• 제목/요약/키워드: Molecular ionization

검색결과 244건 처리시간 0.023초

Analysis of nonionic surfactants and silicone polymers in cosmetic products using Matrix - assisted Laser Desorption/Ionization Time-of- flight Mass Spectrometry

  • Lee, Myoung-Hee;Lee, Gae-Ho;Yoo, Jong-Shin
    • 대한화장품학회:학술대회논문집
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    • 대한화장품학회 2003년도 IFSCC Conference Proceeding Book II
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    • pp.480-507
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    • 2003
  • A rapid and efficient method for analyzing the nonionic surfactants and silicone polymers, which control the shape and characteristics of cosmetic products and give influence on product quality, has been developed using Matrix-Assisted Laser Desorption Ionization Time of Flight Mass Spectrometry (MALDI- TOF IMS). The MALDI-TOF/MS could easily and effectively determine the molecular weight distribution and monomer units of nonionic surfactants. As a result, creating a library of mass spectrum data of surfactants used in cosmetic products using MALDI-TOF/MS and analyzing surfactants extracted from the products may become a useful method for detailed structural characterization of the surfactants. Furthermore, the MALDI-TOF/MS analysis was effective in obtaining the spectrum of silicone polymers from which the molecular weight distribution could be determined. The repetition units and structural data could also be obtained through molecular mass peaks. Additionally, the monomer ratio and terminal groups as properties of silicone copolymers could be determined

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Analysis of Fatty Acyl Groups of Diacyl Galactolipid Molecular Species by HPLC/ESI-MS with In-source Fragmentation

  • Gil, Ji-Hye;Hong, Jong-Ki;Choe, Joong-Chul;Kim, Young-Hwan
    • Bulletin of the Korean Chemical Society
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    • 제24권8호
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    • pp.1163-1168
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    • 2003
  • The structures of molecular species of galactolipids, such as monogalactosyl diacylglycerol (MGDG) and digalactosyl diacylglycerol (DGDG), isolated from wheat flour have been investigated using negative-ion electrospray ionization (ESI) mass spectrometry interfaced with high performance liquid chromatography (HPLC). According to the result of HPLC analysis, MGDG and DGDG were found to consist of mixtures of five and four molecular species, respectively. The galactolipids have been also analyzed to determine their fatty acid compositions, using HPLC/ESI-MS combined with in-source (or cone voltage) fragmentation. HPLC/ ESI-MS is very useful for one-step analysis of mixtures of galactolipids with a small sample quantity. Especially, the carboxylate anions produced in in-source fragmentations of the negative-ion of each component separated by HPLC provide valuable information on the composition of its fatty acyl chains.

고전압용 리튬이차전지 바인더 개발을 위한 시뮬레이션 및 전기화학 평가 비교를 통한 산화분해전압 예측 연구 (The Study on Prediction of Oxidative Decomposition Potential by Comparison between Simulation and Electrochemical Methods to Develop the Binder for High-voltage Lithium-ion Batteries)

  • 유지민;알렉세이 카사에프;이맹은
    • 전기화학회지
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    • 제16권3호
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    • pp.177-183
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    • 2013
  • 고전압에서도 사용 가능한 바인더 개발에 대한 요구가 증대됨에 따라 이에 적합한 내산화성이 우수한 바인더를 양자화학적 모델링에 기반하여 제안하고자 하였다. 각 고분자 poly(acryl amide)(PAM), poly(methyl acrylate)(PMA), poly(vinylidene fluoride)(PVDF), poly(hexafluropropylene)(PHFP)에 대하여 반경험적 방법(Semi-empirical method) 및 밀도범함수 이론(Density Functional Theory, DFT) 방법을 이용하여 단량체부터 사량체까지의 고분자 바인더에 대한 최고 점유 분자 궤도함수(Highest occupied molecular orbital, HOMO) 에너지와 이온화 에너지(Ionization Potential, IP) 값을 구하여 실험 값과 비교하였다. 밀도범함수 방법으로 해석한 결과, PHFP, PVDF, PMA, PAM 순으로 고분자의 내산화성이 좋은 것으로 시뮬레이션을 통해 예측되었고, 이러한 결과는 선형 훑음 전압-전류법(Linear Sweep Voltametry, LSV)으로부터 얻은 실험값과 일치하였다. 또한 이 결과는 HOMO 오비탈의 구조를 분석하여 내산화성이 좋은 원인을 규명하였다.

Direct Analysis in Real Time Mass Spectrometry: a Powerful Tool for Fast Analysis

  • Li, Xianjiang;Wang, Xin;Li, Linnan;Bai, Yu;Liu, Huwei
    • Mass Spectrometry Letters
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    • 제6권1호
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    • pp.1-6
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    • 2015
  • Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.

