Dalton Transactions

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Synthesis, size and magnetic properties of controllable MnFe2O4 nanoparticles with versatile surface functionalities

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,9885-9891
DOI: 10.1039/C4DT00089G, PaperBuhe Bateer, Chungui Tian, Yang Qu, Shichao Du, Ying Yang, Zhiyu Ren, Kai Pan, Honggang Fu
Oleic acid coated small size MnFe2O4 nanoparticles (NPs) are secondary coated with water-soluble surfactants to obtain NPs with highly zeta-potential values. These hydrophilic magnetic NPs can be applied in the removing of Pb(II) from contaminated water.
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Targeting cytotoxicity and tubulin polymerization by metal-carbene complexes on a purine tautomer platform

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,9838-9842
DOI: 10.1039/C4DT00529E, CommunicationShruti Khanna, Batakrishna Jana, Abhijit Saha, Prashant Kurkute, Surajit Ghosh, Sandeep Verma
This communication describes the synthesis, structural investigation and tubulin binding of purine rare imino tautomer based Ag(I) and Hg(II)-carbene complexes. These complexes exhibit cytotoxicity through tubulin interaction by binding to a site close to the GTP binding site.
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A novel 3D inorganic heteropoly blue as visible light responsive photocatalyst

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,10005-10012
DOI: 10.1039/C4DT00619D, PaperBao-Li Fei, Wen Li, Jinag-Hong Wang, Qing-Bo Liu, Jiang-Ying Long, Yang-Guang Li, Kui-Zhan Shao, Zhong-Min Su, Wei-Yin Sun
The first visible light responsive photocatalyst of inorganic four-electron reduced heteropoly blue (HPB) Ba4[SiWV4WVI8O40][middle dot]H2O (1) was synthesized.
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The energy transfer phenomena and colour tunability in Y2O2S:Eu3+/Dy3+ micro-fibers for white emission in solid state lighting applications

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,9860-9871
DOI: 10.1039/C4DT00349G, PaperS. Som, P. Mitra, Vijay Kumar, Vinod Kumar, J. J. Terblans, H. C. Swart, S. K. Sharma
This paper reports on the structural, optical and photometric characterization of an Eu3+/Dy3+ doped yttrium oxysulfide phosphor (Y2O2S:Eu3+/Dy3+) for near white emission in solid state lighting.
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Ca3Be6B5O16F: the first alkaline-earth beryllium borate with fluorine anions

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,9998-10004
DOI: 10.1039/C4DT00775A, PaperWenjiao Yao, Tao Xu, Xingxing Jiang, Hongwei Huang, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen
The first all-alkaline-earth beryllium borate with fluorine anions, Ca3Be6B5O16F, was synthesized by a spontaneous crystallization flux method using LiF-B2O3 as the flux.
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Charting the mechanism and reactivity of zirconium oxalate with hydroxamate ligands using density functional theory: implications in new chelate design

15 June, 2014 - 11:54

Dalton Trans., 2014, 43,9872-9884
DOI: 10.1039/C4DT00733F, PaperJason P. Holland, Neil Vasdev
DFT studies on Zr-oxalate reactivity with hydroxamic acids reveals new insight into the mechanism and coordination requirements of 89Zr4+ ions.
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Annealing effects on the properties of BFe2As2 (B = Ca, Sr, Ba) superconducting parents

11 June, 2014 - 10:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT01068J, PaperBayrammurad Saparov, Athena S. Sefat
Thermal annealing results in [similar]6 K shifts in the structural and magnetic transition temperatures of BaFe2As2 and SrFe2As2.
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Structural and thermodynamic similarities of phases in the Li-Tt (Tt = Si, Ge) systems: redetermination of the lithium-rich side of the Li-Ge phase diagram and crystal structures of Li17Si4.0-xGex for x = 2.3, 3.1, 3.5, and 4 as well as Li4.1Ge

11 June, 2014 - 10:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT00743C, PaperMichael Zeilinger, Thomas F. Fassler
Li17Ge4 was established as the lithium-richest and Li4.10Ge as a high-temperature phase in the revised Li-rich section of the Li-Ge phase diagram (>79 at% Li).
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Adsorption dominant catalytic activity of a carbon dots stabilized gold nanoparticles system

11 June, 2014 - 10:54

Dalton Trans., 2014, Advance Article
DOI: 10.1039/C4DT00630E, PaperRuihua Liu, Juan Liu, Weiqian Kong, Hui Huang, Xiao Han, Xing Zhang, Yang Liu, Zhenhui Kang
Carbon dots with abundant functional groups (-OH, -COOH, C[double bond, length as m-dash]O) on their surface were specially designed to enhance the adsorption capacity and the catalytic activity of AuNPs.
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Wide phase boundary zone, piezoelectric properties, and stability in 0.97(K0.4Na0.6)(Nb1-xSbx)O3-0.03Bi0.5Li0.5ZrO3 lead-free ceramics

