• Title/Summary/Keyword: molecular charge

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Molecular Pharmacological Interaction of Phenylbutazone to Human Neutrophil Elastase

  • Kang, Koo-Il
    • The Korean Journal of Physiology and Pharmacology
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    • v.2 no.3
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    • pp.385-393
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    • 1998
  • Human neutrophil elastase (HNElastase, EC 3.4.21.37), a causative factor of inflammatory diseases, was purified by Ultrogel AcA54 gel filtration and CM-Sephadex ion exchange chromatography. HNElastase was inhibited by phenylbutazone in a concentration dependent manner up to 0.4 mM, but as the concentration increased, the inhibitory effect gradually diminished. Binding of phenylbutazone to the human neutrophil elastase caused strong Raman shifts at 200, 440, and 1194 $cm^{-1}$. The peak at 1194 $cm^{-1}$ might be evidence of the presence $of\;-N=N-{\Phi}$ radical. The core area of the elastase, according to the visual molecular model of human neutrophil elastase, was structurally stable. A deeply situated active center was at the core area surrounded by hydrophobic amino acids. Directly neighboring the active site was one positively charged atom and two atoms carrying a negative charge, which enabled the enzyme and the drug to form a strong interaction. Phenylbutazone may form a binding, similar to a key & lock system to the atoms carrying opposite charges near the active site of the enzyme molecule. Furthermore, the hydrophobicity of the surrounding amino acid near the active site seemed to enhance the binding strength of phenylbutazone. Binding of phenylbutazone near the active site may cause masking of the active site, preventing the substrate from approaching the active site and inhibiting elastase activity.

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Structural Determination of Fatty Acyl Groups of Phospholipids by Fast Atom Bombardment Tandem Mass Spectrometry of Sodium Adduct Molecular Ions

  • 김영환;유종신;김명수
    • Bulletin of the Korean Chemical Society
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    • v.18 no.8
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    • pp.874-880
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    • 1997
  • Various classes of phospholipids were investigated for the structural determination of fatty acyl groups by fast atom bombardment tandem mass spectrometry (FAB-MS/MS). Phospholipids were desorbed by FAB as molecules chelated with sodium ion (or ions). Collision-induced dissociation (CID) of intact sodium adduct molecular ions ([M+Na]+, [M-H+2Na]+ or [M+Na-2H]-) produced a series of homologous fragment ions via the charge-remote fragmentation along the fatty acid chains. These ions were found useful to locate the double bond positions even for the polyunsaturated fatty acid chains. The regiospecificity of the acyl chain linkages in phosphatidylcholine (PC) could also be determined based on the ratio of relative abundance of the product ions (i.e., [M+Na-85-R2COOH]+ vs [M+Na-85-R1COOH]+) in CID-MS/MS of [M+Na]+. These are generated by the loss of fatty acyl groups at sn-1 and sn-2, respectively, together with the choline group. In all the phospholipid compounds investigated, loss of the fatty acid at the sn-2 position was dominant. The present method was applied to the structural determination of molecular species of phosphatidylglycerols (PG) isolated from cyanobacterium Synechocystis sp. PCC 6803.

Characteristic Stereostructures and Regioselectivity of Biogenic Pathway of FPTase Inhibition Materials Isolated from Artemisia sylvatica (그늘쑥(Artemisia sylvatica Max.)으로부터 분리된 FPTase 저해활성 물질들의 구조적인 특성과 biogenic pathway의 배향성)

  • Kwon, Byung-Mok;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.45 no.4
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    • pp.223-227
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    • 2002
  • Characteristic stereostructures of farnesyl protein transferase (FPTase) inhibition materials isolated from Artemisia sylvatica and regioselectivity of biogenic Diels-Alder reactions between dehydromatricarin molecules A and B were examined quantitatively. Results revealed that the major reaction of frontier molecular orbital (FMO) interaction proceeds through charge-control reaction between LUMO of A16, dienophile and HOMO of B1, diene, and the isolated 8-acetylarteminolide and artanomaloide were minor products. FPTase inhibition activity and hydrophobicity of 8-acetylarteminolide were $pI_{50}=3.75$ and logP=2.62, respectively. FPTase inhibition activity of 8-acetylarteminolide was higher than those of artanomaloide and dehydromatricarin.