Electronic Structure of Organic/organic Interface Depending on Heteroepitaxial Growth Using Templating Layer

  • Lim, Hee Seon;Kim, Sehun;Kim, Jeong Won
    • Applied Science and Convergence Technology
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    • 제23권6호
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    • pp.351-356
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    • 2014
  • The electronic structure at organic-organic interface gives essential information on device performance such as charge transport and mobility. Especially, the molecular orientation of organic material can affect the electronic structure at interface and ultimately the device performance in organic photovoltaics. The molecular orientation is examined by the change in ionization potential (IP) for metal phthalocyanines (MPc, M=Zn, Cu)/fullerene ($C_{60}$) interfaces on ITO by adding the CuI templating layer through ultraviolet photoelectron spectroscopy measurement. On CuPc/$C_{60}$ bilayer, the addition of CuI templating layer represents the noticeable change in IP, while it hardly affects the electronic structure of ZnPc/$C_{60}$ bilayer. The CuPc molecules on CuI represent relatively lying down orientation with intermolecular ${\pi}-{\pi}$ overlap being aligned in vertical direction. Consequently, in organic photovoltaics consisting of CuPc and $C_{60}$ as donor and acceptor, respectively, the carrier transport along the direction is enhanced by the insertion of CuI templaing layer. In addition, optical absorption in CuPc molecules is increased due to aligned transition matrix elements. Overall the lying down orientation of CuPc on CuI will improve photovoltaic efficiency.

Characterization of Poly(ethylene oxide)-b-Poly(L-lactide) Block Copolymer by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

  • Jeongmin Hong;Donghyun Cho;Taihyun Chang;Shim, Woo-Sun;Lee, Doo-Sung
    • Macromolecular Research
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    • 제11권5호
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    • pp.341-346
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    • 2003
  • A poly(ethylene oxide)-b-poly(L-lactide) diblock copolymer (PEO-b-PLLA) is characterized by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) and a block length distribution map is constructed. Although the MALDI- TOF mass spectrum of PEO-b-PLLA is very complicated, most of the polymer species were identified by isolating the overlapped isotope patterns and by fitting the overlapped peaks to the Schulz-Zimm distribution function. Reconstructed MALDI-TOF MS spectrum was nearly identical to the measured spectrum and this method shows its potential to be developed as an easy and fast analysis method of low molecular weight block copolymers.

A Simple and Sensitive High Performance Liquid Chromatography-Electrospray Ionization/Mass Spectrometry Method for the Quantification of Ethyl Pyruvate in Rat Plasma

  • Kim, Hyun-Ji;Kim, Seung-Woo;Lee, Ja-Kyeong;Yoon, Sung-Hwa
    • Bulletin of the Korean Chemical Society
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    • 제32권4호
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    • pp.1221-1227
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    • 2011
  • Ethyl pyruvate (EP) is known as a scavenger of reactive oxygen species (ROS) in the body through its role in the donation of diketone groups to metals to form an EP-metal complex. In order to develop a method for the quantification of EP in biological media, a sensitive and specific, high-performance liquid chromatographyelectrospray ionization-mass spectrometry (HPLC-ESI/MS) method is used to determine the EP-alkali metal ion binding species. The analyte was separated on a ZORBOX SB-C8 ($3.5{\mu}m$, $30mm{\times}2.1mm$ I.D.) column and analyzed in selected ion monitoring (SIM) mode with a positive ESI interface using the m/z 255 $[2M + Na]^+$ ion. The method was validated over the concentration range of $0.5-60.0\;{\mu}g$/mL under 1/9 (v/v) of acetonitrile/methanol solvent system with flow rate 0.05 mL/min. The limit of quantification (LOQ) was $0.5{\mu}g$/mL.

절연유체 내 2상유동을 고려한 뇌임펄스 응답 유한요소해석 (Finite Element Analysis for Dielectric Liquid Discharge under Lightning Impulse Considering Two-Phase Flow)

  • 이호영;이종철;장용무;이세희
    • 전기학회논문지
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    • 제60권11호
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    • pp.2097-2102
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    • 2011
  • Discharge analysis technique for dielectric liquid was presented by using the Finite Element Analysis (FEA) under a lightning impulse incorporating two-phase flow phenomena which described gas and liquid phases in discharge space. Until now, the response of step voltage has been extensively explored, but that of lightning impulse voltage was rarely viewed in the literature. We, therefore, developed an analyzing technique for dielectric liquid in a tip-sphere electrode stressed by a high electric field. To capture the bubble phase, the Heaviside function was introduced mathematically and the material functions for the ionization, dissociation, recombination, and attachment were defined in liquid and bubble, respectively. By using this numerical setup, the molecular dissociation and ionization mechanisms were tested under low and high electric fields resulted from the lightning impulse voltage of 1.2/50 ${\mu}s$. To verify our numerical results, the velocity of electric field wave was measured and compared to the previous experimental results which can be viewed in many papers. Those results had good agreement with each other.