scholarly journals Solid-State FTIR Spectroscopic Study of Two Binary Mixtures: Cefepime-Metronidazole and Cefoperazone-Sulbactam

2017 ◽  
Vol 2017 ◽  
pp. 1-6
Author(s):  
Hassan Refat H. Ali ◽  
Ramadan Ali ◽  
Hany A. Batakoushy ◽  
Sayed M. Derayea
Keyword(s):  
Solid State ◽  
Binary Mixtures ◽  
Process Monitoring ◽  
Molecular Interactions ◽  
Structural Information ◽  
Dosage Forms ◽  
Peak Areas ◽  
First Time ◽  
Antimicrobial Combinations ◽  
Preparative Process

The structural information of the pharmaceuticals and insights on the modes of molecular interactions are very important aspects in drug development. In this work, two cephalosporins and antimicrobial combinations, cefepime-metronidazole and cefoperazone-sulbactam, were studied in the solid state using FTIR spectroscopy for the first time. Quantitation of the studied drugs and their binary mixtures was performed by integrating the peak areas of the characteristic well-resolved bands:υ(C=O) band at 1773 cm−1for cefepime and ring torsion band at 826 cm−1for metronidazole andυ(C=O) band at 1715 cm−1for cefoperazone and ring torsion band at 1124 cm−1for sulbactam. The results of this work were compared with the relevant spectrophotometric reported methods. This study provides data that can be used for the preparative process monitoring of the studied drugs in various dosage forms.

scholarly journals Structural Prediction of the Dimeric Form of the Mammalian Translocator Membrane Protein TSPO: A Key Target for Brain Diagnostics

2018 ◽  
Vol 19 (9) ◽  
pp. 2588 ◽  
Author(s):  
Juan Zeng ◽  
Riccardo Guareschi ◽  
Mangesh Damre ◽  
Ruyin Cao ◽  
Achim Kless ◽  
...  
Keyword(s):  
Solid State ◽  
Membrane Protein ◽  
Structural Information ◽  
Mouse Protein ◽  
Nmr Study ◽  
Positron Emission ◽  
Dimeric Form ◽  
First Time ◽  
Structural Insights ◽  
Mammalian Protein

Positron emission tomography (PET) radioligands targeting the human translocator membrane protein (TSPO) are broadly used for the investigations of neuroinflammatory conditions associated with neurological disorders. Structural information on the mammalian protein homodimers—the suggested functional state of the protein—is limited to a solid-state nuclear magnetic resonance (NMR) study and to a model based on the previously-deposited solution NMR structure of the monomeric mouse protein. Computational studies performed here suggest that the NMR-solved structure in the presence of detergents is not prone to dimer formation and is furthermore unstable in its native membrane environment. We, therefore, propose a new model of the functionally-relevant dimeric form of the mouse protein, based on a prokaryotic homologue. The model, fully consistent with solid-state NMR data, is very different from the previous predictions. Hence, it provides, for the first time, structural insights into this pharmaceutically-important target which are fully consistent with experimental data.

Viscometric Studies of Molecular Interactions in Binary Mixtures of Ethylbenzene with (C4 to C8) Alkan-1-ols

2021 ◽  
pp. 116457
Author(s):  
M. Ashraf Uddin ◽  
Suman Barua ◽  
Sabera T. Nishi ◽  
Jayanti Karmaker ◽  
M. Jafar Ahmed ◽  
...  
Keyword(s):  
Binary Mixtures ◽  
Molecular Interactions

Bis(1-phenyl-1-propyne) complexes of tungsten(II): crystal structures of [WI2(CO)(NCR)(η2-MeC2Ph)2] (R = Me, Et, or Ph)

2001 ◽  
Vol 79 (3) ◽  
pp. 263-271
Author(s):  
Paul K Baker ◽  
Michael GB Drew ◽  
Deborah S Evans
Keyword(s):  
Carbon Monoxide ◽  
Solid State ◽  
Crystal Structures ◽  
Octahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Alkyne Complexes ◽  
First Time

