Royal Society of Chemistry

Mechanical properties of zirconium alloys and zirconium hydrides predicted from density functional perturbation theory

Dalton Transactions - 2 November, 2015 - 17:54

Dalton Trans., 2015, 44,18769-18779
DOI: 10.1039/C5DT03403E, PaperPhilippe F. Weck, Eunja Kim, Veena Tikare, John A. Mitchell
The elastic properties and mechanical stability of zirconium alloys and zirconium hydrides have been investigated within the framework of density functional perturbation theory. Results show that the lowest-energy Pn[3 with combining macron]m [small delta]-ZrH1.5 phase is not mechanically stable.
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Oxidative photoreactivity of mono-transition-metal functionalized lacunary Keggin anions

Dalton Transactions - 2 November, 2015 - 17:54

Dalton Trans., 2015, 44,18919-18922
DOI: 10.1039/C5DT03134F, PaperM. Dave, C. Streb
The photooxidative activity of mono-transition-metal functionalized lacunary silicotungstate Keggin anions is reported together with preliminary mechanistic insight into the photoreactivity.
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Enantioselective Oxidative Boron Heck Reactions

Org. and Biomol. Chem. - 2 November, 2015 - 03:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01984B, Review ArticleOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ai-Lan Lee
This review highlights the use of the oxidative boron Heck reaction in enantioselective Heck-type couplings. The enantioselective oxidative boron Heck reaction overcomes several limitations of the traditional Pd(0)-catalysed Heck coupling...
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A method for investigating the stereochemical course of terpene cyclisations

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, Advance Article
DOI: 10.1039/C5OB01998B, PaperPatrick Rabe, Jan Rinkel, Tim A. Klapschinski, Lena Barra, Jeroen S. Dickschat
The products of three bacterial terpene cyclases were characterised and the mechanisms of their formations were investigated using isotopic labellings.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Correction: Stereoselective synthesis of the head group of archaeal phospholipid PGP-Me to investigate bacteriorhodopsin-lipid interactions

Org. and Biomol. Chem. - 2 November, 2015 - 03:54
Org. Biomol. Chem., 2015, 13,10578-10578
DOI: 10.1039/C5OB90166A, CorrectionOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jin Cui, Satoshi Kawatake, Yuichi Umegawa, Sebastien Lethu, Masaki Yamagami, Shigeru Matsuoka, Fuminori Sato, Nobuaki Matsumori, Michio Murata
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A rapid and efficient one-pot method for the reduction of N-protected [small alpha]-amino acids to chiral [small alpha]-amino aldehydes using CDI/DIBAL-H

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10456-10460
DOI: 10.1039/C5OB01838B, CommunicationOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jakov Ivkovic, Christian Lembacher-Fadum, Rolf Breinbauer
N-Protected [small alpha]-amino acids can be easily converted directly into chiral [small alpha]-amino aldehydes in a one-pot procedure by activation with CDI followed by reduction with DIBAL-H.
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Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10466-10470
DOI: 10.1039/C5OB01808K, CommunicationLan Luo, Hisashi Yamamoto
Synthesis of virtually enantiopure aminodiols with three consecutive stereocenters is accomplished by a sequential cascade of epoxidation and ring-opening.
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Introducing a static receptor to compete with a dynamic combinatorial library in template binding

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10451-10455
DOI: 10.1039/C5OB01698C, CommunicationFilip Ulatowski, Dawid Lichosyt, Janusz Jurczak
Association constants can be obtained from HPLC analysis of a system comprising a dynamic combinatorial library and a static host.
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Novel sirtuin inhibitory warheads derived from the Nε-acetyl-lysine analog L-2-amino-7-carboxamidoheptanoic acid

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10442-10450
DOI: 10.1039/C5OB01721A, CommunicationYanhua He, Lingling Yan, Wenwen Zang, Weiping Zheng
Potent sirtuin inhibitory warheads respectively against SIRT1/2/3, SIRT5, and SIRT6 were identified in the current study among the carboxamide NH2-alkylated analogs of our lead sirtuin inhibitory warhead L-2-amino-7-carboxamidoheptanoic acid.
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An efficient transformation of furano-hydroxychalcones to furanoflavones via base mediated intramolecular tandem O-arylation and C-O bond cleavage: a new approach for the synthesis of furanoflavones

