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2.129 Aktuelle Fachpublikationen zum Thema temperature

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Hydrogen-bond Structure and Anharmonicity in Croconic Acid

29.10.2014 | Sanghamitra Mukhopadhyay; Matthias J Gutmann; Felix Fernandez-Alonso, Physical Chemistry Chemical Physics, 2014

First-principles molecular dynamics simulations and neutron-scattering experiments have been employed to investigate the structure and underlying vibrational motions in croconic acid as a function of temperature over the range 4-400K. Calculated hydroxyl-bond distances were within 4 % of the ...


Etching of glass microchips with supercritical water

28.10.2014 | P. Karásek; Jakub Grym; M. Roth; Josef Planeta; Frantisek Foret, Lab on a Chip, 2014

A novel method of etching channels in glass microchips with the most tunable solvent, water, was tested as an alternative to common hydrogen fluoride-containing etchants. The etching properties of water strongly depend on temperature and pressure, especially in the vicinity of the water critical ...


Hydrogen storage in Platinum decorated Hydrogen Exfoliated Graphene sheets by spillover mechanism

28.10.2014 | Sundara Ramaprabhu; Puthusseri Divya, Physical Chemistry Chemical Physics, 2014

Development of lightweight materials with high hydrogen storage capacity at ambient temperature is a great challenge in the hydrogen economy. Here, we report high-pressure hydrogen adsorption-desorption studies of platinum nanoparticles decorated hydrogen exfoliated graphene (Pt-HEG). Pt-HEG ...


Hydrogen-bond relaxation dynamics: Resolving mysteries of water ice

26.10.2014 | Author(s): Yongli Huang , Xi Zhang , Zengsheng Ma , Yichun Zhou , Weitao Zheng , Ji Zhou , Chang Q. Sun, Coordination Chemistry Reviews, 2014

Publication date: Available online 23 October 2014 Source:Coordination Chemistry Reviews Author(s): Yongli Huang , Xi Zhang , Zengsheng Ma , Yichun Zhou , Weitao Zheng , Ji Zhou , Chang Q. Sun We present recent progress in understanding the anomalous behavior of water ice under ...


An AAA–DDD Triply Hydrogen‐Bonded Complex Easily Accessible for Supramolecular Polymers

22.10.2014 | Yi‐Fei Han, Wen‐Qiang Chen, Hong‐Bo Wang, Ying‐Xue Yuan, Na‐Na Wu, Xiang‐Zhi Song, Lan Yang, Chemistry - A European Journal, 2014

Abstract For a complementary hydrogen‐bonded complex, when every hydrogen‐bond acceptor is on one side and every hydrogen‐bond donor is on the other, all secondary interactions are attractive and the complex is highly stable. AAA–DDD (A=acceptor, D=donor) is considered to be the most stable ...


Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design

22.10.2014 | Gilbert Y. Huang; Oksana O. Gerlits; Matthew P. Blakeley; Banumathi Sankaran; Andrey Y. Kovalevsky; Choel Kim, Biochemistry, 2014

High selectivity of cyclic-nucleotide binding (CNB) domains for cAMP and cGMP are required for segregating signaling pathways; however, the mechanism of selectivity remains unclear. To investigate the mechanism of high selectivity in cGMP-dependent protein kinase (PKG), we determined a ...


Effect of three 2-allyl-p-mentha-6,8-dien-2-ols on inhibition of mild steel corrosion in 1M HCl

21.10.2014 | Author(s): S. Kharchouf , L. Majidi , M. Bouklah , B. Hammouti , A. Bouyanzer , A. Aouniti, Arabian Journal of Chemistry, 2014

Publication date: November 2014 Source:Arabian Journal of Chemistry, Volume 7, Issue 5 Author(s): S. Kharchouf , L. Majidi , M. Bouklah , B. Hammouti , A. Bouyanzer , A. Aouniti 2-Allyl-p-mentha-6,8-dien-2-ols P1−P3 synthesized from carvone P are tested as corrosion inhibitors of ...


Living Supramolecular Compounds: Influence of Multiple Hydrogen Bond Connection on Molecular Configuration of Monophosphate or Pyrophosphate Thiamine with Anions or Coordination Anions

20.10.2014 | Xiao Xi Zhang, Rui Zhang, Qiao Sun, Si Yue Wei, Xue Ting Xu, Ji Xiao Wang, Feng Ying Bai, Yong Heng Xing, Zeitschrift für anorganische und allgemeine Chemie, 2014

Abstract Three supramolecular compounds with monophosphate or pyrophosphate esters of thiamine, namely, [TPPH+·CF3SO3·H2O] (1), [TMPH+·(CdCl4)0.5·2H2O] (2), and [TMPH+·NO3·2.5H2O] (3) (TPP = thiamine pyrophosphate, TMP = thiamine monophosphate) were synthesized in methanol or water systems at ...


Molecular Origin of the Self-Assembled Morphological Difference Caused by Varying the Order of Charged Residues in Short Peptides

20.10.2014 | Li Deng; Peng Zhou; Yurong Zhao; Yanting Wang; Hai Xu, Journal of Physical Chemistry B, 2014

In order to understand how microscopic molecular interactions between short peptides determine their mesoscopic self-assembled morphology, we studied the microscopic assembled structures of the short peptides I4K2 and KI4K, which have the same amino acid composition but different sequences, by ...


From orientation disordered to ordered—An ab initio simulation on ammonia borane phase transition within Van Der Waals corrections

18.10.2014 | Qi Song, Zhenyi Jiang, Zhiyong Zhang, Yuqing Hou, Xiaodong Zhang, Journal of Computational Chemistry, 2014

In this work, we report a detailed theoretical investigation of the phase transition of ammonia borane (NH3BH3; AB), from a tetragonal I4mm ( ) phase with disordered orientation of hydrogen to an orthorhombic phase with Pmn21 ( ) symmetry, as a function of temperature based on Density Functional ...


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