Výsledky vyhledávání - "POLIDORI G 2"

Direct Methods in powder diffraction - applications

Autor: GIACOVAZZO C 1, ALTOMARE A 1, BURLA MC 2, CARROZZINI B 1, CASCARANO GL 1, GUAGLIARDI A 1, MOLITERNI AGG 1, POLIDORI G 2, RIZZI R 1

Publikováno v: Structure Determination from Powder Diffraction Data, edited by DAVID W.I.F., SHANKLAND K., MCCUSKER L.B., BAERLOCHER C., pp. 190–201, 2002
info:cnr-pdr/source/autori:GIACOVAZZO C 1; ALTOMARE A 1; BURLA MC 2; CARROZZINI B 1; CASCARANO GL 1; GUAGLIARDI A 1; MOLITERNI AGG 1; POLIDORI G 2; RIZZI R 1/titolo:Direct Methods in powder diffraction-applications/titolo_volume:Structure Determination from Powder Diffraction Data/curatori_volume:DAVID W.I.F., SHANKLAND K., MCCUSKER L.B., BAERLOCHER C./editore:/anno:2002

This chapter focuses on the performance of a particular software package, EXPO, against a wide range of test datasets. In EXPO, the intensity extraction and Direct methods stages are intimately linked to help overcome the reflection overlap problem.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=cnr_________::f790dc4d3bf18ded5c918de454ed95a5
http://www.cnr.it/prodotto/i/228033

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Quanto: a Rietveld program for quantitative phase analysis of polycrystalline mixtures

Autor: Altomare A 1., Burla M.C. 2, Giacovazzo C.3, Guagliardi A.1, Moliterni A.G.G. 1, Polidori G. 2, Rizzi R. 1

Publikováno v: Journal of applied crystallography 34 (2001): 392–397.
info:cnr-pdr/source/autori:Altomare A 1., Burla M.C. 2, Giacovazzo C.3, Guagliardi A.1, Moliterni A.G.G. 1, Polidori G. 2, Rizzi R. 1/titolo:Quanto. A Rietveld Program for quantitative phase analysis of polycrystalline mixtures/doi:/rivista:Journal of applied crystallography/anno:2001/pagina_da:392/pagina_a:397/intervallo_pagine:392–397/volume:34

Quantitative determination of phase abundance in a multicomponent polycrystalline mixture is a basic goal in materials characterization. Because of several advantages compared with traditional techniques, the Rietveld method has been increasingly app

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4288972a631addb49678bbe744924a8e
http://hdl.handle.net/11391/157945

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About difference electron densities and their properties

Autor: Maria Cristina Burla, Giampiero Polidori, Carmelo Giacovazzo, Giovanni Luca Cascarano, Benedetta Carrozzini

Publikováno v: Acta crystallographica. Section A, Foundations of crystallography 73 (2017): 460–473. doi:10.1107/S2053273317011585
info:cnr-pdr/source/autori:Burla M.C. 1-2); Carrozzini B. 2); Cascarano G.L. 2); Giacovazzo C. 2); Polidori G. 2)/titolo:About difference electron densities and their properties/doi:10.1107%2FS2053273317011585/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2017/pagina_da:460/pagina_a:473/intervallo_pagine:460–473/volume:73

Difference electron densities do not play a central role in modern phase refinement approaches, essentially because of the explosive success of the EDM (electron-density modification) techniques, mainly based on observed electron-density syntheses. D

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::853f137e50b92ee3397a559f551af24a
https://pubmed.ncbi.nlm.nih.gov/29072199

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Solving proteins at non-atomic resolution by direct methods: Update

Autor: Giovanni Luca Cascarano, Giampiero Polidori, Carmelo Giacovazzo, Maria Cristina Burla, Benedetta Carrozzini

Publikováno v: Journal of applied crystallography 50 (2017): 1048–1055. doi:10.1107/S1600576717007300
info:cnr-pdr/source/autori:Burla M.C. 1-2); Carrozzini B. 2); Cascarano G.L. 2); Giacovazzo C. 2); Polidori G. 2)/titolo:Solving proteins at non-atomic resolution by direct methods: Update/doi:10.1107%2FS1600576717007300/rivista:Journal of applied crystallography/anno:2017/pagina_da:1048/pagina_a:1055/intervallo_pagine:1048–1055/volume:50

