Royal Society of Chemistry

Modeling the magnetic properties of lanthanide complexes: relationship of the REC parameters with Pauling electronegativity and coordination number

Dalton Transactions - 2 July, 2015 - 13:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C5DT01839K, CommunicationJose J. Baldovi, Alejandro Gaita-Arino, Eugenio Coronado
The REC model has proven to be useful to study lanthanide SIMs. But do its effective charge parameters have any physical meaning? Here we relate Dr and Zi with the coordination numbers, valence and electronegativity.
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Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction

Dalton Transactions - 2 July, 2015 - 13:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C5DT01706H, PaperChui-Shan Tsang, Lingjing Chen, Lu-Wei Li, Shek-Man Yiu, Tai-Chu Lau, Hoi-Lun Kwong
The pyridine-containing ligands L1 and L2 react with Ni2+ ions to afford dinuclear triple-stranded helicate and tetrahedral cage supramolecular complexes, respectively; the two architectures exhibit contrasting reactivity towards electro- and photocatalytic proton reduction.
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BSA-directed synthesis of CuS nanoparticles as a biocompatible photothermal agent for tumor ablation in vivo

Dalton Transactions - 2 July, 2015 - 13:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C5DT01467K, PaperCai Zhang, Yan-Yan Fu, Xuejun Zhang, Chunshui Yu, Yan Zhao, Shao-Kai Sun
An albumin-directed CuS photothermal agent with inherent biocompatibility was developed in a facile procedure under mild reaction conditions for tumor ablation in vivo.
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Ir(III) complexes designed for light-emitting devices: beyond the luminescence color array

Dalton Transactions - 2 July, 2015 - 13:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C5DT01644D, PerspectiveKassio Papi Silva Zanoni, Rodolfo Lopes Coppo, Ronaldo Costa Amaral, Neyde Yukie Murakami Iha
This Perspective highlights the photophysics and recent breakthroughs in the study of emissive Ir(III) compounds, including a personal account elucidating the role of molecular and electronic structures in controlling the photophysics of heteroleptic [Ir(N^C)2(L^X)]+ complexes.
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Stereoselective formation and catalytic activity of hydrido(acylphosphane)(chlorido)(pyrazole)rhodium(III) complexes. Experimental and DFT studies

Dalton Transactions - 2 July, 2015 - 13:17

Dalton Trans., 2015, Advance Article
DOI: 10.1039/C5DT01705J, PaperVirginia San Nacianceno, Susan Azpeitia, Lourdes Ibarlucea, Claudio Mendicute-Fierro, Antonio Rodriguez-Dieguez, Jose M. Seco, Eider San Sebastian, Maria A. Garralda
Stereoselectivity assisted by hydrogen bond formation, inhibited by steric hindrance, predicted by DFT calculations.
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Influence of receptor flexibility on intramolecular H-bonding interactions

Org. and Biomol. Chem. - 1 July, 2015 - 23:54

Org. Biomol. Chem., 2015, Advance Article
DOI: 10.1039/C5OB00805K, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hongmei Sun, Kai Guo, Haifeng Gan, Xin Li, Christopher A. Hunter
Atropisomers of a series of zinc tetraphenyl porphyrins were synthesized and used as supramolecular receptors.
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Screening of Quinoline, 1,3-Benzoxazine, and 1,3-Oxazine-based Small Molecules Against Isolated Methionyl-tRNA Synthetase and A549 and HCT116 Cancer Cells Including an In Silico Binding Mode Analysis

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB00791G, PaperBharath Kumar, Chakrabhavi Dhananjaya Mohan, Shobith Rangappa, Tae-Hee Kang, Keerthy Hosadurga Kumar, Julian Fuchs, Kwon Nam Hoon, Andreas Bender, Sunghoon Kim, Salundi Basappa, Kanchugarakoppal S Rangappa
Elevated activity of methionyl-tRNA synthetase (MRS) in many cancers renders it a possible drug target in this disease area, as well as in a series of parasitic diseases. In the...
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The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01065A, PaperValery A. Ozeryanskii, Anastasia Yu. Gorbacheva, Alexander F. Pozharskii, Marina P. Vlasenko, Alexander Yu. Tereznikov, Margarita Sergeevna Chernov'yants
The first hybrid base constructed of 1,8-bis(dimethylamino)naphthalene (proton sponge or DMAN) and glycine, N-methyl-N-(8-dimethylamino-1-naphthyl)aminoacetic acid, was synthesised in high yield and its hydrobromide was structurally characterised and used to determine...
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Leishmania cell wall as a potent target for antiparasitic drugs. A focus on the glycoconjugates

Org. and Biomol. Chem. - 1 July, 2015 - 23:54

Org. Biomol. Chem., 2015, Advance Article
DOI: 10.1039/C5OB00563A, Review ArticleYari Cabezas, Laurent Legentil, Florence Robert-Gangneux, Franck Daligault, Sorya Belaz, Caroline Nugier-Chauvin, Sylvain Tranchimand, Charles Tellier, Jean-Pierre Gangneux, Vincent Ferrieres
The basic structure of membrane glycoconjugates in Leishmania still inspires therapeutic drugs fighting against this parasite.
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Pyrido[1,2-a]pyrimidinium ions - a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties

