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Showing 1 to 12 of 161 entries
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Scaling Laws and Critical Properties for fcc and hcp Metals.

The journal of physical chemistry. B

Desgranges C, Widhalm L, Delhommelle J.
PMID: 27228416
J Phys Chem B. 2016 Jun 16;120(23):5255-61. doi: 10.1021/acs.jpcb.6b04121. Epub 2016 Jun 07.

The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in metals. Moreover, experiments have shown that these...

Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol.

Journal of chemical theory and computation

Chen M, Pendrill R, Widmalm G, Brady JW, Wohlert J.
PMID: 26588143
J Chem Theory Comput. 2014 Oct 14;10(10):4465-79. doi: 10.1021/ct500271z. Epub 2014 Sep 04.

Room temperature ionic liquids (ILs) of the imidazolium family have attracted much attention during the past decade for their capability to dissolve biomass. Besides experimental work, numerous compuational studies have been concerned with the physical properties of both neat...

Structural Elucidation of the O-Antigen Polysaccharide from Escherichia coli O181.

ChemistryOpen

Fontana C, Weintraub A, Widmalm G.
PMID: 25861570
ChemistryOpen. 2015 Feb;4(1):47-55. doi: 10.1002/open.201402068. Epub 2014 Dec 01.

Shiga-toxin-producing Escherichia coli (STEC) is an important pathogen associated to food-borne infection in humans; strains of E. coli O181, isolated from human cases of diarrhea, have been classified as belonging to this pathotype. Herein, the structure of the O-antigen...

Synthesis of β-(1→2)-Linked 6-Deoxy-l-altropyranose Oligosaccharides via Gold(I)-Catalyzed Glycosylation of an ortho-Hexynylbenzoate Donor.

The Journal of organic chemistry

Shen Z, Mobarak H, Li W, Widmalm G, Yu B.
PMID: 28230982
J Org Chem. 2017 Mar 17;82(6):3062-3071. doi: 10.1021/acs.joc.7b00057. Epub 2017 Mar 02.

The β-(1→2)-linked 6-deoxy-l-altropyranose di- to pentasaccharides 2-5, relevant to the O-antigen of the infectious Yersinia enterocolitica O:3, were synthesized for the first time. The challenging 1,2-cis-altropyranosyl linkage was assembled effectively via glycosylation with 2-O-benzyl-3,4-di-O-benzoyl-6-deoxy-l-altropyranosyl ortho-hexynylbenzoate (7) under the catalysis...

Carbohydrates Exhibit a Distinct Preferential Solvation Pattern in Binary Aqueous Solvent Mixtures.

Angewandte Chemie (International ed. in English)

Vishnyakov A, Widmalm G, Laaksonen A.
PMID: 10649354
Angew Chem Int Ed Engl. 2000 Jan;39(1):140-142. doi: 10.1002/(sici)1521-3773(20000103)39:1<140::aid-anie140>3.0.co;2-2.

Molecular dynamics simulations reveal the entire solvation shell around a model disaccharide dissolved in the binary 1:3 molar mixture of dimethyl sulfoxide and water becomes distinctly structured (see drawing). Such preferential solvation is due to the large number of...

Quantification of depth of anesthesia by nonlinear time series analysis of brain electrical activity.

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Widman G, Schreiber T, Rehberg B, Hoeft A, Elger CE.
PMID: 11089035
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 2000 Oct;62(4):4898-903. doi: 10.1103/physreve.62.4898.

We investigate several quantifiers of the electroencephalogram (EEG) signal with respect to their ability to indicate depth of anesthesia. For 17 patients anesthetized with sevoflurane, three established measures (two spectral and one based on the bispectrum), as well as...

Novel chiral biferrocene ligands for palladium-catalyzed allylic substitution reactions.

The Journal of organic chemistry

Xiao L, Weissensteiner W, Mereiter K, Widhalm M.
PMID: 11925230
J Org Chem. 2002 Apr 05;67(7):2206-14. doi: 10.1021/jo016249w.

Eleven novel aminophosphine ligands have been synthesized, all of which contain a chiral 2,2' '-bridged biferroceno unit as part of a biferrocenoazepine substructure. The efficiency of these compounds as chiral auxiliaries in palladium-mediated allylic substitution reactions has been investigated....

Diurnal variations of REE and diet-induced thermogenesis (DIT) in adolescents.

Clinical nutrition (Edinburgh, Scotland)

Zwiauer KF, Mueller T, Widhalm K.
PMID: 16839915
Clin Nutr. 1991 Jun;10(3):176. doi: 10.1016/0261-5614(91)90055-h.

No abstract available.

Vibrational properties of the LiNbO3 z-surfaces.

IEEE transactions on ultrasonics, ferroelectrics, and frequency control

Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG.
PMID: 21937306
IEEE Trans Ultrason Ferroelectr Freq Control. 2011 Sep;58(9):1751-6. doi: 10.1109/TUFFC.2011.2012.

The existence of localized vibrational modes both at the positive and at the negative LiNbO3 (0001) surface is demonstrated by means of first-principles calculations and Raman spectroscopy measurements. First, the phonon modes of the crystal bulk and of the...