Direct methods can be used to solve proteins of great structural complexity even when diffraction data are at non-atomic resolution. However, one of the main obstacles to the wider application of direct methods is that they reliably phase only a smal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92d7194c0e97ab90c619021c4f5e244f
https://publications.cnr.it/doc/378272

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SIR2000, a program for the automatic ab initio crystal structure solution of proteins

Autor: Carmelo Giacovazzo, Mercedes Camalli, Maria Cristina Burla, Riccardo Spagna, Benedetta Carrozzini, Giovanni Luca Cascarano, Giampiero Polidori

Publikováno v: Acta crystallographica. Section A, Foundations of crystallography 56 (2000): 451–457. doi:10.1107/S0108767300006966
info:cnr-pdr/source/autori:BURLA M.C. 2; CAMALLI M 3; CARROZZINI B 4; CASCARANO GL 4 ; GIACOVAZZO C 1,4; POLIDORI G 2 & SPAGNA R 3/titolo:SIR2000, a program for the automatic ab initio crystal structure solution of proteins/doi:10.1107%2FS0108767300006966/rivista:Acta crystallographica. Section A, Foundations of crystallography/anno:2000/pagina_da:451/pagina_a:457/intervallo_pagine:451–457/volume:56

A new phasing procedure is described working both in direct and in reciprocal space. The procedure has been implemented into the program SIR2000, the heir to SIR99, and it is able routinely to solve ab initio crystal structures of proteins without an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a4100ef2a0e53147651edc0c6038bd2

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EXPO: a program for full powder pattern decomposition and crystal structure solution

Autor: Giampiero Polidori, Carmelo Giacovazzo, Mercedes Camalli, Maria Cristina Burla, Angela Altomare, Anna Moliterni, Benedetta Carrozzini, Rosanna Rizzi, Antonietta Guagliardi, Giovanni Luca Cascarano

Publikováno v: Scopus-Elsevier
Journal of applied crystallography 32 (1999): 339–340. doi:10.1107/S0021889898007729
info:cnr-pdr/source/autori:ALTOMARE A 1; BURLA MC 2; CAMALLI M 3; CARROZZINI B 1; CASCARANO GL 1; GIACOVAZZO C 1; GUAGLIARDI A 1; MOLITERNI AGG 1; POLIDORI G 2 ; RIZZI R 1/titolo:EXPO: a program for full powder pattern decomposition and crystal structure solution/doi:10.1107%2FS0021889898007729/rivista:Journal of applied crystallography/anno:1999/pagina_da:339/pagina_a:340/intervallo_pagine:339–340/volume:32

EXPOis the integration of two programs,EXTRAandSIRPOW.92, the first devoted to full powder pattern decomposition and the second to the solution and refinement of crystal structures. The program is able to exploit the prior information obtained during

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e22599f99290df31a3b15092d6531dc
https://doi.org/10.1107/s0021889898007729

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Toward EXPO: From the powder pattern to the crystal structure

Autor: Benedetta Carrozzini, Antonietta Guagliardi, A. G. G. Moliterni, C. Giacovazzo, Angela Altomare, G. Cascarano, Maria Cristina Burla, Giampiero Polidori, Rosanna Rizzi, Mercedes Camalli

Publikováno v: Scopus-Elsevier
5th European Powder Diffraction Conference EPDIC-5, pp. 284–288, Parma, Italy, 25-28/05/1997
info:cnr-pdr/source/autori:ALTOMARE A 1; BURLA MC 2; CAMALLI M 3; CARROZZINI B 1; CASCARANO GL 1; GIACOVAZZO C 1; GUAGLIARDI A 1; MOLITERNI AGG 1; POLIDORI G 2; RIZZI R 1/congresso_nome:5th European Powder Diffraction Conference EPDIC-5/congresso_luogo:Parma, Italy/congresso_data:25-28%2F05%2F1997/anno:1998/pagina_da:284/pagina_a:288/intervallo_pagine:284–288

Recently devised techniques for powder pattern decomposition will be discussed: they exploit the supplementary information available during the phasing process, so improving by far the pattern decomposition and the crystal structure solution process.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7a5519bce395d8a009de1a0cc7a5534
http://www.scopus.com/inward/record.url?eid=2-s2.0-0031626327&partnerID=MN8TOARS

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