The design and fabricationt for ion fraction measurement of plasma generator (플라즈마발생기의 이온분율 측정 장치 설계 및 제작)

  • Lee, Chan-Young
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2008.11a
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    • pp.368-368
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    • 2008
  • Ion implantation has been widely developed during the past decades to become a standard industrial tool. To comply with the growing needs in ion implantation, innovative technology for the control of ion beam parameters is required. Beam current, beam profile, ion fractions are of great interest when uniformity of the implant is an issue. Especially, it is important to measure the spatial distribution of beam power and also the energy distribution of accelerated ions. This energy distribution is influenced by the proportion of mass for ion in the plasma generator(ion source) and by charge exchange and dissociation within the accelerator structure and also by possible collective effects in the neutralizer which may affect the energy and divergence of ions. Hydrogen atom has been the object of a good study to investigate the energy distribution. Hydrogen ion sources typically produce multi-momentum beams consisting of atomic ion ($H^+$) and molecular ion ($H_2^+$ and $H_3^+$). In the beam injector, the molecular ions pass through a charge-exchanges gas cell and break up into atomic with one-half (from $H_2^+$) or one-third (from $H_3^+$) according to their accelerated energy. Burrell et al. have observed the Doppler shifted lines from incident $H^+$, $H_2^+$, and $H_3^+$ using a Doppler shift spectroscopy. Several authors have measured the proportion of mass for hydrogen ion and deuterium using an ion source equipped with a magnetic dipole filter. We developed an ion implanter with 50-KeV and 20-mA ion source and 100-keV accelerator tube, aiming at commercial uses. In order to measure the proportion of mass for ions, we designed a filter system which can be used to measure the ion fraction in any type of ion source. The hydrogen and helium ion species compositions are used a filter system with the two magnets configurations.

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Studies on the Quality Improvement of Printing Paper by Process Controlling of DIP and TMP (탈묵펄프 및 열기계펄프의 공정 조절을 통한 인쇄용지의 품질향상 연구)

  • Hwang, Sung-Jun;Lim, Jong-Keun;Kim, Hyoung-Jin;Chung, Sung-Hyun
    • Journal of Korea Technical Association of The Pulp and Paper Industry
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    • v.47 no.5
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    • pp.5-14
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    • 2015
  • Recently, the use of wood resources has been limited due to global environmental change, like global warming and desertification. It is very critical in Korea's paper industries because lots of virgin pulp are dependant on direct import from abroad for printing grade of paper. In this work, the alternatively best available technique for reducing the import amounts of BKP (bleached Kraft pulp) was considered by mixing DIP (deinked pulp) and TMP (thermomechanical pulp) for the manufacture of high quality paper. Generally known, the sheet prepared from fibrous raw materials of DIP and TMP has lower strength and optical properties than that prepared from BKP. This study was aimed to improve the sheet quality by using DIP and TMP. 4 kinds of polyelectrolytes were approached to find out the best effects on physical strength and optical brightness improvements, and high retention behaviors with GCC (ground calcium carbonate). In conclusion, amphoteric PAM with 1,000,000 molecular weight (g/mol) and 0.5 charge density (meq/g) was best for the improvement of strength properties with the mixture of DIP and TMP. GCC retention rate was also the highest with cationic-PAM of above 2,000,000 molecular weight (g/mol) and about 2.0-3.0 charge density (meq/g) of strengthening agent.

