14000-31-8Relevant articles and documents
Growth, single crystal investigation, hirshfeld surface analysis, DFT studies, molecular docking, physico-chemical characterization and, in vitro, antioxidant activity of a novel hybrid complex
Anouar, El Hassane,El Bakri, Youness,Gómez García, Carlos J.,Oueslati, Yathreb,Smirani, Wajda,Valkonen, Arto
, (2021)
Interaction of the diphosphoric acid (H4P2O7) and organic ligand (3.4-dimethylaniline) with transition metal ions, cobalt (II) chloride leads to the formation of novel stable Co(II)-diphosphate cluster with empirical formula (C8H12N)2[Co(H2P2O7)2(H2O)2].2H2O. The structure of the synthesized material was confirmed by single crystal XRD at 120 ?K. The crystal was plate and crystallized in the triclinic P 1ˉ space group with a ?= ?7.5340(4) ?, b ?= ?7.5445(4) ?, c ?= ?13.6896(8) ?, α ?= ?84.215(5)°, β ?= ?76.038(5)°, γ ?= ?74.284(5)°, V ?= ?726.38(7) ?3 and Z ?= ?1. Full-matrix least-squares refinement converged at R ?= ?0.035 and Rw ?= ?0.088 for 3636 independent observed reflections. Indeed, the purity phase was confirmed by the powder X-ray diffraction. A detailed analysis of the intermolecular close interactions and their percentage contribution has been performed based on the Hirshfeld surfaces and their associated two-dimensional fingerprint plots. In this context, spectroscopic studies were performed to distinguish the different chemical functional groups and their environments in this molecule. To determine the optical properties, the UV–Visible and luminescence behavior were investigated. The magnetic properties have been investigated in the temperature range 2–300 k. The geometry of the hybrid complex was optimized in the gas phase, using density functional theory (B3LYP) with the 6-31+G (d,p) basis sets, it is found that the calculated and the experimental results were in good consistency. Furthermore, the synthesized product was screened for its antioxidant activities. Molecular docking study was additionally carried.
Ueber die Reaktion von Harnstoff mit Ammoniumhydrogenamidophosphat unter dem Atmosphaerendruck
Shimasaki, Choichiro,Hara, Mitsunari
, p. 3613 - 3616 (1985)
Die Reaktion von Harnstoff mit Ammoniumhydrogenamidophosphat (NH4HPO3NH2) im Schmelzzustand unter dem Atmosphaerendruck ergibt, dass die Bildung des Guanidinumions (GH+) zusammen mit dem Phosphation bei ca. 160
Production of potentially prebiotic condensed phosphates by phosphorus redox chemistry
Pasek, Matthew A.,Kee, Terence P.,Bryant, David E.,Pavlov, Alexander A.,Lunine, Jonathan I.
, p. 7918 - 7920 (2008)
Bringing phosphorus to life: The prebiotic origin of key biomolecules such as RNA and ATP is contingent on a source of condensed phosphates, such as pyrophosphate and triphosphate. Condensed phosphates can be produced at high yields from the oxidation of H-phosphonate or H-phosphinate. Reactive phosphates were likely abundant on the early earth's surface, setting the stage for prebiotic chemistry that led to the evolution of life. (Figure Presented).
Mechanistic evaluation of a nucleoside tetraphosphate with a thymidylyltransferase
Forget, Stephanie M.,Smithen, Deborah A.,Jee, Alison,Jakeman, David L.
, p. 1703 - 1707 (2015)
Pyrimidine polyphosphates were first detected in cells 5 decades ago; however, their biological significance remains only partially resolved. Such nucleoside polyphosphates are believed to be produced nonspecifically by promiscuous enzymes. Herein, synthetically prepared deoxythymidine 5′-tetraphosphate (p4dT) was evaluated with a thymidylyltransferase, Cps2L. We have identified p4dT as a substrate for Cps2L and evaluated the reaction pathway by analysis of products using high-performance liquid chromatography, liquid chromatography and tandem mass spectrometry, and 31P nuclear magnetic resonance spectroscopy. Product analysis confirmed production of dTDP-Glc and triphosphate (P3) and showed no trace of dTTP-Glc and PPi, which could arise from alternative pathways for the reaction mechanism.
Lambert, S. M.,Watters, J. I.
, p. 4262 - 4265 (1957)
Trojan, M.
, p. 13 - 28 (1990)
Holt, A.,Myers, J. E.
, p. 384 - 391 (1911)
Reaction Mechanism of Iodine-Catalyzed Michael Additions
Von Der Heiden, Daniel,Bozkus, Seyma,Klussmann, Martin,Breugst, Martin
supporting information, p. 4037 - 4043 (2017/04/28)
Molecular iodine, an easy to handle solid, has been successfully employed as a catalyst in different organic transformations for more than 100 years. Despite being active even in very small amounts, the origin of this remarkable catalytic effect is still unknown. Both a halogen bond mechanism as well as hidden Br?nsted acid catalysis are frequently discussed as possible explanations. Our kinetic analyses reveal a reaction order of 1 in iodine, indicating that higher iodine species are not involved in the rate-limiting transition state. Our experimental investigations rule out hidden Br?nsted acid catalysis by partial decomposition of I2 to HI and suggest a halogen bond activation instead. Finally, molecular iodine turned out to be a similar if not superior catalyst for Michael additions compared with typical Lewis acids.
