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Showing 13 to 24 of 382 entries
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Step-by-step rotation of a molecule-gear mounted on an atomic-scale axis.

Nature materials

Manzano C, Soe WH, Wong HS, Ample F, Gourdon A, Chandrasekhar N, Joachim C.
PMID: 19525952
Nat Mater. 2009 Jul;8(7):576-9. doi: 10.1038/nmat2467. Epub 2009 Jun 14.

Gears are microfabricated down to diameters of a few micrometres. Natural macromolecular motors, of tens of nanometres in diameter, also show gear effects. At a smaller scale, the random rotation of a single-molecule rotor encaged in a molecular stator...

Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides.

The Journal of chemical physics

Kita Y, Maezono R, Tachikawa M, Towler MD, Needs RJ.
PMID: 21823691
J Chem Phys. 2011 Aug 07;135(5):054108. doi: 10.1063/1.3620151.

Quantum Monte Carlo methods are used to investigate the binding of a positron to the alkali-metal hydrides, XH (X = Na and K). We obtain positron affinities for the NaH and KH molecules of 1.422(10) eV and 2.051(39) eV,...

Nucleophilic epoxidation of alpha'-hydroxy dienyl sulfoxides.

The Journal of organic chemistry

Fernández de la Pradilla R, Manzano P, Montero C, Priego J, Martínez-Ripoll M, Martínez-Cruz LA.
PMID: 14510552
J Org Chem. 2003 Oct 03;68(20):7755-67. doi: 10.1021/jo0349173.

A novel route to enantiopure densely functionalized epoxy sulfinyl tetrahydrofurans, based on the unexpected and highly stereoselective remote nucleophilic epoxidation of hydroxy 1-sulfinyl butadienes with t-BuOOK, followed by ring closure and subsequent epoxidation of the resulting sulfinyl dihydrofurans, is...

Acceleration of a QM/MM-QMC simulation using GPU.

Journal of computational chemistry

Uejima Y, Terashima T, Maezono R.
PMID: 21541960
J Comput Chem. 2011 Jul 30;32(10):2264-72. doi: 10.1002/jcc.21809. Epub 2011 May 03.

We accelerated an ab initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with...

Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes.

Dalton transactions (Cambridge, England : 2003)

Espino G, Xiao L, Puchberger M, Mereiter K, Spindler F, Manzano BR, Jalón FA, Weissensteiner W.
PMID: 19333499
Dalton Trans. 2009 Apr 21;(15):2751-63. doi: 10.1039/b816544k. Epub 2009 Feb 20.

A protocol for the synthesis of C2- and C1-symmetric 2,2''-diarylphosphino-substituted biferrocenes (bifep-type ligands) is presented and the preparation of four representatives is described [(Sp,Sp)-2-R1(2)P-2''- R2(2)P-1,1''-biferrocene; (bifep): R1=R2=Ph; : R1=Ph, R2=Cy; : R1=R2=3,5-Me2C6H3; : R1=3,5-Me(2-)4-OMe-C6H2, R2=3,5-(CF3)2C6H3]. In addition, the synthesis...

The role of topical simvastatin on bone regeneration: A systematic review.

Journal of clinical and experimental dentistry

Montero J, Manzano G, Albaladejo A.
PMID: 25136432
J Clin Exp Dent. 2014 Jul 01;6(3):e286-90. doi: 10.4317/jced.51415. eCollection 2014 Jul.

OBJECTIVES: The aim of this systematic review was to summarize the results concerning the use of simvastatin for promoting bone regeneration and to discuss the level of scientific evidence supporting such findings.MATERIAL AND METHODS: A Pubmed search using "Simvastatin"[Mesh]...

Efficacy of Timolol 0.1% Gel and a Prostaglandin Analog in an Unfixed Combination Compared to the Corresponding Fixed Combinations.

European journal of ophthalmology

Nucci C, Varesi C, Martucci A, Cesareo M, Cedrone C, Mancino R, Cerulli L.
PMID: 23640513
Eur J Ophthalmol. 2013 Sep-Oct;23(5):683-689. doi: 10.5301/ejo.5000292.

No abstract available.

Hemilabile and bimetallic coordination in Rh and Ir complexes of NCN pincer ligands.

Inorganic chemistry

Mancano G, Page MJ, Bhadbhade M, Messerle BA.
PMID: 25252249
Inorg Chem. 2014 Oct 06;53(19):10159-70. doi: 10.1021/ic501158x. Epub 2014 Sep 24.

Two new pincer ligands have been developed that contain a central N-heterocyclic carbene (NHC) moiety linked to two pendant pyrazole groups by either a methylene (NCN(me)) or ethylene (NCN(et)) chain. The coordination of these two ligands to rhodium and...

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.

Enantioselective Silver-Catalyzed Cascade Synthesis of Fused Lactone and Lactam Oxazolines.

Organic letters

de la Campa R, Manzano R, Calleja P, Ellis SR, Dixon DJ.
PMID: 30221522
Org Lett. 2018 Oct 05;20(19):6033-6036. doi: 10.1021/acs.orglett.8b02383. Epub 2018 Sep 17.

A new and highly stereoselective cascade reaction between isocyanoacetate esters and α-hydroxy and α-amino ketones has been developed. A cinchona alkaloid derived aminophosphine/silver(I) catalyst complex promoted the reaction and enabled the ready synthesis of fused bicyclic γ-lactone and γ-lactam...

Herbivore corridors sustain genetic footprint in plant populations: a case for Spanish drove roads.

PeerJ

García-Fernández A, Manzano P, Seoane J, Azcárate FM, Iriondo JM, Peco B.
PMID: 31341747
PeerJ. 2019 Jul 15;7:e7311. doi: 10.7717/peerj.7311. eCollection 2019.

Habitat fragmentation is one of the greatest threats to biodiversity conservation and ecosystem productivity mediated by direct human impact. Its consequences include genetic depauperation, comprising phenomena such as inbreeding depression or reduction in genetic diversity. While the capacity of...

Retrospective study of osteoradionecrosis in the jaws of patients with head and neck cancer.

Journal of the Korean Association of Oral and Maxillofacial Surgeons

Manzano BR, Santaella NG, Oliveira MA, Rubira CMF, Santos PSDS.
PMID: 30847293
J Korean Assoc Oral Maxillofac Surg. 2019 Feb;45(1):21-28. doi: 10.5125/jkaoms.2019.45.1.21. Epub 2019 Feb 26.

OBJECTIVES: Osteoradionecrosis (ORN) is one of the most severe complications resulting from radiotherapy (RT) in patients with head and neck cancer (HNC). It is characterized by persistent exposed and devitalized bone without proper healing for greater than 6 months...

Showing 13 to 24 of 382 entries