Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β.

التفاصيل البيبلوغرافية
العنوان:	Using XAS to monitor radiation damage in real time and post-analysis, and investigation of systematic errors of fluorescence XAS for Cu-bound amyloid-β.
المؤلفون:	Ekanayake RSK; School of Physics, University of Melbourne, Australia., Streltsov VA; School of Physics, University of Melbourne, Australia.; The Florey Institute of Neuroscience and Mental Health, University of Melbourne, Australia., Best SP; School of Chemistry, University of Melbourne, Australia., Chantler CT; School of Physics, University of Melbourne, Australia.
المصدر:	Journal of applied crystallography [J Appl Crystallogr] 2024 Feb 01; Vol. 57 (Pt 1), pp. 125-139. Date of Electronic Publication: 2024 Feb 01 (Print Publication: 2024).
نوع المنشور:	Journal Article
اللغة:	English
بيانات الدورية:	Publisher: Wiley Online Library Country of Publication: United States NLM ID: 9876190 Publication Model: eCollection Cited Medium: Print ISSN: 0021-8898 (Print) Linking ISSN: 00218898 NLM ISO Abbreviation: J Appl Crystallogr Subsets: PubMed not MEDLINE
أسماء مطبوعة:	Publication: [Malden, MA] : Wiley Online Library Original Publication: Copenhagen, Munksgaard International Booksellers and Publishers.
مستخلص:	X-ray absorption spectroscopy (XAS) is a promising technique for determining structural information from sensitive biological samples, but high-accuracy X-ray absorption fine structure (XAFS) requires corrections of systematic errors in experimental data. Low-temperature XAS and room-temperature X-ray absorption spectro-electrochemical (XAS-EC) measurements of N-truncated amyloid-β samples were collected and corrected for systematic effects such as dead time, detector efficiencies, monochromator glitches, self-absorption, radiation damage and noise at higher wavenumber ( k ). A new protocol was developed using extended X-ray absorption fine structure (EXAFS) data analysis for monitoring radiation damage in real time and post-analysis. The reliability of the structural determinations and consistency were validated using the XAS measurement experimental uncertainty. The correction of detector pixel efficiencies improved the fitting χ ² by 12%. An improvement of about 2.5% of the structural fitting was obtained after dead-time corrections. Normalization allowed the elimination of 90% of the monochromator glitches. The remaining glitches were manually removed. The dispersion of spectra due to self-absorption was corrected. Standard errors of experimental measurements were propagated from pointwise variance of the spectra after systematic corrections. Calculated uncertainties were used in structural refinements for obtaining precise and reliable values of structural parameters including atomic bond lengths and thermal parameters. This has permitted hypothesis testing. (© Ruwini S. K. Ekanayake et al. 2024.)
