scholarly journals Molecular Properties of Bare and Microhydrated Vitamin B5–Calcium Complexes

2021 ◽  
Vol 22 (2) ◽  
pp. 692
Author(s):  
Davide Corinti ◽  
Barbara Chiavarino ◽  
Debora Scuderi ◽  
Caterina Fraschetti ◽  
Antonello Filippi ◽  
...  
Keyword(s):  
Gas Phase ◽  
Pantothenic Acid ◽  
Isomeric Form ◽  
Deprotonated Form ◽  
Linear Absorption ◽  
Vitamin B5 ◽  
Essential Nutrient ◽  
Calcium Complexes ◽  
Singly Charged ◽  
Phase Population

Pantothenic acid, also called vitamin B5, is an essential nutrient involved in several metabolic pathways. It shows a characteristic preference for interacting with Ca(II) ions, which are abundant in the extracellular media and act as secondary mediators in the activation of numerous biological functions. The bare deprotonated form of pantothenic acid, [panto-H]−, its complex with Ca(II) ion, [Ca(panto-H)]+, and singly charged micro-hydrated calcium pantothenate [Ca(panto-H)(H2O)]+ adduct have been obtained in the gas phase by electrospray ionization and assayed by mass spectrometry and IR multiple photon dissociation spectroscopy in the fingerprint spectral range. Quantum chemical calculations at the B3LYP(-D3) and MP2 levels of theory were performed to simulate geometries, thermochemical data, and linear absorption spectra of low-lying isomers, allowing us to assign the experimental absorptions to particular structural motifs. Pantothenate was found to exist in the gas phase as a single isomeric form showing deprotonation on the carboxylic moiety. On the contrary, free and monohydrated calcium complexes of deprotonated pantothenic acid both present at least two isomers participating in the gas-phase population, sharing the deprotonation of pantothenate on the carboxylic group and either a fourfold or fivefold coordination with calcium, thus justifying the strong affinity of pantothenate for the metal.

Signalling functions of coenzyme A and its derivatives in mammalian cells

2014 ◽  
Vol 42 (4) ◽  
pp. 1056-1062 ◽  
Author(s):  
Hongorzul Davaapil ◽  
Yugo Tsuchiya ◽  
Ivan Gout
Keyword(s):  
Mammalian Cells ◽  
Coenzyme A ◽  
Current Knowledge ◽  
Pantothenic Acid ◽  
Future Developments ◽  
Malonyl Coa ◽  
Vitamin B5 ◽  
Coa Thioesters ◽  
Living Organisms

In all living organisms, CoA (coenzyme A) is synthesized in a highly conserved process that requires pantothenic acid (vitamin B5), cysteine and ATP. CoA is uniquely designed to function as an acyl group carrier and a carbonyl-activating group in diverse biochemical reactions. The role of CoA and its thioester derivatives, including acetyl-CoA, malonyl-CoA and HMG-CoA (3-hydroxy-3-methylglutaryl-CoA), in the regulation of cellular metabolism has been extensively studied and documented. The main purpose of the present review is to summarize current knowledge on extracellular and intracellular signalling functions of CoA/CoA thioesters and to speculate on future developments in this area of research.

Production of a monoclonal antibody and its application in an optical biosensor based assay for the quantitative measurement of pantothenic acid (vitamin B5) in foodstuffs

2012 ◽  
Vol 134 (1) ◽  
pp. 540-545 ◽  
Author(s):  
Simon A. Haughey ◽  
Christopher T. Elliott ◽  
Michalina Oplatowska ◽  
Linda D. Stewart ◽  
Caroline Frizzell ◽  
...  
Keyword(s):  
Monoclonal Antibody ◽  
Quantitative Measurement ◽  
Pantothenic Acid ◽  
Optical Biosensor ◽  
Vitamin B5

Pantothenic Acid (Vitamin B5) in Infant Formula and Adult/Pediatric Nutritional Formula: First Action 2012.16

2013 ◽  
Vol 96 (3) ◽  
pp. 497-499 ◽  
Author(s):  
Pierre Andrieux ◽  
Patric Fontannaz ◽  
Tamara Kilinc ◽  
Esther Campos Giménez ◽  
Greg Jaudzems ◽  
...  
Keyword(s):  
Sample Preparation ◽  
Electrospray Ionization ◽  
Annual Meeting ◽  
Infant Formula ◽  
Chromatographic Analysis ◽  
Las Vegas ◽  
Pantothenic Acid ◽  
Simple Sample Preparation ◽  
Vitamin B5

Abstract The Stakeholder Panel on Infant Formula and Adult Nutritionals met during the AOAC Annual Meeting held September 30 to October 3, 2012 in Las Vegas, NV, to review data submitted for a method, pantothenic acid (Vitamin B5) in infant formula and adult/pediatric nutritional formula by ultra-performance LC (UPLC)-MS/MS. The method uses a simple sample preparation with chromatographic analysis by UPLC-MS/MS with positive electrospray ionization.

Development of an ELISA for Pantothenic Acid (Vitamin B5) for Application in the Nutrition and Biological Fields

1998 ◽  
Vol 19 (2-3) ◽  
pp. 167-194 ◽  
Author(s):  
Alain Gonthier ◽  
Paul Boullanger ◽  
Véronique Fayol ◽  
Daniel Jean Hartmann
Keyword(s):  
Pantothenic Acid ◽  
Vitamin B5

scholarly journals 5-Fluorouracil—Complete Insight into Its Neutral and Ionised Forms

Molecules ◽  
2019 ◽  
Vol 24 (20) ◽  
pp. 3683 ◽  
Author(s):  
Justyna Wielińska ◽  
Andrzej Nowacki ◽  
Beata Liberek
Keyword(s):  
Gas Phase ◽  
Cancer Drug ◽  
Mesomeric Effect ◽  
Deprotonated Form ◽  
Dft Methods ◽  
Charge Delocalization ◽  
Tautomeric Forms ◽  
Anti Cancer ◽  
Ph Range ◽  
Insight Into

5-Fluorouracil (5FU), a common anti-cancer drug, occurs in four tautomeric forms and possesses two potential sites of both protonation and deprotonation. Tautomeric and resonance structures of the ionized forms of 5FU create the systems of connected equilibriums. Since there are contradictory reports on the ionized forms of 5FU in the literature, complex theoretical studies on neutral, protonated and deprotonated forms of 5FU, based on the broad spectrum of DFT methods, are presented. These indicate that the O4 oxygen is more willingly protonated than the O2 oxygen and the N1 nitrogen is more willingly deprotonated than the N3 nitrogen in a gas phase. Such preferences are due to advantageous charge delocalization of the respective ions, which is demonstrated by the NBO and ESP analyses. In an aqueous phase, stability differences between respective protonated and deprotonated forms of 5FU are significantly diminished due to the competition between the mesomeric effect and solvation. The calculated pKa values of the protonated, neutral and singly deprotonated 5FU indicate that 5FU does not exist in the protonated and double-deprotonated forms in the pH range of 0–14. The neutral form dominates below pH 8 and the N1 deprotonated form dominates above pH 8.

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