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Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour

08-Oct-2015 | Jordi Sola; Ignacio Alfonso; Michael Bolte, Organic & Biomolecular Chemistry, 2015

1,4-substituted triazole oligomers made from quaternary amino acid derivatives present a conformational behaviour with similarities to that of natural peptides. Twisted strand and zig-zag type conformations have been both obtained in the crystal state. In solution signs of weak ordered structures ...


Self-assembled Metallogels Formed From N, N', N''-tris(4-pyridyl)-trimesic amide in Aqueous Solution Induced by Fe(III)/Fe(II) Ions

08-Oct-2015 | Jin-Lian Zhong; Xin-Jian Jia; Hui-jin Liu; xuzhong luo; San-Guo Hong; Ning Zhang; Jianbin Huang, Soft Matter, 2015

In this work, we report self-assembled metallogels formed from a ligand of trimesic amide, N,N′,N″-tris(4-pyridyl)trimesic amide (TPTA), induced by Fe(III)/Fe(II) ions. TPTA is difficult to dissolve in water even in the presence of some metal ions such as Cu2+, Co2+, Ni2+, K+, Na+ and Mg2+ under ...


Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table

07-Oct-2015 | Joshua R. Mulder, Célia Fonseca Guerra, J. Chris Slootweg, Koop Lammertsma, F. Matthias Bickelhaupt, Journal of Computational Chemistry, 2015

A comprehensive theoretical treatment is presented for the electronic excitation spectra of ca. 50 different mono‐, di‐, and tetrasubstituted naphthalenediimides (NDI) using time‐dependent density functional theory (TDDFT) at ZORA‐CAM‐B3LYP/TZ2P//ZORA‐BP86/TZ2P with COSMO for simulating the ...


Solutions of complex copper salts in LTTM

07-Oct-2015 | Maxim A. Zakharov; Gennady V. Fetisov; Alexey A. Veligzhanin; Michael A. Bykov; Ksenia A. Paseshnichenko; Sergei F. ..., Dalton Transactions, 2015

The structure and properties of diethanolamine complexes of copper(II) triflates dissolved in excess of diethanolamine (DH2) were studied. The copper containing substance was found to be a solution of copper(II) complex salt [Cu2+DH2(DH-)]OTf- in LTTM composition [(DH2)4H+](OTf-), where LTTM = ...


Surface vs Solution Hybridization: Effects of Salt, Temperature, and Probe Type

07-Oct-2015 | Wanqiong Qiao; Hao-Chun Chiang; Hui Xie; Rastislav Levicky, Chemical Communication, 2015

Hybridization thermodynamics on solid supports are compared with those in solution for two types of hybridization probe, DNA and uncharged morpholino oligonucleotides of identical sequences. Trends in hybridization affinity are discussed with respect to ionic strength, temperature, and surface ...


Fast switching from isotropic liquids to nematic liquid crystals: rotaxanes as smart fluids

07-Oct-2015 | Hao He; Edith M. Sevick; David R. M. Williams, Chemical Communication, 2015

We examine a solution of rod-like piston-rotaxanes, which can switch their length by external excitation (for example optically) from a short state of length L to a long state of length qL. We show that this solution can exhibit a number of different behaviours. In particular it can rapidly ...


Anharmonicities and coherent vibrational dynamics of phosphate ions in bulk H2O

07-Oct-2015 | Rene Costard; Tobias Tyborski; Benjamin P. Fingerhut, Physical Chemistry Chemical Physics, 2015

Phosphates feature prominently in the energetics of metabolism and are important solvation sites of DNA and phospholipids. Here we investigate the ion H2PO4- in aqueous solution combining 2D IR spectroscopy of phosphate stretching vibrations in the range from 900-1300 cm-1 with ab-initio ...


Facile synthesis of nanostructured TiNb2O7 anode materials with superior performance for high-rate lithium ion batteries

07-Oct-2015 | Shuaifeng Lou; Yulin Ma; XinQun Cheng; Jinlong Gao; Yunzhi Gao; Pengjian Zuo; ChunYu Du; Geping Yin, Chemical Communication, 2015

One-dimensional nanostructured TiNb2O7 was prepared by a simple solution-based process and subsequent thermal annealing. The obtained anode materials exhibited excellent electrochemical performance with superior reversible capacity, rate capability and cyclic stability.


Solution-processed morphology-controllable nanosphere structured highly efficient and stable nickel sulfide counter electrode for dye-and quantum dot-sensitized solar cells

07-Oct-2015 | Mallineni Venkata Haritha; Chandu V.V.M Gopi; Soo-Kyoung Kim; Jae-Cheol Lee; Heeje Kim, New Journal of Chemistry, 2015

Metal sulfide counter electrodes comprising NiS nanosphere thin films were deposited on fluorine-doped tin oxide (FTO) substrate with different concentrations of urea. The electrodes were used as counter electrodes (CE) in solar cells. The surface morphology of the NiS thin film is greatly ...


Intrinsic anisotropic crystallization of gold into microplates

07-Oct-2015 | Sanju Francis; Lalit Varshney, CrystEngComm, 2015

In solution-based methods for the synthesis of crystals, capping agents provide stability to the system and are also believed to play a crucial role in producing crystals with controlled morphologies. In this study, we show that gold crystals with plate morphology can be produced without using ...


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