and Light Scattering of Individual Dust Particles

Ivano Bertini, Nicolas Thomas, Cesare Barbieri

Astrophysics and Space Science Library > The New Rosetta Targets > 167-176

Cometary dust environment modelling is required to make predictions for the European Space Agency’s Rosetta mission. Following results from pre-planetary dust aggregation experiments both on Earth and in space (CODAG), we have developed a code to generate and study the morphological properties of dust chains characterized by a fractal mass dimension D _f∼1.3. We are now analysing the scattering...

chapter

Carbonic anhydrase: An insight into the zinc binding site and into the active cavity through metal substitution

Ivano Bertini, Claudio Luchinat, Andrea Scozzafava

Structure and Bonding > Biochemistry > 45-92

article

Metabolomic fingerprint of heart failure in humans: A nuclear magnetic resonance spectroscopy analysis

Leonardo Tenori, Xiaoyu Hu, Pietro Pantaleo, Brunetto Alterini, more

International Journal of Cardiology > 2013 > 168 > 4 > e113-e115

article

Global metabolomics characterization of bacteria: pre-analytical treatments and profiling

Ivano Bertini, Xiaoyu Hu, Claudio Luchinat

Metabolomics > 2014 > 10 > 2 > 241-249

Pre-analytical treatments of bacteria are crucial steps in bacterial metabolomics studies. In order to achieve reliable samples that can best represent the global metabolic profile in vivo both qualitatively and quantitatively, many sample treatment procedures have been developed. The use of different methods makes it difficult to compare the results among different groups. In this work, E. coli samples...

article

Phenotyping COPD by ¹H NMR metabolomics of exhaled breath condensate

Ivano Bertini, Claudio Luchinat, Massimo Miniati, Simonetta Monti, more

Metabolomics > 2014 > 10 > 2 > 302-311

Spirometry is used to establish the diagnosis of chronic obstructive pulmonary disease (COPD) and to assess disease progression, but it seems inadequate to characterize COPD phenotypes. Metabolomics has been introduced for molecular fingerprinting of biosamples in a variety of clinical disorders. The aim of the study was to establish whether exhaled breath condensate (EBC) in COPD features a distinct...

article

The G‐Triplex DNA

Vittorio Limongelli, Stefano De Tito, Linda Cerofolini, Marco Fragai, more

Angewandte Chemie > 125 > 8 > 2325 - 2329

Triplex als Alternative: Metadynamikrechnungen deuten darauf hin, dass das Thrombin bindende Aptamer (TBA) neben dem üblichen G‐Quadruplex auch eine stabile G‐Triplex‐Struktur einnehmen kann (siehe Schema; rote Kugel: K⁺‐Ion). Ein 11‐mer‐Oligonucleotid bildet ebenfalls einen stabilen G‐Triplex, dessen Struktur und thermodynamische Eigenschaften charakterisiert wurden.

article

The G‐Triplex DNA

Vittorio Limongelli, Stefano De Tito, Linda Cerofolini, Marco Fragai, more

Angewandte Chemie International Edition > 52 > 8 > 2269 - 2273

Triplex with a twist: Through metadynamics calculations, the thrombin binding aptamer (TBA) has been shown to adopt a stable G‐triplex structural motif, in addition to the usual G‐quadruplex (see scheme). An 11‐mer oligonucleotide was also shown to form a stable G‐triplex, whose structural and thermodynamic properties have been characterized.

article

An Intrinsically Disordered Domain Has a Dual Function Coupled to Compartment-Dependent Redox Control

Lucia Banci, Ivano Bertini, Chiara Cefaro, Simone Ciofi-Baffoni, more

Journal of Molecular Biology > 2013 > 425 > 3 > 594-608

The functional role of unstructured protein domains is an emerging field in the frame of intrinsically disordered proteins. The involvement of intrinsically disordered domains (IDDs) in protein targeting and biogenesis processes in mitochondria is so far not known. Here, we have characterized the structural/dynamic and functional properties of an IDD of the sulfhydryl oxidase ALR (augmenter of liver...

article

Solution structure and dynamics of human S100A14

Ivano Bertini, Valentina Borsi, Linda Cerofolini, Soumyasri Das Gupta, more

JBIC Journal of Biological Inorganic Chemistry > 2013 > 18 > 2 > 183-194

Human S100A14 is a member of the EF-hand calcium-binding protein family that has only recently been described in terms of its functional and pathological properties. The protein is overexpressed in a variety of tumor cells and it has been shown to trigger receptor for advanced glycation end products (RAGE)-dependent signaling in cell cultures. The solution structure of homodimeric S100A14 in the apo...

article

Corrigendum to “X-ray, NMR and molecular dynamics studies on reduced bovine superoxide dismutase: Implications for the mechanism” [Biochem. Biophys. Res. Commun. 202 (1994) 1088–1095]

Lucia Banci, Ivano Bertini, Bruno Bruni, Paolo Carloni, more

Biochemical and Biophysical Research Communications > 2012 > 427 > 2 > 439

article

Structural characterization of CHCHD5 and CHCHD7: Two atypical human twin CX9C proteins