Synthesis and Properties of Nonfluoro Aminated Poly(vinylbenzyl chloride-co-ethyl methacrylate-co-styrene) Anion Exchange Membranes for MCDI Process (막 축전식 탈염용 비불소계 아민화 Poly(vinylbenzyl chloride-co-ethyl methacrylate-co-styrene) 음이온교환막의 합성 및 특성)

  • Koo, Jin-Sun;Kwak, Noh-Seok;Hwang, Taek-Sung
    • Polymer(Korea)
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    • v.36 no.5
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    • pp.564-572
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    • 2012
  • A terpolymer of vinylbenzyl chloride-co-ethyl methacrylate-co-styrene (VBC-EMA-St) was prepared for membrane capacitive deionization (MCDI) by radical polymerization and amination reaction of various amination times. Nonfluoro aminated VBC-EMA-St anion-exchange membranes were characterized by Fourier transform infrared (FTIR) spectrometry. Molecular weight, polydispersity and thermal stability were obtained by gel permeation chromatography (GPC) and thermogravimetric analysis (TGA). The basic properties such as water uptake, ion exchange capacity, electrical resistance and CDI charge-discharge current were measured. The optimal values of ion exchange capacity, water uptake, electrical resistance and molecular weight of synthesized anion-exchange membrane were 1.69 meq/g, 23.7%, 1.61 ${\Omega}{\cdot}cm$ and $3.4{\times}10^4$ g/mol, respectively. As compared with conventional membrane, the pattern of cyclic charge-discharge current of synthesized anion-exchange membrane indicated efficient electrosorption and desorption.

Monolayer Characteristics of Bilayer Forming Phosphate Amphiphiles (이분자막 형성능을 가지는 인산형 양친매성 화합물의 단분자막 특성)

  • ;Kunitake, T.
    • Membrane Journal
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    • v.5 no.2
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    • pp.89-96
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    • 1995
  • The monolayer characteristics of phosphate amphiphiles with azobenzene at air/water interface were studied by the measurment of $\pi-A$ curves and absorption spectra. Immediately after being spread on the water surface, these amphiphiles having strong intermolecular hydrogen bonding interactions showed the typical absorption spectra which resulted from domain formation. But the aggregated domains could be controlled by changing the subphase conditions (adding bulky salt and rasing pH). Addition of metal ions in subphase changes the molecular orientation of monolayer. As the metal ion charge increases ($1\leq2$ < 3 < 4 valence), the absorption maximum (310nm) of the amphiphile with azobenzene shifts to a longer wavelength (350nm) which means that the orientation of the amphiphile is tilted. These results suggest that the molecular orientation, and furthermore the aggregation state of monolayer can be possibly controlled by the interaction of metal ions with different charge types.

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Antibacterial Mode of Action of Cinnamomum verum Bark Essential Oil, Alone and in Combination with Piperacillin, Against a Multi-Drug-Resistant Escherichia coli Strain

  • Yap, Polly Soo Xi;Krishnan, Thiba;Chan, Kok-Gan;Lim, Swee Hua Erin
    • Journal of Microbiology and Biotechnology
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    • v.25 no.8
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    • pp.1299-1306
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    • 2015
  • This study aims to investigate the mechanism of action of the cinnamon bark essential oil (CB), when used singly and also in combination with piperacillin, for its antimicrobial and synergistic activity against beta-lactamase TEM-1 plasmid-conferred Escherichia coli J53 R1. Viable count of bacteria for this combination of essential oil and antibiotic showed a complete killing profile at 20 h and further confirmed its synergistic effect by reducing the bacteria cell numbers. Analysis on the stability of treated cultures for cell membrane permeability by CB when tested against sodium dodecyl sulfate revealed that the bacterial cell membrane was disrupted by the essential oil. Scanning electron microscopy observation and bacterial surface charge measurement also revealed that CB causes irreversible membrane damage and reduces the bacterial surface charge. In addition, bioluminescence expression of Escherichia coli [pSB1075] and E. coli [pSB401] by CB showed reduction, indicating the possibility of the presence of quorum sensing (QS) inhibitors. Gas-chromatography and mass spectrometry of the essential oil of Cinnamomum verum showed that trans-cinnamaldehyde (72.81%), benzyl alcohol (12.5%), and eugenol (6.57%) were the major components in the essential oil. From this study, CB has the potential to reverse E. coli J53 R1 resistance to piperacillin through two pathways; modification in the permeability of the outer membrane or bacterial QS inhibition.

