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.
Synthesis of hexaphosphate by hydrolysis of cyclo-hexaphosphate
Watanabe, Makoto,Asai, Naoki,Sakurai, Makoto
, p. 387 - 394 (1997)
Sodium and ammonium hexaphosphates were prepared by hydrolyzing cyclo-hexaphosphate in a 10M sodium hydroxide solution at -7°C for 20h. Sodium hexaphosphate was amorphous and unstable at room temperature. Ammonium hexaphosphate was crystalline and stable at room temperature.
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.
A thermoanalytical study of synthetic carbonate-containing apatites
Tonsuaadu, K.,Peld, M.,Leskelae, T.,Mannonen, R.,Niinistoe, L.,Veiderma, M.
, p. 55 - 66 (1995)
Two series of carbonate-apatites, Ca10(PO4)6-x(CO3)x(F,OH)2, were synthesized by precipitating them from aqueous solutions followed by ripening at the precipitation temperature (20 or 80°C). Initial solutions contained Ca(2+), Mg(2+), NH4(1+), PO4(3-), F(1-), CO3(2-) and NO3(1-) ions; in the second series Na(1+) was added. The samples had low crystallinity but, nevertheless, showed the apatite structure as judged from XRDand IR. Thermal degradation was followed by simultaneous TG/DTA and TG/ EGA (evolved gas analysis) methods and by ex situ studies. The NH4(1+) containing samples (A, 20°C and B, 80°C) and two Na(1+)-containing samples (C and D, both at 80°C) were subjected to a detailed study. On the basis of EGA studies of sample A by FTIR, the first two exothermic peaks at 250-300°C could be assigned to the release of H2O and H2O + NH3, respectively: the remaining three at 350-710°C were due to CO2 evolution and changes in the apatite structure. For samples synthesized at 80°C, the DTA peaks were smaller than for sample A. The EGA peak due to NH3 was missing for Na(1+)-containing samples (C and D). For all samples, the residue at 1000°C had the hydroxy-fluorapatite structure. The TA and XRD data indicate that the crystal structure of the precipitated apatites is relatively labile. After the release of volatiles, however, thermally induced rearrangements take place leading to a more stable and crystalline phase.
Synthesis of double ammonium’calcium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O as the p recursor of biocompatible phases of calcium phosphate ceramics
Filippov, Ya. Yu.,Gavlina, O. T.,Kiselev, A. S.,Safronova, T. V.,Shatalova, T. B.
, p. 139 - 147 (2020)
Double calcium’ammonium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O was synthesized as a result of the interaction of calcium carbonate, an aqueous solution containing pyrophosphoric and lactic acids, and ammonia. The synthesized powder turned black after the thermal treatment in a range of 500—700 °C due to amorphous carbon, which is a product of the destruction of the organic nature components present in the prepared powder. After the thermal treatment at 500 °C, the powder is amorphous to X-rays. The phase composition of the powder after the thermal treatment at 600 °C is presented by β-calcium polyphosphate β-Са(PO3)2, while β-calcium polyphosphate β-Ca(PO3)2 and tromelite Ca4P6О19 are observed after the thermal treatment at 700 °C. The calcium phosphate powder colored due to presence of amorphous carbon can be used as a photocured suspension component that increases the resolution in stereolithographic printing of pre-ceramic semifinished products with a specified geometry of the pore space of calcium phosphate ceramic matrices. The synthesized powder of double calcium’ammonium pyrophosphate monohydrate Ca(NH4)2P2O7?H2O can be applied as a precursor of biocompatible phases for the fabrication of calcium phosphate ceramics used in medicine for the treatment of bone tissue defects.
Structure of (C3H5NH3)2H2P 2O7H2O
Soumhi,Saadoune,Driss,Jouini
, p. 699 - 706 (1998)
The bis(cyclopropylammonium)dihydrogenodiphosphate monohydrate is a new diphosphate associated with the organic molecule C3H5NH2. We report the chemical preparation and the crystal structure of this organic cation diphosphate. (C3H5NH3)2H2P 2O7H2O is orthorhombic (S.G. : P212121), with Z = 4 and the following unit-cell parameters : a = 4.828(1) A, b = 11.011(1) A, c = 25.645(2) A. The P2O7 groups and H2O water molecules form a succession of bidimensional layers perpendicular to the c axis. The organic cations ensure the three-dimensional cohesion by NH - O hydrogen bonds. Elsevier,.
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.
The effect of bisphosphonate acidity on the activity of a thymidylyltransferase
Beaton, Stephen A.,Jiang, Patricia M.,Melong, Jonathan C.,Loranger, Matthew W.,Mohamady, Samy,Veinot, Thomas I.,Jakeman, David L.
supporting information, p. 5473 - 5480 (2013/09/02)
Thymidylyltransferases (thymidine diphospho pyrophosphorylases) are nucleotidylyltransferases that play key roles in the biosynthesis of carbohydrate components within bacterial cell walls and in the biosynthesis of glycosylated natural products. They catalyze the formation of sugar nucleotides concomitant with the release of pyrophosphate. Protein engineering of thymidylyltransferases has been an approach for the production of a variety of non-physiological sugar nucleotides. In this work, we have explored chemical approaches towards modifying the activity of the thymidylyltransferase (Cps2L) cloned from S. pneumoniae, through the use of chemically synthesized 'activated' nucleoside triphosphates with enhanced leaving groups, or by switching the metal ion co-factor specificity. Within a series of phosphonate-containing nucleoside triphosphate analogues, thymidylyltransferase activity is enhanced based on the acidity of the leaving group and a Br?nsted-type analysis indicated that leaving group departure is rate limiting. We have also determined IC50 values for a series of bisphosphonates as inhibitors of thymidylyltransferases. No correlation between the acidity of the inhibitors (pKa) and the magnitude of enzyme inhibition was found. The Royal Society of Chemistry.