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9419-9426
DOI: 10.1039/C4DT00768A, CommunicationTing Zheng, Jiagang Wu, Xiaojing Cheng, Xiaopeng Wang, Binyu Zhang, Dingquan Xiao, Jianguo Zhu, Xiaojie Lou
The R-T phase boundary was attained in 0.97(K0.4Na0.6)(Nb1-xSbx)O3-0.03Bi0.5Li0.5ZrO3 ceramics with a wide composition range of 0.035 [less-than-or-equal] x [less-than-or-equal] 0.08, and a giant d33 of 380-405 pC N-1 was observed.
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Cross-relaxation induced tunable emissions from the Tm3+/Er3+/Eu3+ ions activated BaGd2O4 nanoneedles

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9766-9776
DOI: 10.1039/C4DT00656A, PaperG. Seeta Rama Raju, E. Pavitra, Jae Su Yu
A novel combination of rare-earth ions activated BaGd2O4 unveiled tunable emissions owing to its dominant cross-relaxation rather than the energy transfer process.
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[NiFe] hydrogenases: how close do structural and functional mimics approach the active site?

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9392-9405
DOI: 10.1039/C4DT00539B, PerspectiveOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Sandeep Kaur-Ghumaan, Matthias Stein
Biomimetic and bioinspired analogues of the hydrogen activating enzyme are currently facing a divergence in terms of structure and function.
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Reversible cargo shipping between orthogonal stations of a nanoscaffold upon redox input

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9438-9447
DOI: 10.1039/C4DT00849A, PaperSoumen K. Samanta, Anup Rana, Michael Schmittel
Electrochemical oxidation-reduction prompted the cargo, i.e. a copper(I) phenanthroline, to be shipped reversibly on a subsecond time scale between the two different stations of nanoscaffold 2.
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45Sc NMR spectroscopy and first-principles calculation on the symmetry of ScO6 polyhedra in BaO-Sc2O3-based oxides

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9714-9721
DOI: 10.1039/C4DT00426D, PaperItaru Oikawa, Hitoshi Takamura
The correlation between the local structure and the electric-field gradient at the Sc site in ScO6 polyhedra in Sc2O3, Ba3Sc4O9 and BaSc2O4 was investigated by means of 45Sc NMR spectroscopy and DFT calculations.
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Unveiling the mechanism of selective gate-driven diffusion of CO2 over N2 in MFU-4 metal-organic framework

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9612-9619
DOI: 10.1039/C4DT00365A, PaperGerman Sastre, Johan van den Bergh, Freek Kapteijn, Dmytro Denysenko, Dirk Volkmer
Schematic view of the pore system of MFU-4. Two small pores, formed by chlorine ligands in cubic shape, are highlighted. Left: CO2 molecule in a small pore. Right: N2 molecule in a small pore.
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A computational study of ligand binding affinities in iron(III) porphine and protoporphyrin IX complexes

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9754-9765
DOI: 10.1039/C4DT01103A, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Marcus C. Durrant
In the context of antimalarial drug development, density functional theory has been used to model the interactions between a diverse set of 31 small ligands and the iron(III) centre of ferriprotoporphyrin IX, as well as key events in the crystallization of this molecule by the malaria parasite.
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Construction of covalent- and hydrogen-bonded assemblies from 1[prime or minute],1[prime or minute][prime or minute][prime or minute]-biferrocenediboronic acid as a new organobimetallic building block

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9579-9585
DOI: 10.1039/C4DT00988F, PaperKeishiro Tahara, Tetsuhiro Akita, Shohei Katao, Ken Tokunaga, Jun-ichi Kikuchi
Covalent- and hydrogen-bonded assemblies were constructed from 1[prime or minute],1[prime or minute][prime or minute][prime or minute]-biferrocenediboronic acid as a new organobimetallic building block.
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High pressure polymorphism of [small beta]-TaON

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9647-9654
DOI: 10.1039/C4DT00805G, PaperK. Woodhead, S. Pascarelli, A. L. Hector, R. Briggs, N. Alderman, P. F. McMillan
The high pressure behavior of TaON was studied using a combination of Raman scattering, synchrotron X-ray diffraction, and X-ray absorption spectroscopy in diamond anvil cells to 70 GPa at ambient temperature to reveal evidence for a new structural transformation near 30 GPa.
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Homoleptic and heteroleptic Au(I) complexes containing the new [Co5C(CO)12]- cluster as ligand

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9633-9646
DOI: 10.1039/C4DT00854E, PaperMarco Bortoluzzi, Iacopo Ciabatti, Cristina Femoni, Tiziana Funaioli, Mohammad Hayatifar, Maria Carmela Iapalucci, Giuliano Longoni, Stefano Zacchini
Homoleptic and heteroleptic Au(I) complexes containing the unprecedented [Co5C(CO)12]- carbide-cluster as ligand have been prepared, and fully characterised via X-ray crystallography, electrochemical and spectroelectrochemical methods.
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Solid solubility of rare earth elements (Nd, Eu, Tb) in In2-xSnxO3 - effect on electrical conductivity and optical properties

9 June, 2014 - 10:17

Dalton Trans., 2014, 43,9620-9632
DOI: 10.1039/C4DT00850B, PaperT. O. L. Sunde, M. Lindgren, T. O. Mason, M.-A. Einarsrud, T. Grande
Wide band-gap semiconductors doped with luminescent rare earth elements (REEs) have attracted recent interest due to their unique optical properties.
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