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Showing 1 to 12 of 233 entries
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Weak Hydrogen Bond Network: A Rotational Study of 1,1,1,2-Tetrafluoroethane Dimer.

The journal of physical chemistry. A

Li X, Zheng Y, Chen J, Grabow JU, Gou Q, Xia Z, Feng G.
PMID: 28926244
J Phys Chem A. 2017 Oct 19;121(41):7876-7881. doi: 10.1021/acs.jpca.7b07007. Epub 2017 Oct 04.

1,1,1,2-Tetrafluoroethane dimer was investigated by pulsed jet Fourier transform microwave spectroscopy. One conformer, stabilized through a network of four C-H···F-C interactions, was observed, although several almost isoenergetic configurations were suggested by ab initio calculations. The measurements, extended to four

Halogen bond and free internal rotation: the microwave spectrum of CF3Cl-dimethyl ether.

The journal of physical chemistry. A

Evangelisti L, Feng G, Gou Q, Grabow JU, Caminati W.
PMID: 24400718
J Phys Chem A. 2014 Jan 23;118(3):579-82. doi: 10.1021/jp411372m. Epub 2014 Jan 13.

The rotational spectra of two isotopologues of the molecular complex CF3Cl-dimethyl ether have been measured with pulsed jet Fourier transform microwave spectroscopy. The rotational spectrum encodes information on the global minimum configuration, stabilized by a Cl···O halogen bond, and...

Changes in glycoprotein expression between primary breast tumour and synchronous lymph node metastases or asynchronous distant metastases.

Clinical proteomics

Kurbasic E, Sjöström M, Krogh M, Folkesson E, Grabau D, Hansson K, Rydén L, Waldemarson S, James P, Niméus E.
PMID: 25991917
Clin Proteomics. 2015 May 12;12(1):13. doi: 10.1186/s12014-015-9084-7. eCollection 2015.

BACKGROUND: Breast cancer is a very heterogeneous disease and some patients are cured by the surgical removal of the primary tumour whilst other patients suffer from metastasis and spreading of the disease, despite adjuvant therapy. A number of prognostic...

Structure evolution of nanoparticulate Fe2O3.

Nanoscale

Erlebach A, Kurland HD, Grabow J, Müller FA, Sierka M.
PMID: 25587689
Nanoscale. 2015 Feb 21;7(7):2960-9. doi: 10.1039/c4nr06989g.

The atomic structure and properties of nanoparticulate Fe2O3 are characterized starting from its smallest Fe2O3 building unit through (Fe2O3)n clusters to nanometer-sized Fe2O3 particles. This is achieved by combining global structure optimizations at the density functional theory level, molecular...

The role of amino acid side chains in stabilizing dipeptides: the laser ablation Fourier transform microwave spectrum of Ac-Val-NH.

Physical chemistry chemical physics : PCCP

León I, Alonso ER, Mata S, Cabezas C, Rodríguez MA, Grabow JU, Alonso JL.
PMID: 28875198
Phys Chem Chem Phys. 2017 Sep 20;19(36):24985-24990. doi: 10.1039/c7cp03924g.

The steric effects imposed by the isopropyl group of valine in the conformational stabilization of the capped dipeptide N-acetyl-l-valinamide (Ac-Val-NH

The rotational spectra, potential function, Born-Oppenheimer breakdown, and magnetic shielding of SnSe and SnTe.

The Journal of chemical physics

Bizzocchi L, Giuliano BM, Hess M, Grabow JU.
PMID: 17381204
J Chem Phys. 2007 Mar 21;126(11):114305. doi: 10.1063/1.2710266.

The pure rotational spectra of 27 isotopic species of SnSe and SnTe have been measured in the frequency range of 5-24 GHz using a Fabry-Perot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by laser...

Interstellar chemistry: a strategy for detecting polycyclic aromatic hydrocarbons in space.

Journal of the American Chemical Society

Lovas FJ, McMahon RJ, Grabow JU, Schnell M, Mack J, Scott LT, Kuczkowski RL.
PMID: 15783216
J Am Chem Soc. 2005 Mar 30;127(12):4345-9. doi: 10.1021/ja0426239.

Polycyclic aromatic hydrocarbons (PAHs) have long been postulated as constituents of the interstellar gas and circumstellar disks. Observational infrared emission spectra have been plausibly interpreted in support of this hypothesis, but the small (or zero) dipole moments of planar,...

Multidimensional large-amplitude motion: revealing concurrent tunneling pathways in molecules with several internal rotors.

Angewandte Chemie (International ed. in English)

Schnell M, Grabow JU.
PMID: 16688695
Angew Chem Int Ed Engl. 2006 May 19;45(21):3465-70. doi: 10.1002/anie.200600201.

No abstract available.

Intertorsional interactions revealing absolute configurations: the V6 internal rotation heavy-top case of benzotrifluoride.

Chemphyschem : a European journal of chemical physics and physical chemistry

Ilyushin VV, Favero LB, Caminati W, Grabow JU.
PMID: 20680935
Chemphyschem. 2010 Aug 23;11(12):2589-93. doi: 10.1002/cphc.201000223.

The microwave spectroscopic signatures of multiple torsional states of the CF(3) internal rotation in benzotrifluoride (alpha,alpha,alpha-trifluorotoluene) are reported. Individual rotational transitions are observed in a total of eight different torsional states, a quite challenging task for heavy tops even...

Experiences from treatment-predictive KRAS testing; high mutation frequency in rectal cancers from females and concurrent mutations in the same tumor.

BMC clinical pathology

Jönsson M, Ekstrand A, Edekling T, Eberhard J, Grabau D, Borg D, Nilbert M.
PMID: 19832985
BMC Clin Pathol. 2009 Oct 15;9:8. doi: 10.1186/1472-6890-9-8.

BACKGROUND: KRAS mutations represent key alterations in colorectal cancer development and lead to constitutive EGFR signaling. Since EGFR inhibition represents a therapeutic strategy in advanced colorectal cancer, KRAS mutation analysis has quickly been introduced as a treatment-predictive test.METHODS: We...

Nanocatalysis beyond the gold-rush era.

Angewandte Chemie (International ed. in English)

Grabow LC, Mavrikakis M.
PMID: 18688901
Angew Chem Int Ed Engl. 2008;47(39):7390-2. doi: 10.1002/anie.200802592.

No abstract available.

Mammalian diseases of phosphatidylinositol transfer proteins and their homologs.

Clinical lipidology

Nile AH, Bankaitis VA, Grabon A.
PMID: 21603057
Clin Lipidol. 2010 Dec 01;5(6):867-897. doi: 10.2217/clp.10.67.

Inositol and phosphoinositide signaling pathways represent major regulatory systems in eukaryotes. The physiological importance of these pathways is amply demonstrated by the variety of diseases that involve derangements in individual steps in inositide and phosphoinositide production and degradation. These...

Showing 1 to 12 of 233 entries