Search results for " MAGNETIC RESONANCE"
showing 10 items of 2317 documents
ChemInform Abstract: High-Resolution Solid-State NMR Spectroscopy of Steroids and Their Derivatives
2013
Abstract: Steroids are an important class of organic compounds containing a vast array of biologically and physiologically essential molecules. Due to their availability, relatively straightforward derivatizability, and endogeneity, they are widely used in pharmacological applications. The investigation of molecular and physicochemical properties of active pharmaceutical ingredients (APIs) in the solid state is important, because these properties are directly related to their pharmacological activity. Several methods are available for this purpose. Solid-state NMR spectroscopy offers a nondestructive and flexible technique, providing both structural and dynamic information. It can be applie…
High-Resolution Solid-State NMR Spectroscopy of Steroids and Their Derivatives
2013
Abstract: Steroids are an important class of organic compounds containing a vast array of biologically and physiologically essential molecules. Due to their availability, relatively straightforward derivatizability, and endogeneity, they are widely used in pharmacological applications. The investigation of molecular and physicochemical properties of active pharmaceutical ingredients (APIs) in the solid state is important, because these properties are directly related to their pharmacological activity. Several methods are available for this purpose. Solid-state NMR spectroscopy offers a nondestructive and flexible technique, providing both structural and dynamic information. It can be applie…
Analgetische Wirkstoffe, 11. Mitt. Diacylderivate des Butyroguanamins
1986
Reaktionen von elektronenreichen Heterocyclen mit Orthocarbonsäure-Derivaten, 9. Acylierungsreaktionen von Indol und Methylindolen mit Dialkoxycarben…
1986
Indol und einige Methylderivate 1 lassen sich unter milden Bedingungen mit den Dialkoxycarbenium-tetrafluoroboraten 2 in meist guten Ausbeuten regioselektive acylieren. Mit dem Formylkation-Aquivalent 2a′ werden mit uberschussigem 1 auch die Bisindolycarbenium-tetrafluoroborate 13a – d erhalten. Reactions of Electron-rich Heterocycles with Orthocarboxylic Acid Derivatives, 9. – Acylation of Indole and Methylindoles with Dialkoxycarbenium Tetrafluoroborates Indole and some methylindoles 1 were acylated regioselectively with dialkoxycarbenium tetrafluoroborates 2 under mild conditions. The formyl cation equivalent 2a′ reacts with excess of indoles 1 to give the bisindolylcarbenium tetrafluoro…
Antikonvulsiva, 1. Mitt. Thiocarbamoylbutyroguanamine
1986
Durch Anlagerung von Butyroguanamin (1) an die Isothiocyanate 2a-c sind die Thiocarbamoylbutyroguanamine 3a-c zuganglich. Auf dem Wege der Acylierung von 3 sind unsymmetrisch substituierte Butyroguanamine 4 erhaltlich. Unter den neu entwickelten Verbindungen zeichnet sich insbesondere 3c durch antikonvulsive, fungizide und die Magensauresekretion hemmende Wirkungen aus. Anticonvulsivic Agents, I: Thiocarbamoylbutyroguanamines The thiocarbamoylbutyroguanamines 3a-c are accessible by addition of butyroguanamine (1) to the isothiocyanates 2a-c. Unsymmetrically substituted butyroguanamines 4 are obtainable by acylation of 3. Among the newly prepared compounds, 3c in particular exhibits anticonv…
The identification of vicinally substituted cyclohexane isomers in their mixtures by 1H and 13C NMR spectroscopy.
2000
The radical addition reactions of organobromine compounds, XBr (X = CH2COOMe, PhCH2, CHBr2 and CCl3) with cyclohexene afforded mixtures of cis/trans isomer pairs of 1-X-2-Br-cyclohexanes. In addition to benzyl benzoyloxy derivatives are formed also, when benzoyl peroxide is used as an initiator. Owing to the great difficulties in separating these cis/trans isomer pairs, they are identified directly in their mixtures by NMR spectroscopy. In addition to one-dimensional (ID) 1H, proton decoupled 13C and DEPT-135, also two-dimensional (2D) 13C-13C INADEQUATE as well as 1H-13C HMQC experiments have been used in assigning the signals of each compound in their mixtures. The identification of each …
Virtual reality system for planning minimally invasive neurosurgery
2008
Object The authors report on their experience with a 3D virtual reality system for planning minimally invasive neurosurgical procedures. Methods Between October 2002 and April 2006, the authors used the Dextroscope (Volume Interactions, Ltd.) to plan neurosurgical procedures in 106 patients, including 100 with intracranial and 6 with spinal lesions. The planning was performed 1 to 3 days preoperatively, and in 12 cases, 3D prints of the planning procedure were taken into the operating room. A questionnaire was completed by the neurosurgeon after the planning procedure. Results After a short period of acclimatization, the system proved easy to operate and is currently used routinely for pre…
Revealing Anisotropy in a Paul Trap Through Berry Phase
2006
When an ion confined in an anisotropic bidimensional Paul trap is subjected to a laser beam oriented along an arbitrary direction, the interaction between its electronic and vibrational degrees of freedom is described by a time-dependent Hamiltonian model as a consequence of the lack of symmetry. Appropriately choosing the laser frequency, the Hamiltonian model turns out to be sinusoidally oscillating at the difference between the proper frequencies of the center of mass of the ion. Thus, if the anisotropy of the trap is sufficiently small, the evolution of the system can be considered as adiabatic. In the context of this physical situation we have calculated the Berry phase acquired in a c…
Diversity in Itraconazole Cocrystals with Aliphatic Dicarboxylic Acids of Varying Chain Length
2013
The cocrystal formation potential of itraconazole, a potent antifungal drug, with C2–C10 aliphatic dicarboxylic acids has been investigated. Using two experimental screening techniques (solvent-assisted grinding and evaporation-based crystallization), the cocrystals of itraconazole with C2–C7 dicarboxylic acids have been successfully synthesized and characterized by powder X-ray diffraction, solid state nuclear magnetic resonance, Raman spectroscopy, and thermal analysis. The characterized multicomponent compounds include anhydrous cocrystals (malonic, succinic, glutaric, and pimelic acids), a cocrystal hydrate (adipic acid), and cocrystal solvates with acetone and tetrahydrofuran (oxalic a…
Reflection anisotropy spectroscopy of decanethiol adsorbed at Au(110)/liquid interfaces
2008
Reflection Anisotropy Spectroscopy (RAS) has been used to monitor the adsorption of decanethiol as a function of coverage on the Au(110)/ethanol interface. The coverage saturates after 60 minutes for a solution of 0.5 µM. It is found that the RAS observed after 30 minutes can be represented as a linear sum of the RAS observed after 15 minutes and after saturation coverage. This implies that the molecule does not change its orientation as function of coverage. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)