Reaction of [WI2(CO)3(NCMe)2] with two equivalents of 1-phenyl-1-propyne (MeC2Ph) in CH2Cl2, and in the absence of light, gave the bis(1-phenyl-1-propyne) complex [WI2(CO)(NCMe)(η2-MeC2Ph)2] (1) in 77% yield. Treatment of equimolar quantities of 1 and NCR (R = Et, i-Pr, t-Bu, Ph) in CH2Cl2 afforded the nitrile-exchanged products, [WI2(CO)(NCR)(η2-MeC2Ph)2] (2-5) (R = Et (2), i-Pr (3), t-Bu (4), Ph (5)). Complexes 1, 2, and 5 were structurally characterized by X-ray crystallography. All three structures have the same pseudo-octahedral geometry, with the equatorial sites being occupied by cis and parallel alkyne groups, which are trans to the cis-iodo groups. The trans carbon monoxide and acetonitrile ligands occupy the axial sites. In structures 1 and 2, the methyl and phenyl substituents of the 1-phenyl-1-propyne ligands are cis to each other, whereas for the bulkier NCPh complex (5), the methyl and phenyl groups are trans to one another. This is the first time that this arrangement has been observed in the solid state in bis(alkyne) complexes of this type.Key words: bis(1-phenyl-1-propyne), carbonyl, nitrile, diiodo, tungsten(II), crystal structures.

Gold(I) Complexes Bearing P∩N-Ligands: An Unprecedented Twelve-membered Ring Structure Stabilized by Aurophilic Interactions

2009 ◽  
Vol 64 (11-12) ◽  
pp. 1513-1524 ◽  
Author(s):  
Uwe Monkowius ◽  
Manfred Zabel ◽  
Michel Fleck ◽  
Hartmut Yersin
Keyword(s):  
Solid State ◽  
Ring Structure ◽  
Phosphine Ligands ◽  
X Ray Crystallography ◽  
Aggregation Pattern ◽  
Elemental Analyses ◽  
High Yields ◽  
First Time ◽  
Solid State Structures ◽  
Aurophilic Interactions

The P∩N-ligands Ph2Pqn, 1, Ph2 Piqn, 2, Ph2 Ppym, 3, and the As∩N-ligands Ph2Asqn, 4, Ph2Asiqn, 5, (Ph = phenyl, qn = 8-quinoline, iqn = 1-isoquinoline, pym = 2-pyrimidine) have been synthesized, the ligands 2 and 5 for the first time. Their ligand properties were probed by the synthesis of gold(I) complexes. Reaction with (tht)AuCl (tht = tetrahydrothiophene) yielded the chlorogold complexes Ph2RP-Au-Cl (R = qn, 6; iqn, 7; pym, 8) and Ph2RAs-Au-Cl (R = qn, 9; iqn, 10) in high yields. Further treatment of 7 and 8 with one equivalent of AgBF4 provided the complexes [(Ph2Piqn)Au]BF4, 11, [(Ph2Ppym)Au]BF4, 12, and [(Ph2Piqn)Au(tht)]BF4, 14. For comparison, the previously reported complex [(Ph2Ppy)Au]BF4 (py = pyridine), 13, was re-investigated. The compounds were characterized by elemental analyses, mass spectrometry and NMR spectroscopy. In addition, the solid-state structures of 2, 3, 6, 7, 9 - 14 have been determined by X-ray crystallography. The chloro-gold compounds crystallize in the common rod-like structure known from R3EAuCl (R = aryl, E = P, As) complexes without further aggregation via aurophilic interactions. In all cases the phosphine acts as a monodentate ligand. In the solid state compounds 11 - 13 feature an unprecedented cyclic trinuclear aggregation pattern, in which the Au(I) atoms are linearly coordinated by the bridging phosphine ligands forming a cyclic (P-Au-N)3 arrangement. The resulting twelvemembered ring is further stabilized by Au · · · Au interactions. Due to the presence of these Au · · · Au contacts, 11 - 13 are emissive in the solid state but not in solution

STUDY OF HETEROMOLECULAR INTERACTION OF NONAQUEOUS BINARY SOLUTIONS

2020 ◽  
Vol 22 (2) ◽  
pp. 111-114
Author(s):  
D.T. Bozorova ◽  
Sh.P. Gofurov ◽  
A.M. Kokhkharov ◽  
O.B. Ismailova
Keyword(s):  
Binary Mixtures ◽  
Mole Fraction ◽  
Molecular Interactions ◽  
Weak Interactions ◽  
Structural Characteristics ◽  
Refractive Indices ◽  
Binary Solutions ◽  
Wide Range

In this work, the refractometry method was used to study of the molecular interactions and structural characteristics of dimethylformamide-ethanol and cyclohexane-ethanol binary mixtures. The refractive indices of mixtures were measured over a wide range of dimethylformamide and cyclohexane concentrations (0−1.0 mole fractions) at 25°С. It has been shown that heteromolecular complexes in binary solutions are formed at the concentration of ∼0.5 mole fraction of those compounds due to strong H-bonds. Relatively weak interactions are determined at a concentration of ∼0.2 and ∼0.9 mole fraction of dimethylformamide and ∼0.2 and ∼0.8 mole fraction of cyclohexane.

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