NDLI: Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

Please wait, while we are loading the content...

Year: 2017 Volume: 52

Year: 2016 Volume: 51

Year: 2015 Volume: 50

Year: 2014 Volume: 49

Year: 2013 Volume: 48

Year: 2012 Volume: 47

Year: 2012 Volume: 47 Issue: 12

Year: 2012 Volume: 47 Issue: 11

Year: 2012 Volume: 47 Issue: 10

Year: 2012 Volume: 47 Issue: 9

Year: 2012 Volume: 47 Issue: 8

Year: 2012 Volume: 47 Issue: 7

Year: 2012 Volume: 47 Issue: 6

Year: 2012 Volume: 47 Issue: 5

Year: 2012 Volume: 47 Issue: 4

Year: 2012 Volume: 47 Issue: 3

Year: 2012 Volume: 47 Issue: 2

Improved sample preparation of glyphosate and methylphosphonic acid by EPA method 6800A and time-of-flight mass spectrometry using novel solid-phase extraction.

Molecular imaging of drug-eluting coronary stents: method development, optimization and selected applications.

Formation of oligomeric alkenylperoxides during the oxidation of unsaturated fatty acids: an electrospray ionization tandem mass spectrometry study.

Charge and substituent effects on the stability of porphyrin/G-quadruplex adducts.

Mass spectrometric characterization of phosphorylated peptides using MALDI in-source decay via redox reactions.

Evaluation of protein quantification using standard peptides containing single conservative amino acid replacements.

Identification and structural characterization of the synthetic cannabinoid 3-(1-adamantoyl)-1-pentylindole as an additive in 'herbal incense'.

Gas-flow assisted ion transfer for mass spectrometry.

Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

Observation of dimethylaminoethyl methacrylate-myoglobin binding reaction using laser spray mass spectrometry.

The use of mass defect in modern mass spectrometry.

Sucrose cryo-protection facilitates imaging of whole eye sections by MALDI mass spectrometry.

Detection and quantitation of a pheomelanin component in melanin pigments using pyrolysis-gas chromatography/tandem mass spectrometry system with multiple reaction monitoring mode.

Qualitative-(semi)quantitative data acquisition of artemisinin and its metabolites in rat plasma using an LTQ/Orbitrap mass spectrometer.

New cathinone-derived designer drugs 3-bromomethcathinone and 3-fluoromethcathinone: studies on their metabolism in rat urine and human liver microsomes using GC-MS and LC-high-resolution MS and their detectability in urine.

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library. 3. Focus on ion trap and upfront CID.

Year: 2012 Volume: 47 Issue: 1

Year: 2011 Volume: 46

Year: 2010 Volume: 45

Year: 2009 Volume: 44

Year: 2008 Volume: 43

Year: 2007 Volume: 42

Year: 2006 Volume: 41

Year: 2005 Volume: 40

Year: 2004 Volume: 39

Year: 1996 Volume: 31

Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Afonso, Carlos Tabet, Jean-Claude Giorgi, Gianluca Turecek, Frantisek
Description	Country affiliation: France Author Affiliation: Afonso C ( Institut Parisien de Chimie Moléculaire, CNRS-UMR 7201, Université Pierre et Marie Curie-Paris 6, 4 place Jussieu, Paris, France.)
Abstract	Copper complexes with a cyclic D-His-ß-Ala-L-His-L-Lys and all-L-His-ß-Ala-His-Lys peptides were generated by electrospray which were doubly charged ions that had different formal oxidation states of Cu(I), Cu(II) and Cu(III) and different protonation states of the peptide ligands. Electron capture dissociation showed no substantial differences between the D-His and L-His complexes. All complexes underwent peptide cross-ring cleavages upon electron capture. The modes of ring cleavage depended on the formal oxidation state of the Cu ion and peptide protonation. Density functional theory (DFT) calculations, using the B3LYP with an effective core potential at Cu and M06-2X functionals, identified several precursor ion structures in which the Cu ion was threecoordinated to pentacoordinated by the His and Lys side-chain groups and the peptide amide or enolimine groups. The electronic structure of the formally Cu(III) complexes pointed to an effective Cu(I) oxidation state with the other charge residing in the peptide ligand. The relative energies of isomeric complexes of the [Cu(c-HAHK + H)](2+) and [Cu(c-HAHK - H)](2+) type with closed electronic shells followed similar orders when treated by the B3LYP and M06-2X functionals. Large differences between relative energies calculated by these methods were obtained for open-shell complexes of the [Cu(c-HAHK)](2+) type. Charge reduction resulted in lowering the coordination numbers for some Cu complexes that depended on the singlet or triplet spin state being formed. For [Cu(c-HAHK - H)](2+) complexes, solution H/D exchange involved only the N-H protons, resulting in the exchange of up to seven protons, as established by ultra-high mass resolution measurements. Contrasting the experiments, DFT calculations found the lowest energy structures for the gas-phase ions that were deprotonated at the peptide C( ) positions.
File Format	HTM / HTML
ISSN	10765174
Issue Number	2
Volume Number	47
e-ISSN	10969888
Journal	Journal of Mass Spectrometry
Language	English
Publisher	Wiley
Publisher Date	2012-02-01
Publisher Place	Great Britain (UK)
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Discipline Spectroscopy Discipline Chemistry Techniques Coordination Complexes Chemistry Copper Peptides, Cyclic Spectrometry, Mass, Electrospray Ionization Methods Metabolism Deuterium Exchange Measurement Electrons Oxidation-reduction Stereoisomerism Journal Article Research Support, Non-u.s. Gov't Research Support, U.s. Gov't, Non-p.h.s.
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Medicine

Central Library (ISO-9001:2015 Certified)
Indian Institute of Technology Kharagpur
Kharagpur, West Bengal, India | PIN - 721302

See location in the Map
03222 282435
Mail: support@ndl.gov.in

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in