Search results for "BD"

Treatment of scalar-relativistic effects on nuclear magnetic shieldings using a spin-free exact-two-component approach.

2013

A cost-effective treatment of scalar-relativistic effects on nuclear magnetic shieldings based on the spin-free exact-two-component theory in its one-electron variant (SFX2C-1e) is presented. The SFX2C-1e scheme gains its computational efficiency, in comparison to the four-component approach, from a focus on spin-free contributions and from the elimination of the small component. For the calculation of nuclear magnetic shieldings, the separation of spin-free and spin-dependent terms in the parent four-component theory is carried out here for the matrix representation of the Dirac equation in terms of a restricted-magnetically balanced gauge-including atomic orbital basis. The resulting spin…

Studies of rotational level Λ-doubling by rf-optical double resonance spectroscopy: application to NaK D1Π

1997

Abstract We report here the application of optical-radio frequency double resonance spectroscopy for individual rotational levels of the NaK D 1 Π state. Lambda doubling constant q values for five ν′, J ′ levels are obtained. These data are combined with measurements of dc e - f Stark-mixing-induced changes in optical spectra, and the electric dipole moment d p in the D 1 Π state is determined.

Modes of complexation of non-substituted and substituted tetraazamacrocycles with Group 6 metal carbonyls. X-ray structure of [(permethylcyclam)Mo(CO…

1995

Abstract Reactions of complexation of tetraazamacrocycles L with Group 6 metal carbonyls [M(CO)6](M = Cr, Mo, or W) lead to [LM(CO)4], [LM(CO)3] or [LM(CO)2] entities, depending both on the size of the macrocycle and on the metal M. The structure of one representative complex [(permethylcyclam)Mo(CO)4] has been determined by X-ray diffraction (permethylcyclam: 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane).

Initial Radical Cation Pathway in the Mo2Cl10-Mediated Dehydrogenative Arene Coupling

2015

Experimental (EPR) and theoretical (DFT) evidence is provided for radical cation formation as initial step in the Mo2Cl10-mediated dehydrogenative arene coupling. The initial electron transfer from methoxyarenes to molybdenum proceeds via an inner sphere mechanism.

Aminobis(phenolate)s of imidomolybdenum(VI) and -tungsten(VI)

2009

Abstract The reactions of trans-[MoO(ONOMe)Cl2] 1 (ONOMe = methylamino-N,N-bis(2-methylene-4,6-dimethylphenolate) dianion) and trans-[MoO(ONOtBu)Cl2] 2 (ONOtBu = methylamino-N,N-bis(2-methylene-4-methyl-6-tert-butylphenolate) dianion) with PhNCO afforded new imido molybdenum complexes trans-[Mo(NPh)(ONOMe)Cl2] 3 and trans-[Mo(NPh)(ONOtBu)Cl2] 4, respectively. As analogous oxotungsten starting materials did not show similar reactivity, corresponding imido tungsten complexes were prepared by the reaction between [W(NPh)Cl4] with aminobis(phenol)s. These reactions yielded cis- and trans-isomers of dichloro complexes [W(NPh)(ONOMe)Cl2] 5 and [W(NPh)(ONOtBu)Cl2] 6, respectively. The molecular st…

Paediatric urological malignancies

2001

Type B Aortic Dissection Diagnosed by Left-Sided Transthoracic Ultrasonography in a Woman With Preeclampsia

2017

Lysine-specific demethylase 1 (LSD1/KDM1A/AOF2/BHC110) is expressed and is an epigenetic drug target in chondrosarcoma, Ewing's sarcoma, osteosarcoma…

2011

Summary Lysine-specific demethylase 1 (GeneID 23028), a flavin-dependent monoamine oxidoreductase and a histone demethylase, serves as an epigenetic coregulator of transcription. Lysine-specific demethylase 1 is up-regulated in neuroblastoma and in bladder, breast, colorectal, gastric, lung, and neuroendocrine cancers, and its overexpression drives the cell cycle of otherwise nontransformed human cells, suggesting oncogenic properties. Lysine-specific demethylase 1 was recently reported to be also overexpressed in several different mesenchymal tumors. We investigated lysine-specific demethylase 1 expression in over 500 sarcomas by gene expression profiling and tissue microarray-coupled immu…

Labdane Diterpenes from Stachys plumosa

2000

Three new labdane diterpenoids were isolated from the aerial parts of Stachys plumosa. The first two (1, 2) were the dextrorotatory enantiomers of the known 6-deoxyandalusol and 13-epijabugodiol. Structures were determined using NMR and MS techniques. The absolute stereochemistry of the third compound (3) was not experimentally proved.

Abatement of Acid Orange 7 in macro and micro reactors. Effect of the electrocatalytic route

2014

Abstract The electrochemical treatment of aqueous solutions contaminated by Acid Orange 7 (AO7) was widely studied with the main objective to evaluate as the electrocatalytic route affects the performances of the degradation process in macro and microfluidic cells. Direct anodic oxidation (EO), electro-Fenton (EF), electro-generation of active chlorine (IOAC) and coupled processes were investigated in macro and microfluidic reactors in order to select more effective conditions for the treatment of such compound. The effect of numerous operative parameters (such as nature of the electrode materials, coupling of processes, flow rate, current density and inter-electrode distance) on the perfor…