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10461-10465
DOI: 10.1039/C5OB01802A, CommunicationRajni Sharma, Ram A. Vishwakarma, Sandip B. Bharate
An efficient transformation of furano-hydroxychalcones to furanoflavones via an intramolecular tandem O-arylation followed by C-O bond cleavage is described.
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A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER)

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10437-10441
DOI: 10.1039/C5OB01827G, CommunicationT. Papalia, R. Lappano, A. Barattucci, A. Pisano, G. Bruno, M. F. Santolla, S. Campagna, P. De Marco, F. Puntoriero, E. M. De Francesco, C. Rosano, M. Maggiolini, P. Bonaccorsi
A Bodipy has been rationally designed and synthesized as a fluorescent ligand of GPER for diagnostic purposes and prospective therapeutic implications.
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Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10505-10510
DOI: 10.1039/C5OB01630D, PaperBolong Zhang, Jonathan M. White, David J. Jones, Wallace W. H. Wong
A class of fullerene bisadducts was synthesized in one-pot over two steps with regioselectivity using tether-directed functionalization approach. In extending this class of materials, interesting variations in regioselectivity was observed when different amino acid reactants were used.
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Synthetic studies on the bioactive tetramic acid JBIR-22 using a late stage Diels-Alder reaction

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10527-10531
DOI: 10.1039/C5OB01771H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.A. R. Healy, N. J. Westwood
A successful late-stage Diels-Alder cyclisation in the synthesis of JBIR-22 highlights it as a viable biosynthetic event.
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Recent advances in the ruthenium-catalyzed hydroarylation of alkynes with aromatics: synthesis of trisubstituted alkenes

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10420-10436
DOI: 10.1039/C5OB01472G, Review ArticleRajendran Manikandan, Masilamani Jeganmohan
The hydroarylation of alkynes with amide, azole, carbamate, phosphine oxide, amine, acetyl, sulfoxide and sulphur substituted aromatics in the presence of a ruthenium catalyst via chelation-assisted C-H bond activation is discussed.
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Application of design of experiments (DoE) optimization to the one-pot synthesis of 4,6-dihydropteridinones

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10471-10476
DOI: 10.1039/C5OB01154J, PaperSteven Stone, Tiansheng Wang, Jianglin Liang, John Cochran, Jeremy Green, Wenxin Gu
A design of experiments (DoE) analysis of a tandem SnAr-amidation cyclization reaction between 4-chloropyrimidin-5-amine and (S)-N-methylalanine to form (S)-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one is reported.
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The development of a short route to the API ropinirole hydrochloride

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10532-10539
DOI: 10.1039/C5OB01739D, PaperZeshan Yousuf, Andrew K. Richards, Andrew N. Dwyer, Bruno Linclau, David C. Harrowven
A four-step, three-stage synthesis of the API ropinirole hydrochloride has been developed from a commercially available naphthalene derivative.
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A pyrene-bridged macrocage showing no excimer fluorescence

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10511-10516
DOI: 10.1039/C5OB01644D, PaperHirokuni Shionari, Yusuke Inagaki, Kentaro Yamaguchi, Wataru Setaka
A pyrene bridged macrocage shows fluorescence from a monomeric excited state without excimer due to cage effects.
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Systematic synthesis of low-molecular weight fucoidan derivatives and their effect on cancer cells

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10556-10568
DOI: 10.1039/C5OB01634G, PaperAkihiro Kasai, Shinsuke Arafuka, Nozomi Koshiba, Daisuke Takahashi, Kazunobu Toshima
Low-molecular weight fucoidan derivatives with different sulfation patterns were designed, systematically synthesized, and evaluated for their anti-cancer activities against MCF-7 and HeLa cells.
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Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10569-10577
DOI: 10.1039/C5OB01343G, PaperR. A. Bawa, F.-M. Gautier, H. Adams, A. J. H. M. Meijer, S. Jones
Hydrogen bonding can be used to control the stereoselectivity of the cycloaddition of some anthracene derivatives. DFT calculations provide support for the origins of the selectivity in these reactions.
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Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4

Org. and Biomol. Chem. - 2 November, 2015 - 03:54

Org. Biomol. Chem., 2015, 13,10517-10526
DOI: 10.1039/C5OB01557J, PaperSunil Hamal, Thomas D'huys, William F. Rowley, Kurt Vermeire, Stefano Aquaro, Brian J. Frost, Dominique Schols, Thomas W. Bell
Newly synthesized pyridopentaazacyclopentadecanes and their transition metal complexes are shown to interact with the human chemokine receptor CXCR4, a key target for developing new therapeutic agents.
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