Locally Self-Adjustive Smoothing for Measurement Noise Reduction with Application to Automated Peak Detection

Smoothing is widely used approach for measurement noise reduction in spectral analysis. However, it suffers from signal distortion caused by peak suppression. A locally self-adjustive smoothing method is developed that retains sharp peaks and less distort signals. The proposed method uses only one parameter that determines global smoothness, while balancing the local smoothness using data itself. Simulation and real experiments in comparison with existing convolution-based smoothing methods indicate both qualitatively and quantitatively improved noise reduction performance in practical scenarios. We also discuss parameter selection and demonstrate an application for the automated smoothing and detection of a given number of peaks from noisy measurement data

Order-to-disorder structural transformation of a coordination polymer and its influence on proton conduction.

Accepted 14 Jul 2014.We observed an ordered-to-disordered structural transformation in a Cu(2+) coordination polymer and investigated its influence on the proton conductivity. The transformation generated highly mobile proton carriers in the structure. The resulting material exhibited a conductivity greater than 10(-2) S cm(-1) at 130 °C. The structural transformation and the conduction mechanism were investigated by EXAFS, TPD-MS and NMR

低湿度環境で作動するプロトン伝導性配位高分子の合成および評価

京都大学0048新制・論文博士博士(工学)乙第13071号論工博第4148号新制||工||1659(附属図書館)33222(主査)教授 北川 進, 教授 松田 建児, 教授 阿部 竜学位規則第4条第2項該当Doctor of Philosophy (Engineering)Kyoto UniversityDGA

Template-directed proton conduction pathways in a coordination framework

We present a strategy for creating coordination frameworks exhibiting proton conduction with thermal stability. The coordination framework, where template cations link 1-D chains via hydrogen bonds, has dynamic hydrogen bond networks where protons move without water support. Solid-state NMR and X-ray studies visualized the proton hopping mechanism, and revealed that the templates provide the bridging of the 1-D chains to attain proton conduction. The templates also enable the proton conductive networks to be maintained at 190 °C through multiple interactions between the templates and the 1-D chains

Inherent Proton Conduction in a 2D Coordination Framework

We synthesized a coordination polymer consisting of Zn²⁺, 1,2,4-triazole, and orthophosphates, and demonstrated for the first time intrinsic proton conduction by a coordination network. The compound has a two-dimensional layered structure with extended hydrogen bonds between the layers. It shows intrinsic proton conductivity along the direction parallel to the layers, as elucidated by impedance studies of powder and single crystals. From the low activation energy for proton hopping, the conduction mechanism was found to be of the Grotthuss fashion. The hopping is promoted by rotation of phosphate ligands, which are aligned on the layers at appropriate intervals

Fast Conduction of Organic Cations in Metal Sulfate Frameworks

We demonstrated a new method of synthesizing crystalline organic cation conductors. The conductivities of various organic cations involved in a one-dimensional zinc sulfate framework were studied. The optimized structure (EMIm)₂[Zn­(SO₄)₂] exhibited an ionic conductivity of 3.8 × 10^–3 S cm^–1 at 210 °C, which is comparable to that of highly conductive organic ionic plastic crystals. The high ionic conductivity is attributable to the defect structures of the organic cations in the inorganic frameworks. The pulsed-field gradient solid-state NMR technique revealed that the self-diffusion coefficient of organic cations in the zinc sulfate at 80 °C is comparable to that of the popular ionic liquid EMIm-BF₄ at 30 °C, which indicates that liquid-like fast transporting of organic cation is achieved in the robust crystal structure

Fast Conduction of Organic Cations in Metal Sulfate Frameworks

We demonstrated a new method of synthesizing crystalline organic cation conductors. The conductivities of various organic cations involved in a one-dimensional zinc sulfate framework were studied. The optimized structure (EMIm)₂[Zn­(SO₄)₂] exhibited an ionic conductivity of 3.8 × 10^–3 S cm^–1 at 210 °C, which is comparable to that of highly conductive organic ionic plastic crystals. The high ionic conductivity is attributable to the defect structures of the organic cations in the inorganic frameworks. The pulsed-field gradient solid-state NMR technique revealed that the self-diffusion coefficient of organic cations in the zinc sulfate at 80 °C is comparable to that of the popular ionic liquid EMIm-BF₄ at 30 °C, which indicates that liquid-like fast transporting of organic cation is achieved in the robust crystal structure

Reversible Solid-to-Liquid Phase Transition of Coordination Polymer Crystals

The solid-to-liquid phase transition, a fundamental process commonly observed for various types of substances with significant potential for application, has been given little attention in the field of coordination polymers (CPs) despite the rich functionality of these compounds. In this article, we report the reversible solid-to-liquid phase transition of crystalline CPs. These CPs are composed of zinc ions, phosphate, and azoles, and a well-balanced composition, ionicity, and bond strength afford “melting” CPs. We examined the structure of one such melting framework in the liquid and glass states and found that the coordination bonds are not fully preserved in the liquid state but are re-formed in the glass state. As a demonstration, we fabricated, via phase transition, a thin film with an aligned crystal orientation and a monolith crystal of the CP