scholarly journals Catalytic mechanism of α-phosphate attack in dUTPase is revealed by X-ray crystallographic snapshots of distinct intermediates, 31P-NMR spectroscopy and reaction path modelling

2013 ◽  
Vol 41 (22) ◽  
pp. 10542-10555 ◽  
Author(s):  
Orsolya Barabás ◽  
Veronika Németh ◽  
Andrea Bodor ◽  
András Perczel ◽  
Edina Rosta ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
31P Nmr ◽  
Catalytic Mechanism ◽  
Reaction Path ◽  
31P Nmr Spectroscopy ◽  
X Ray ◽  
Path Modelling ◽  
Reaction Path Modelling

Synthesis, Characterization, and Crystal Structures of [Cu(ca2en)(PPh3)(X)] (X = Cl, Br, I, NCS, N3) Complexes

2003 ◽  
Vol 56 (4) ◽  
pp. 323 ◽  
Author(s):  
Guido Kickelbick ◽  
Mehdi Amirnasr ◽  
Aliakbar D. Khalaji ◽  
Saeed Dehghanpour
Keyword(s):  
Infrared Spectroscopy ◽  
Nmr Spectroscopy ◽  
31P Nmr ◽  
Mixed Ligand ◽  
Bond Breaking ◽  
31P Nmr Spectroscopy ◽  
Distorted Tetrahedron ◽  
Nmr Studies ◽  
X Ray ◽  
Elemental Analyses

Novel mixed-ligand copper(I) complexes, [Cu(ca2en)(PPh3)X] (ca2en = N,N′-bis(trans-cinnamaldehyde)-1,2-diaminoethane, X = Cl (1), Br (2), I (3), NCS (4), N3 (5)), have been synthesized and characterized by 1H and 31P NMR spectroscopy, infrared spectroscopy, and elemental analyses. The single crystal X-ray structures of complexes (1)–(5) have been determined. All five complexes reveal discrete monomeric structures in the crystal. The geometry around the copper atom is in each case a distorted tetrahedron, with the distortion most pronounced in (3). The NCS− and N3− are coordinated as terminal ligands and the NCS− ligand is N-bonded in (4). Dynamic 31P NMR studies show partial bond breaking in solution.

scholarly journals Synthesis and X-ray Diffraction Study of thiosemicarbazone Palladacycles with dppm

Proceedings ◽  
2021 ◽  
Vol 62 (1) ◽  
pp. 13
Author(s):  
Marcos Rúa-Sueiro ◽  
Paula Munin-Cruz ◽  
Francisco Reigosa ◽  
José M. Vila ◽  
Juan M. Ortigueira
Keyword(s):  
Nmr Spectroscopy ◽  
31P Nmr ◽  
Antimicrobial Agents ◽  
Cross Coupling ◽  
31P Nmr Spectroscopy ◽  
Coupling Reactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cross Coupling Reactions ◽  
Platinum Salt

Cyclometallated compounds have been extensively studied, in particular those with palladium and platinum. This is because of their possible applications in medicinal chemistry, as anticancer or antimicrobial agents; in some cases, with similar results as cisplatin, carboplatin or oxaliplatin. What is also remarkable is their use as homogeneous catalysts, for example, in cross coupling reactions such as Suzuki–Miyaura or Mizoroki–Heck. Herein, we report the synthesis of different thiosemicarbazone ligands, which will be reacted with a palladium or platinum salt, to give the corresponding cyclometallated compounds; in addition, their reactivity with bis(diphenylphosphino)methane (dppm) will be studied. Characterization has been carried out by elemental analysis, IR spectroscopy, 1H and 31P NMR spectroscopy. Additionally, 1c has been studied by X-ray diffraction.

scholarly journals Substituent effects in phosphine ligands

2011 ◽  
Vol 30 (1) ◽  
Author(s):  
C. Alicia Renison ◽  
D. Bradley G. Williams ◽  
Alfred J. Muller
Keyword(s):  
Nmr Spectroscopy ◽  
High Resolution ◽  
Molecular Modelling ◽  
31P Nmr ◽  
Substituent Effects ◽  
Phosphine Ligands ◽  
31P Nmr Spectroscopy ◽  
Electronic Effects ◽  
X Ray ◽  
X Ray Crystallography

The study illustrates the use of the P-atom to evaluate steric and electronic effects in P-containing organic compounds. The work involves the synthesis of substituted triarylphosphines and their corresponding Rh Vaska complexes. High resolution X-ray crystallography, molecular modelling, 31P NMR spectroscopy and IR will be used to quantify substituent effects.

Quantitative Determination of Krill Oil Composition by ATR-FTIR, NIR, and 31P NMR Spectroscopy

2020 ◽  
Author(s):  
Ashraf Ismail ◽  
Sanaz Molaye Moghaddam ◽  
Jean-Pierre MetabanzoulouSarya Aziz ◽  
Jacqueline Sedman ◽  
Mazen Bahadi
Keyword(s):  
Nmr Spectroscopy ◽  
Quantitative Determination ◽  
31P Nmr ◽  
31P Nmr Spectroscopy ◽  
Krill Oil ◽  
Oil Composition

Enzymatic decomposition of a locked nucleoside phosphoramidate monitored by 31P NMR spectroscopy

2014 ◽  
Author(s):  
Eliška Procházková ◽  
Hubert Hřebabecký ◽  
Radim Nencka ◽  
Martin Dračínský
Keyword(s):  
Nmr Spectroscopy ◽  
31P Nmr ◽  
31P Nmr Spectroscopy

scholarly journals Effect of Dietary Magnesium on Post Mortem Phosphocreatine Utilization in Skeletal Muscle of Swine: A Non-Invasive Study Using 31P-NMR Spectroscopy

1993 ◽  
Vol 34 (4) ◽  
pp. 397-404
Author(s):  
B. Moesgaard ◽  
I. Errebo Larsen ◽  
B. Quistorff ◽  
I. Therkelsen ◽  
V. Grøsfjeld Christensen ◽  
...  
Keyword(s):  
Skeletal Muscle ◽  
Nmr Spectroscopy ◽  
31P Nmr ◽  
31P Nmr Spectroscopy ◽  
Post Mortem ◽  
Non Invasive ◽  
Dietary Magnesium

Unravelling the dissolution mechanism of polyphosphate glasses by 31P NMR spectroscopy: ligand competition and reactivity of intermediate complexes

2021 ◽  
Author(s):  
Dahiana Andrea Avila Salazar ◽  
Peter Bellstedt ◽  
Atsuhiro Miura ◽  
Yuki Oi ◽  
Toshihiro Kasuga ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Biomedical Applications ◽  
Structural Changes ◽  
31P Nmr ◽  
Dissolution Mechanism ◽  
31P Nmr Spectroscopy ◽  
Glass Dissolution ◽  
Polyphosphate Glasses

Phosphate glass dissolution can be tailored via compositional and subsequent structural changes, which is of interest for biomedical applications such as therapeutic ion delivery. Here, solid-state 31P nuclear magnetic resonance...

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