Org. and Biomol. Chem. - 1 July, 2015 - 23:54

Org. Biomol. Chem., 2015, Advance Article
DOI: 10.1039/C5OB01082A, PaperSusanta Kumar Manna, Arabinda Mandal, Suresh Kumar Mondal, Arup Kr Adak, Akash Jana, Somnath Das, Sourav Chattopadhyay, Somenath Roy, Shyamal Kr Ghorai, Shubhankar Samanta, Maidul Hossain, Mahiuddin Baidya
A novel class of bridgehead nitrogen heterocycles, pyrido[1,2-a]pyrimidinium ions, has been readily synthesized by a two-step one-pot reaction in high yields (up to 93%).
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Cyclic acetals as cleavable linkers for affinity capture

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01056J, PaperSiyeon Lee, Wei Wang, Younjoo Lee, Nicole Sampson
Labeling proteins with biotin is a widely used method to identify target proteins due to biotin's strong binding affinity for streptavidin. Combined with alkyne-azide cycloaddition, which enables the coupling of...
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Multicomponent Domino Reactions of Hydrazinecarbodithioates: A Concise Access to 3-Substituted 5-Thiol-1,3,4-Thiadiazolines

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01166C, CommunicationHuihui Jia, Huangdi Feng, Zhihua Sun
Two classes of addition/cycloaddition cascade reactions of hydrazinecarbodithioate (1) have been developed under mild reaction conditions. Reaction of hydrazinecarbodithioate (1) with formaldehyde solution (2) and propiolic acid (3) gives 3-propargyl-5-thiol-2,3-dihydro-1,3,4-thiadiazoles...
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Divergent synthesis of various iminocyclitols from D-ribose

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01042J, PaperRamu Petakamsetty, Vipin Kumar Jain, Pankaj Kumar Majhi, Ramesh Ramapanicker
A very efficient route to the distereoselective synthesis of polyhydroxy pyrrolidines, piperidines and azepanes from an aldehyde derivative of ribose is reported. Asymmetric [small alpha]-amination of aldehydes using proline catalysed hydrazination...
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Natural Nitric Oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB00964B, PaperJianghao Ma, Feng Zhao, Ying Wang, Yue Liu, Suyu Gao, Liqin Ding, Lixia Chen, Feng Qiu
An exploration for Nitric Oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis afforded one new salvialane-type sesquiterpene, phasalvione (1), two novel nor-sesquiterpenes, phaeocaudione (2) and phaeocauone (3), one aromatic...
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Quantum Chemical Study of [small omega]-Transaminase Reaction Mechanism

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB00690B, PaperKarim Engelmark Cassimjee, Bianca Manta, Fahmi Himo
[small omega]-Transaminases are valuable tools in biocatalysis due to their stereospecificity and their broad substrate range. In the present study, the reaction mechanism of Chromobacterium violaceum [small omega]-transaminase is investigated by means...
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Mixed behavior of p-phenylenediaminium guest binding with inverted cucurbit[6]uril host

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01074H, PaperJing Xin Liu, Zhu Tao, De-Qing Zhang, Rui-Lian Lin, Wen-Qi Sun, Qian-Jiang Zhu
Binding interaction between inverted cucurbit[6]uril (iQ[6]) and p-phenylenediaminium both in the solid state and in aqueous solution has been investigated by X-ray crystallography and 1H NMR spectroscopy. The experimental results...
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Copper-Mediated Cyanation of Indols and Electron-Rich Arenes Using DMF as a Single Surrogate

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01244A, PaperLianpeng Zhang, Ping Lu, Yan-Guang Wang
The copper-mediated cyanation of indols with DMF as a single surrogate has been realized. This approach could be applied for the cyanation of some electron-rich arenes and aryl aldehydes. Aryl...
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Concise Diastereoselective Synthesis of Calcaripeptide C via asymmetric transfer hydrogenation / Pd-induced Chiral Allenylzinc as a Key Reaction

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01164G, Paperkumaraswamy gullapalli, vykunthapu narayanarao, raju ragam
Synthesis of the natural product calcaripeptide C derived from the fungal metabolite mycelium KF525 of Calcarisporium sp. has been achieved. This complementary approach avoids the use of a stoichiometric amount...
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Photophysical and structural investigation of PyA-modified adenine cluster: its potential use for fluorescent DNA probes exhibiting distinct emission color changes

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB01159K, PaperKi Tae Kim, Wooseok Heo, Taiha Joo, Byeang Hyean Kim
In this study, we found PyA-modified adenine cluster (A-Cluster), a minimum fluorescent unit for significant emission wavelength changes, and investigated its photophysical and structural properties. The basic A-Cluster unit was...
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A [3+2]-annulation approach to tetrasubstituted furans from MBH-carbonates of acetylenic aldehydes via sequential substitution/cycloisomerization

Org. and Biomol. Chem. - 1 July, 2015 - 23:54
Org. Biomol. Chem., 2015, Accepted Manuscript
DOI: 10.1039/C5OB00989H, PaperRaji reddy Chada, Siddique Zabeeh Mohammed, Kumaraswamy Paridala
A novel metal-free approach to construct the tetrasubstituted furans from Morita-Baylis-Hillman (MBH)-carbonates of acetylenic aldehydes has been developed. This strategy involves the cascade nucleophilic substitution/5-exo-dig-cycloisomerization of MBH-carbonates with 1,3-dicarbonyl compounds...
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