References:	J Synchrotron Radiat. 2003 Jan 1;10(Pt 1):16-22. (PMID: 12511786) J Appl Crystallogr. 2016 Jul 06;49(Pt 4):1209-1222. (PMID: 27504076) Inorg Chem. 2006 Jun 12;45(12):4743-54. (PMID: 16749839) J Synchrotron Radiat. 1995 May 1;2(Pt 3):119-23. (PMID: 16714802) J Am Chem Soc. 2008 Dec 31;130(52):17826-35. (PMID: 19035781) J Synchrotron Radiat. 2012 Nov;19(Pt 6):863-8. (PMID: 23093743) J Synchrotron Radiat. 2012 Nov;19(Pt 6):849-50. (PMID: 23093741) IUCrJ. 2019 May 10;6(Pt 4):586-602. (PMID: 31316803) J Synchrotron Radiat. 2015 Sep;22(5):1147-50. (PMID: 26289264) J Synchrotron Radiat. 1999 May 1;6(Pt 3):264-5. (PMID: 15263272) J Synchrotron Radiat. 2020 Sep 1;27(Pt 5):1262-1277. (PMID: 32876602) J Synchrotron Radiat. 2015 Sep;22(5):1190-201. (PMID: 26289270) J Synchrotron Radiat. 2021 Sep 1;28(Pt 5):1476-1491. (PMID: 34475295) Angew Chem Int Ed Engl. 2008;47(47):9084-7. (PMID: 18932185) J Synchrotron Radiat. 2016 May;23(Pt 3):743-50. (PMID: 27140154) J Synchrotron Radiat. 2018 Jul 1;25(Pt 4):944-952. (PMID: 29979154) J Synchrotron Radiat. 2014 Jan;21(Pt 1):136-42. (PMID: 24365928) J Synchrotron Radiat. 2015 Mar;22(2):436-45. (PMID: 25723945) J Synchrotron Radiat. 2012 Nov;19(Pt 6):851-62. (PMID: 23093742) J Synchrotron Radiat. 2018 Jul 1;25(Pt 4):920-934. (PMID: 29979152) J Synchrotron Radiat. 2012 Nov;19(Pt 6):875-86. (PMID: 23093745) J Synchrotron Radiat. 2007 Jan;14(Pt 1):51-72. (PMID: 17211072) Curr Alzheimer Res. 2008 Dec;5(6):508-24. (PMID: 19075577) Anal Chem. 1986 Dec;58(14):2968-75. (PMID: 3813026) J Synchrotron Radiat. 2015 Jul;22(4):1008-21. (PMID: 26134805) J Biol Chem. 2008 Apr 18;283(16):10784-92. (PMID: 18234670) J Synchrotron Radiat. 1998 Jul 1;5(Pt 4):1227-34. (PMID: 16687826) Chem Rev. 2014 Sep 10;114(17):8499-541. (PMID: 25102317) J Mol Biol. 1999 May 7;288(3):413-26. (PMID: 10329151) J Synchrotron Radiat. 2018 Jul 1;25(Pt 4):972-980. (PMID: 29979158) Inorg Chem. 2019 May 6;58(9):6294-6311. (PMID: 31013069) J Synchrotron Radiat. 2005 Jul;12(Pt 4):537-41. (PMID: 15968136) Chem Commun (Camb). 2010 Dec 28;46(48):9137-9. (PMID: 21060917) J Synchrotron Radiat. 2021 Jul 1;28(Pt 4):1178-1183. (PMID: 34212882) J Synchrotron Radiat. 2013 Mar;20(Pt 2):347-54. (PMID: 23412493) Biophys J. 2008 Oct;95(7):3447-56. (PMID: 18599641) Phys Rev B Condens Matter. 1992 Aug 1;46(6):3283-3289. (PMID: 10004043) J Am Chem Soc. 2007 Feb 7;129(5):1065-75. (PMID: 17263387) Inorg Chem. 2018 Sep 17;57(18):11422-11435. (PMID: 30169035) Eur Biophys J. 2006 Apr;35(4):340-51. (PMID: 16404590) Acta Crystallogr D Biol Crystallogr. 2000 Jun;56(Pt 6):697-704. (PMID: 10818346) J Synchrotron Radiat. 2012 Mar;19(Pt 2):145-58. (PMID: 22338673) J Synchrotron Radiat. 2010 May;17(3):409-13. (PMID: 20400841) J Synchrotron Radiat. 2004 Nov 1;11(Pt 6):508; author reply 509. (PMID: 15496740)
فهرسة مساهمة:	Keywords: EXAFS; N-truncated amyloid pepides; X-ray absorption spectro-electrochemical measurements; XAS-EC; dead-time correction; extended X-ray absorption fine structure; radiation damage
تواريخ الأحداث:	Date Created: 20240207 Latest Revision: 20240210
رمز التحديث:	20240210
مُعرف محوري في PubMed:	PMC10840304
DOI:	10.1107/S1600576723010890
PMID:	38322727
قاعدة البيانات:	MEDLINE

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تدمد:	0021-8898
DOI:	10.1107/S1600576723010890