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Showing 1 to 12 of 352 entries
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Comparison of enzymatic properties and small molecule inhibition of γ-glutamyltranspeptidases from pathogenic and commensal bacteria.

Biological chemistry

Bolz C, Bach NC, Meyer H, Müller G, Dawidowski M, Popowicz G, Sieber SA, Skerra A, Gerhard M.
PMID: 27636829
Biol Chem. 2017 Mar;398(3):341-357. doi: 10.1515/hsz-2016-0198.

Helicobacter pylori infects the stomach of 50% of the population worldwide, thus causing chronic gastritis. Although this infection can be cured by antibiotic treatment, therapeutic options are increasingly limited due to the development of resistances. The γ-glutamyl-transpeptidase (gGT) of...

Usability Evaluation of a Mobile Monitoring System to Assess Symptoms After a Traumatic Injury: A Mixed-Methods Study.

JMIR mental health

Price M, Sawyer T, Harris M, Skalka C.
PMID: 26753673
JMIR Ment Health. 2016 Jan 11;3(1):e3. doi: 10.2196/mental.5023.

BACKGROUND: Victims of trauma are at high risk for mental health conditions such as posttraumatic stress disorder and depression. Regular assessment of mental health symptoms in the post-trauma period is necessary to identify those at greatest risk and provide...

Fixation and release of intact E₄ tetrahedra (E=P, As).

Angewandte Chemie (International ed. in English)

Spitzer F, Sierka M, Latronico M, Mastrorilli P, Virovets AV, Scheer M.
PMID: 25677593
Angew Chem Int Ed Engl. 2015 Mar 27;54(14):4392-6. doi: 10.1002/anie.201411451. Epub 2015 Feb 10.

By the reaction of [NacnacCuCH3CN] with white phosphorus (P4) and yellow arsenic (As4), the stabilization and enclosure of the intact E4 tetrahedra are realized and the disubstituted complexes [(NacnacCu)2(μ,η(2:2)-E4)] (1 a: E=P, 1 b: E=As) are formed. The mono-substituted...

Star-Shaped Conjugated Molecules with Oxa- or Thiadiazole Bithiophene Side Arms.

Chemistry (Weinheim an der Bergstrasse, Germany)

Kotwica K, Kostyuchenko AS, Data P, Marszalek T, Skorka L, Jaroch T, Kacka S, Zagorska M, Nowakowski R, Monkman AP, Fisyuk AS, Pisula W, Pron A.
PMID: 27404332
Chemistry. 2016 Aug 08;22(33):11795-806. doi: 10.1002/chem.201600984. Epub 2016 Jul 12.

Star-shaped conjugated molecules, consisting of a benzene central unit symmetrically trisubstituted with either oxa- or thiadiazole bithiophene groups, were synthesized as promising molecules and building blocks for application in (opto)electronics and electrochromic devices. Their optical (Eg (opt)) as well...

Density Functional Theory for Molecular and Periodic Systems Using Density Fitting and Continuous Fast Multipole Methods.

Journal of chemical theory and computation

Łazarski R, Burow AM, Sierka M.
PMID: 26575740
J Chem Theory Comput. 2015 Jul 14;11(7):3029-41. doi: 10.1021/acs.jctc.5b00252.

An implementation of Kohn-Sham density functional theory within the TURBOMOLE program package with Gaussian-type orbitals (GTO) as basis functions is reported that treats molecular and periodic systems of any dimensionality on an equal footing. Its key component is a...

Correction: Long-Term Safety of Repeated Blood-Brain Barrier Opening via Focused Ultrasound with Microbubbles in Non-Human Primates Performing a Cognitive Task.

PloS one

Downs ME, Buch A, Sierra C, Karakatsani ME, Teichert T, Chen S, Konofagou EE, Ferrera VP.
PMID: 26087322
PLoS One. 2015 Jun 18;10(6):e0130860. doi: 10.1371/journal.pone.0130860. eCollection 2015.

No abstract available.

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...

Corrigendum: Fecal Gluten Peptides Reveal Limitations of Serological Tests and Food Questionnaires for Monitoring Gluten-Free Diet in Celiac Disease Patients.

The American journal of gastroenterology

Comino I, Fernández-Bañares F, Esteve M, Ortigosa L, Castillejo G, Fambuena B, Ribes-Koninckx C, Sierra C, Rodríguez-Herrera A, Salazar JC, Caunedo Á, Marugán-Miguelsanz JM, Garrote JA, Vivas S, Lo Iacono O, Nuñez A, Vaquero L, Vegas AM, Crespo L, Fernández-Salazar L, Arranz E, Jiménez-García VA, Montes-Cano MA, Espín B, Galera A, Valverde J, José Girón F, Bolonio M, Millán A, Cerezo FM, Guajardo C, Alberto JR, Rosinach M, Segura V, León F, Marinich J, Muñoz-Suano A, Romero-Gómez M, Cebolla Á, Sousa C.
PMID: 28397876
Am J Gastroenterol. 2017 Jul;112(7):1208. doi: 10.1038/ajg.2017.110. Epub 2017 Apr 11.

This corrects the article DOI: 10.1038/ajg.2016.439.

Case Study: Remission of Type 2 Diabetes After Outpatient Basal Insulin Therapy.

Diabetes spectrum : a publication of the American Diabetes Association

Schmidt SC, Ann Huey M, Whitley HP.
PMID: 26912966
Diabetes Spectr. 2016 Feb;29(1):50-3. doi: 10.2337/diaspect.29.1.50.

No abstract available.

Self-structuring of stable dissipative breathing vortex solitons in a colloidal nanosuspension.

Optics express

Skarka V, Aleksić NB, Krolikowski W, Christodoulides DN, Rakotoarimalala S, Aleksić BN, Belić M.
PMID: 28468384
Opt Express. 2017 May 01;25(9):10090-10102. doi: 10.1364/OE.25.010090.

The self-structuring of laser light in an artificial optical medium composed of a colloidal suspension of nanoparticles is demonstrated using variational and numerical methods extended to dissipative systems. In such engineered materials, competing nonlinear susceptibilities are enhanced by the...

Synthesis and structure of ultrathin aluminosilicate films.

Angewandte Chemie (International ed. in English)

Stacchiola D, Kaya S, Weissenrieder J, Kuhlenbeck H, Shaikhutdinov S, Freund HJ, Sierka M, Todorova TK, Sauer J.
PMID: 17051629
Angew Chem Int Ed Engl. 2006 Nov 20;45(45):7636-9. doi: 10.1002/anie.200602670.

No abstract available.

Theoretical studies of Cu(I) sites in faujasite and their interaction with carbon monoxide.

Physical chemistry chemical physics : PCCP

Rejmak P, Sierka M, Sauer J.
PMID: 17925971
Phys Chem Chem Phys. 2007 Oct 28;9(40):5446-56. doi: 10.1039/b710051e. Epub 2007 Aug 23.

Sitting, coordination, and properties of Cu(I) cations in zeolite faujasite are investigated using a combined quantum mechanics-interatomic potential function method. The coordination of Cu(I) ions depends on their location within the zeolite lattice. Cu(I) located inside the hexagonal prisms...

Showing 1 to 12 of 352 entries