Fragmentation Analysis of rIAPP Monomer, Dimer, and [MrIAPP + MhIAPP]5+ Using Collision-Induced Dissociation with Electrospray Ionization Mass Spectrometry

  • Kim, Jeongmo;Kim, Ho-Tae
    • Mass Spectrometry Letters
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    • v.12 no.4
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    • pp.179-185
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    • 2021
  • Collision-induced dissociation (CID) combined with electrospray ionization mass spectrometry (ESI-MS) was used to obtain structural information on rat islet amyloid polypeptide (rIAPP) monomers (M) and dimers (D) observed in the multiply charged state in the MS spectrum. MS/MS analysis indicated that the rIAPP monomers adopt distinct structures depending on the molecular ion charge state. Peptide bond dissociation between L27 and P28 was observed in the MS/MS spectra of rIAPP monomers, regardless of the monomer molecular ion charge state. MS/MS analysis of the dimers indicated that D5+ comprised M2+ and M3+ subunits, and that the peptide bond dissociation process between the L27 and P28 residues of the monomer subunit was also maintained. The observation of (M+ b27)4+ and (M+ y10)3+ fragment ions were deduced to originate from the two different D5+ complex geometries, the N-terminal and C-terminal interaction geometries, respectively. The fragmentation pattern of the [MrIAPP + MhIAPP]5+ MS/MS spectrum showed that the interaction occurred between the two N-terminal regions of MrIAPP and MhIAPP in the heterogeneous dimer (hetero-dimer) D5+ structure.

Synthesis and biological evaluation of tricarbonyl technetium labeled 2-(4-chloro)phenyl-imidazo[1,2-a]pyridine analog (99mTc-CB257) as a TSPO-binding ligand

  • Choi, Ji Young;Jung, Jae Ho;Song, In Ho;Moon, Byung Seok;Lee, Byung Chul;Kim, Sang Eun
    • Journal of Radiopharmaceuticals and Molecular Probes
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    • v.4 no.2
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    • pp.73-79
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    • 2018
  • In our previous study, tricarbonyl $^{99m}Tc$-labeled TSPO-binding ligand, named $^{99m}Tc$-CB256, having positively charge (+1) was investigated but did not show promising results in in vivo environment despite of a nanomolar binding affinity for TSPO. Because the overall positively charge of $^{99m}Tc$-CB256 would likely interrupt its target protein uptake, we herein designed the neutral tricarbonyl-$^{99m}Tc$ labeled TSPO-binding ligand ($^{99m}Tc$-CB257, 1). $^{99m}Tc$-CB257 was prepared by the facile incorporation of the $[^{99m}Tc(CO)_3]^+$ into a N-(hydroxycarbonylmethyl)-2-picoly moiety in CB257. The radiochemical yield of $^{99m}Tc$-CB257 after HPLC purification was $54.1{\pm}2.4%$ (decay corrected, n = 3). The authentic Re-CB257 (2) was synthesized by using $(NEt_4)_2[Re(CO)_3Br_3]$ in 69.0% yield. The binding affinity of 2 for TSPO was measured in leukocyte and showed approximately 280 times higher than that observed for the positively charged (+1) ligand, Re-CB256 ($K_i=0.57{\pm}0.06nM$ versus $159.3{\pm}8.7nM$, respectively). Our results indicated that 1 can be considered potentially as a new SPECT radiotracer for TSPO-rich cancer and provides the foundation for further in vivo evaluation related with abnormal TSPO-overexpression environments.