Clinical neuropathology practice guide 1-2013: molecular subtyping of glioblastoma: ready for clinical use?.

Clinical neuropathology

Woehrer A, Marosi C, Widhalm G, Oberndorfer S, Pichler J, Hainfellner JA.
PMID: 23324355
Clin Neuropathol. 2013 Jan-Feb;32(1):5-8. doi: 10.5414/np300605.

Recently, integrated genomewide analyses have revealed several glioblastoma (GB) subtypes, which differ in terms of key pathogenetic pathways and point to different cells of origin. Even though the proneural and mesenchymal GB signatures evolved as most robust, there is...

Abstracts of the 33rd International Austrian Winter Symposium : Zell am See, Austria. 24-27 January 2018.

EJNMMI research

Binzel K, Adelaja A, Wright CL, Scharre D, Zhang J, Knopp MV, Teoh EJ, Bottomley D, Scarsbrook A, Payne H, Afaq A, Bomanji J, van As N, Chua S, Hoskin P, Chambers A, Cook GJ, Warbey VS, Chau A, Ward P, Miller MP, Stevens DJ, Wilson L, Gleeson FV, Scheidhauer K, Seidl C, Autenrieth M, Bruchertseifer F, Apostolidis C, Kurtz F, Horn T, Pfob C, Schwaiger M, Gschwend J, D'Alessandria C, Morgenstern A, Uprimny C, Kroiss A, Decristoforo C, von Guggenberg E, Nilica B, Horninger W, Virgolini I, Rasul S, Poetsch N, Woehrer A, Preusser M, Mitterhauser M, Wadsak W, Widhalm G, Mischkulnig M, Hacker M, Traub-Weidinger T, Wright CL, Binzel K, Wuthrick EJ, Miller ED, Maniawski P, Zhang J, Knopp MV, Rep S, Hocevar M, Vaupotic J, Zdesar U, Zaletel K, Lezaic L, Mairinger S, Filip T, Sauberer M, Flunkert S, Wanek T, Stanek J, Okamura N, Langer O, Kuntner C, Fornito MC, Balzano R, Di Martino V, Cacciaguerra S, Russo G, Seifert D, Kleinova M, Cepa A, Ralis J, Hanc P, Lebeda O, Mosa M, Vandenberghe S, Mikhaylova E, Borys D, Viswanath V, Stockhoff M, Efthimiou N, Caribe P, Van Holen R, Karp JS, Binzel K, Zhang J, Wright CL, Maniawski P, Knopp MV, Haller PM, Farhan C, Piackova E, Jäger B, Knoll P, Kiss A, Podesser BK, Wojta J, Huber K, Mirzaei S, Traxl A, Komposch K, Glitzner E, Wanek T, Mairinger S, Sibilia M, Langer O, Fornito MC, Russello M, Russo G, Balzano R, Sorko S, Gallowitsch HJ, Kohlfuerst S, Matschnig S, Rieser M, Sorschag M, Lind P, Ležaič L, Rep S, Žibert J, Frelih N, Šuštar S, Binzel K, Adelaja A, Wright CL, Scharre D, Zhang J, Knopp MV, Baum RP, Langbein T, Singh A, Shahinfar M, Schuchardt C, Volk GF, Kulkarni HR, Fornito MC, Cacciaguerra S, Balzano R, Di Martino GV, Russo G, Thomson WH, Kudlacek M, Karik M, Farhan C, Rieger H, Pokieser W, Glaser K, Mirzaei S, Petz V, Tugendsam C, Buchinger W, Schmoll-Hauer B, Schenk IP, Rudolph K, Krebs M, Zettinig G, Zoufal V, Wanek T, Krohn M, Mairinger S, Stanek J, Sauberer M, Filip T, Pahnke J, Langer O, Weitzer F, Pernthaler B, Salamon S, Aigner R, Koranda P, Henzlová L, Kamínek M, Váchalová M, Bachleda P, Summer D, Garousi J, Oroujeni M, Mitran B, Andersson KG, Vorobyeva A, Löfblom JN, Orlova A, Tolmachev V, Decristoforo C, Kaeopookum P, Summer D, Orasch T, Lechner B, Petrik M, Novy Z, Rangger C, Haas H, Decristoforo C.
PMID: 29362999
EJNMMI Res. 2018 Jan 23;8:5. doi: 10.1186/s13550-017-0354-4.

No abstract available.

Syntheses of Highly Functionalized Spirocyclohexenes by Formal [4+2] Annulation of Arylidene Azlactones with Allenoates.

Asian journal of organic chemistry

Eitzinger A, Zielke K, Widhalm M, Robiette R, Waser M.
PMID: 30175031
Asian J Org Chem. 2018 Aug;7(8):1620-1625. doi: 10.1002/ajoc.201800275. Epub 2018 May 04.

A straightforward phosphine-catalyzed formal [4+2] annulation between α-branched allenoates and arylidene azlactones has been developed to access highly functionalized spirocyclohexenes. This cyclization favors the γ-addition of the phosphine-activated allenoates over a β'-addition pathway. Detailed computational studies support the proposed...

Showing 1 to 12 of 161 entries