Lucia Banci, Ivano Bertini, Simone Ciofi-Baffoni, Deepa Jaiswal, more

Journal of Structural Biology > 2012 > 180 > 1 > 190-200

Twin CX ₉ C proteins constitute a large protein family among all eukaryotes; are putative substrates of the mitochondrial Mia40-dependent import machinery; contain a coiled coil-helix-coiled coil-helix (CHCH) fold stabilized by two disulfide bonds as exemplified by three structures available for this family. However, they considerably differ at the primary sequence level and this prevents...

article

In vitro fermentation of potential prebiotic flours from natural sources: Impact on the human colonic microbiota and metabolome

Simone Maccaferri, Annett Klinder, Stefano Cacciatore, Roberto Chitarrari, more

Molecular Nutrition & Food Research > 56 > 8 > 1342 - 1352

ScopeFibers and prebiotics represent a useful dietary approach for modulating the human gut microbiome. Therefore, aim of the present study was to investigate the impact of four flours (wholegrain rye, wholegrain wheat, chickpeas and lentils 50:50, and barley milled grains), characterized by a naturally high content in dietary fibers, on the intestinal microbiota composition and metabolomic output...

article

Exploration of serum metabolomic profiles and outcomes in women with metastatic breast cancer: A pilot study

Leonardo Tenori, Catherine Oakman, Wederson M. Claudino, Patrizia Bernini, more

Molecular Oncology > 2012 > 6 > 4 > 437-444

Metabolomics, a global study of metabolites and small molecules, is a novel expanding field. In this pilot study, metabolomics has been applied to serum samples from women with metastatic breast cancer to explore outcomes and response to treatment.Pre-treatment and serial on-treatment serum samples were available from an international clinical trial in which 579 women with metastatic breast cancer...

article

Search for satellites near (21) Lutetia using OSIRIS/Rosetta images

Ivano Bertini, Walter Sabolo, Pedro J. Gutierrez, Francesco Marzari, more

Planetary and Space Science > 2012 > 66 > 1 > 64-70

On 2010 July 10 the ESA Rosetta mission flew by the large asteroid (21) Lutetia. One of the scientific goals of the onboard OSIRIS instrument was the search for satellites of the asteroid, with more than 20 images specifically dedicated to this topic. An observational campaign was devised with a selection of filters and exposure times tailored to maximize the possibility of detecting small companions...

article

A bioinformatics view of zinc enzymes

Claudia Andreini, Ivano Bertini

Journal of Inorganic Biochemistry > 2012 > 111 > Complete > 150-156

Thanks to the contributions of scientists like Bert Vallee, zinc enzymology is an area of research with a rich history and a strong basis of biochemical and biophysical knowledge. In recent years, the dramatic development of the genomic and post-genomic research has provided this as well as all other fields of life sciences with a massive body of new data, including, but not limited to, protein sequence...

article

The catalytic domain of MMP-1 studied through tagged lanthanides

Ivano Bertini, Vito Calderone, Linda Cerofolini, Marco Fragai, more

FEBS Letters > 2012 > 586 > 5 > 557-567

Pseudocontact shifts (pcs) and paramagnetic residual dipolar couplings (rdc) provide structural information that can be used to assess the adequacy of a crystallographic structure to represent the solution structure of a protein. This can be done by attaching a lanthanide binding tag to the protein. There are cases in which only local rearrangements are sufficient to match the NMR data and cases where...

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INFONA - science communication portal

Search results for: Ivano Bertini

The origin of water on Earth: stars or diamonds?

The ¹H NMR parameters of magnetically coupled dimers—The Fe₂S₂ proteins as an example

Chemical shift-based constraints for solution structure determination of paramagnetic low-spin heme proteins with bis-His and His-CN axial ligands: the cases of oxidized cytochrome b5 and Met80Ala cyano-cytochrome c

The electronic structure of FeS centers in proteins and models a contribution to the understanding of their electron transfer properties

Modelling of the Structure and Light Scattering of Individual Dust Particles

Carbonic anhydrase: An insight into the zinc binding site and into the active cavity through metal substitution

Metabolomic fingerprint of heart failure in humans: A nuclear magnetic resonance spectroscopy analysis

Global metabolomics characterization of bacteria: pre-analytical treatments and profiling

Phenotyping COPD by ¹H NMR metabolomics of exhaled breath condensate

The G‐Triplex DNA

The G‐Triplex DNA

An Intrinsically Disordered Domain Has a Dual Function Coupled to Compartment-Dependent Redox Control

Solution structure and dynamics of human S100A14

Corrigendum to “X-ray, NMR and molecular dynamics studies on reduced bovine superoxide dismutase: Implications for the mechanism” [Biochem. Biophys. Res. Commun. 202 (1994) 1088–1095]

Structural characterization of CHCHD5 and CHCHD7: Two atypical human twin CX9C proteins

In vitro fermentation of potential prebiotic flours from natural sources: Impact on the human colonic microbiota and metabolome

Exploration of serum metabolomic profiles and outcomes in women with metastatic breast cancer: A pilot study

Search for satellites near (21) Lutetia using OSIRIS/Rosetta images

A bioinformatics view of zinc enzymes

The catalytic domain of MMP-1 studied through tagged lanthanides

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