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Showing 1 to 12 of 632 entries
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Why is continuum of care from home to health facilities essential to improve perinatal survival?

community settings

Bahl R, Darmstadt GL.
GSID: 676tcDvqiosJ
R Bahl, S Qazi, GL Darmstadt, J Martines - Seminars in perinatology, 2010 - Elsevier

The period around the time of delivery is extremely hazardous for infants in developing countries. After the first week the risk drops sharply, and survival improves markedly. To …

Overcoming the Gas-Liquid Mass Transfer of Oxygen by Coupling Photosynthetic Water Oxidation with Biocatalytic Oxyfunctionalization.

Angewandte Chemie (International ed. in English)

Hoschek A, Bühler B, Schmid A.
PMID: 28945948
Angew Chem Int Ed Engl. 2017 Nov 20;56(47):15146-15149. doi: 10.1002/anie.201706886. Epub 2017 Oct 27.

Gas-liquid mass transfer of gaseous reactants is a major limitation for high space-time yields, especially for O

Managing infertility with the follitropin alfa prefilled pen injector - patient considerations.

Therapeutics and clinical risk management

Bühler K.
PMID: 26170678
Ther Clin Risk Manag. 2015 Jun 29;11:995-1001. doi: 10.2147/TCRM.S64222. eCollection 2015.

Gonadotropin treatment has been used in fertility treatment since the 1930s. First, preparations coming from animals were injected, then, gonadotropins prepared from the pituitary glands of human cadavers. A great step was achieved with the introduction of human menopausal...

Understanding a Hydroformylation Catalyst that Produces Branched Aldehydes from Alkyl Alkenes.

Journal of the American Chemical Society

Dingwall P, Fuentes JA, Crawford, Slawin AMZ, Bühl M, Clarke ML.
PMID: 29068679
J Am Chem Soc. 2017 Nov 08;139(44):15921-15932. doi: 10.1021/jacs.7b09164. Epub 2017 Oct 25.

This paper reports experimental and computational studies on the mechanism of a rhodium-catalyzed hydroformylation that is selective for branched aldehyde products from unbiased alkene substrates. This highly unusual selectivity relies on a phospholane-phosphite ligand prosaically called BOBPHOS. Kinetic studies...

A cost-effectiveness evaluation comparing originator follitropin alfa to the biosimilar for the treatment of infertility.

International journal of women's health

Gizzo S, Garcia-Velasco JA, Heiman F, Ripellino C, Bühler K.
PMID: 27994486
Int J Womens Health. 2016 Dec 07;8:683-689. doi: 10.2147/IJWH.S118687. eCollection 2016.

OBJECTIVES: To perform a cost-effectiveness evaluation comparing the originator follitropin alfa (Gonal-fMETHODS: Starting from the study by Rettenbacher et al, a cost-effectiveness model was developed in the Italian and Spanish contexts. Clinical data on subjects, doses of gonadotropin, pregnancies,...

Particularly strong C-H···π interactions between benzene and all-cis 1,2,3,4,5,6-hexafluorocyclohexane.

Physical chemistry chemical physics : PCCP

Cormanich RA, Keddie NS, Rittner R, O'Hagan D, Bühl M.
PMID: 26507700
Phys Chem Chem Phys. 2015 Nov 28;17(44):29475-8. doi: 10.1039/c5cp04537a. Epub 2015 Oct 28.

We present the first high-level ab initio benchmark study of the interaction energy between fluorocyclohexanes and benzene. These compounds form CH···π interactions with aromatic solvents which causes notable shielding of the axial cyclohexane protons. For the recently synthesised all-cis...

On the Origin of (35/37)Cl Isotope Effects on (195)Pt NMR Chemical Shifts. A Density Functional Study.

Journal of chemical theory and computation

Davis JC, Bühl M, Koch KR.
PMID: 26596749
J Chem Theory Comput. 2012 Apr 10;8(4):1344-50. doi: 10.1021/ct300105q. Epub 2012 Mar 14.

Zero-point vibrationally averaged (rg(0)) structures were computed at the PBE0/SDD/6-31G* level for [Pt(35)Cl6](2-) and [Pt(37)Cl6](2-), for the [Pt(35)Cln(37)Cl5-n(H2O)](-) (n = 0-5), cis-Pt(35)Cln(37)Cl(4-n)(H2O)2 (n = 0-4), and fac-[Pt(35)Cln(37)Cl(3-n)(H2O)3](+) (n = 0-3) isotopologues and isotopomers. Magnetic (195)Pt shielding constants, computed at...

Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory.

Journal of chemical theory and computation

Bühl M, Reimann C, Pantazis DA, Bredow T, Neese F.
PMID: 26621431
J Chem Theory Comput. 2008 Sep 09;4(9):1449-59. doi: 10.1021/ct800172j.

A set of 41 metal-ligand bond distances in 25 third-row transition-metal complexes, for which precise structural data are known in the gas phase, is used to assess optimized and zero-point averaged geometries obtained from DFT computations with various exchange-correlation...

Interaction of dermatologically relevant nanoparticles with skin cells and skin.

Beilstein journal of nanotechnology

Vogt A, Rancan F, Ahlberg S, Nazemi B, Choe CS, Darvin ME, Hadam S, Blume-Peytavi U, Loza K, Diendorf J, Epple M, Graf C, Rühl E, Meinke MC, Lademann J.
PMID: 25551064
Beilstein J Nanotechnol. 2014 Dec 08;5:2363-73. doi: 10.3762/bjnano.5.245. eCollection 2014.

The investigation of nanoparticle interactions with tissues is complex. High levels of standardization, ideally testing of different material types in the same biological model, and combinations of sensitive imaging and detection methods are required. Here, we present our studies...

Computational (59)Co NMR Spectroscopy:  Beyond Static Molecules.

Journal of chemical theory and computation

Grigoleit S, Bühl M.
PMID: 26641288
J Chem Theory Comput. 2005 Mar;1(2):181-93. doi: 10.1021/ct049920o.

GIAO-B3LYP computations of (59)Co NMR chemical shifts are reported for CoH(CO)4, Co(CO)4(-), CoCp(C2H4)2, Co(CN)6(3)(-), Co(NH3)3(CN)3, Co(NH3)6(3+), Co(NH3)4(CO3)(+), Co(acac)3, and Co(H2O)6(3+), employing both static calculations for equilibrium geometries as well as methods which include zero-point and classical thermal effects. The...

Separation of superficial and cerebral hemodynamics using a single distance time-domain NIRS measurement.

Biomedical optics express

Jelzow A, Wabnitz H, Tachtsidis I, Kirilina E, Brühl R, Macdonald R.
PMID: 24877009
Biomed Opt Express. 2014 Apr 10;5(5):1465-82. doi: 10.1364/BOE.5.001465. eCollection 2014 May 01.

In functional near-infrared spectroscopy (fNIRS) superficial hemodynamics can mask optical signals related to brain activity. We present a method to separate superficial and cerebral absorption changes based on the analysis of changes in moments of time-of-flight distributions and a...

The gold(i)-catalysed protodecarboxylation mechanism.

Chemistry (Weinheim an der Bergstrasse, Germany)

Dupuy S, Crawford L, Bühl M, Nolan SP.
PMID: 25580591
Chemistry. 2015 Feb 16;21(8):3399-408. doi: 10.1002/chem.201405716. Epub 2015 Jan 07.

A mechanistic study of the gold-catalysed protodecarboxylation is described. Each reaction step has been investigated experimentally and computationally. More specifically, the activation parameters for the decarboxylation step have been determined through kinetic studies. Further experimental studies on the hydrolysis...

Showing 1 to 12 of 632 entries