• Title/Summary/Keyword: Novel chemical structure

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Syntheses, Structures and Luminescent Properties of Two Novel M(II)-Phen-SIP Supramolecular Compounds (M = Co, Ni)

  • Zhu, Yu-Lan;Shao, Shuai;Ma, Kui-Rong;Tang, Xue-Ling;Cao, Li;Zhao, Hui-Chao
    • Bulletin of the Korean Chemical Society
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    • v.33 no.4
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    • pp.1259-1263
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    • 2012
  • Two metal compounds, $[Co(phen)_2(H_2O)_2]{\cdot}2H_2SIP{\cdot}2H_2O$ 1 and $[Ni(phen)_3]{\cdot}2H_2SIP{\cdot}3H_2O$ 2, have been obtained by incorporating 1,10-phenanthroline (phen) and 5-sulfoisophthalic acid monosodium salt ($NaH_2SIP$) ligands under hydrothermal conditions. Meanwhile, the two compounds were characterized by element analysis, IR, XRD, TG-DTA and single-crystal X-ray diffraction. Both 1 and 2 present 3D supramolecular structures via O-H${\cdots}$O hydrogen bond interactions. Luminescent properties for 1 and 2 were also studied. The compound 1 has two fluorescence emission peaks centered at 398 nm attributed to the intraligand emission from the SIP ligand and at 438 nm assigned to the combined interaction of intraligand ${\pi}^*-{\pi}$ transitions of the phen ligand and ligand-to-metal-charge-transfer (LMCT) transitions (${\lambda}_{ex}$ = 233 nm). The compound 2 shows one emission band centered at 423 nm with a shoulder peak at 434 nm which may be originated from the intraligand ${\pi}^*-{\pi}$ transitions of the phen ligand (${\lambda}_{ex}$ = 266 nm).

Fabrication of the accelerometer using the nano-gap trench etching (나노갭 트렌치 공정을 이용한 가속도센서 제작)

  • Kim, Hyeon-Cheol;Kwon, Hee-jun
    • The Journal of Korea Institute of Information, Electronics, and Communication Technology
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    • v.9 no.2
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    • pp.155-161
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    • 2016
  • This paper proposes a novel fabrication method for a capacitive type micro-accelerometer with uniform nano-gap using photo-assisted electro-chemical etching. The sensitivity of the accelerometer should be improved while the electrodes between the inertial mass and the sensing comb should be narrowed. In this paper the nano-gap trench structure is fabricated using the photo-assisted electrochemical etching method. The sensor was designed and analysed using ANSYS simulator. The characteristics of the etching were observed according to the dc bias, the light intensity, the composition of the solution, the temperature of the solution, and the pattern pitch variation. The optimum etching conditions were dc bias of 2V, Blue LED of 20mA, 49wt% HF:DMF:D.I.Water=1:20:10, the pattern pitch of $20{\mu}m$. Uniform trench structure with width of 344nm and depth of $11.627{\mu}m$ are formed using the optimum condition.

Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains

  • John, Arun;Umashankar, Vetrivel;Krishnakumar, Subramanian;Deepa, Perinkulam Ravi
    • Genomics & Informatics
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    • v.13 no.1
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    • pp.15-24
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    • 2015
  • Fatty acid synthase (FASN, EC 2.3.1.85), is a multi-enzyme dimer complex that plays a critical role in lipogenesis. This lipogenic enzyme has gained importance beyond its physiological role due to its implications in several clinical conditions-cancers, obesity, and diabetes. This has made FASN an attractive pharmacological target. Here, we have attempted to predict the theoretical models for the human enoyl reductase (ER) and ${\beta}$-ketoacyl reductase (KR) domains based on the porcine FASN crystal structure, which was the structurally closest template available at the time of this study. Comparative modeling methods were used for studying the structure-function relationships. Different validation studies revealed the predicted structures to be highly plausible. The respective substrates of ER and KR domains-namely, trans-butenoyl and ${\beta}$-ketobutyryl-were computationally docked into active sites using Glide in order to understand the probable binding mode. The molecular dynamics simulations of the apo and holo states of ER and KR showed stable backbone root mean square deviation trajectories with minimal deviation. Ramachandran plot analysis showed 96.0% of residues in the most favorable region for ER and 90.3% for the KR domain, respectively. Thus, the predicted models yielded significant insights into the substrate binding modes of the ER and KR catalytic domains and will aid in identifying novel chemical inhibitors of human FASN that target these domains.

N'-[(2-Hydroxy-1-naphthyl)methylene]arylhydrazides as Potent HIF-2α Inhibitors (N'-[(2-Hydroxy-1-naphthyl)methylene]arylhydrazide 화합물의 HIF-2α 저해 활성)

  • Lee, Hyosung
    • Journal of the Korea Convergence Society
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    • v.13 no.1
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    • pp.161-166
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    • 2022
  • HIF-2α is a transcription factor activated mainly in hypoxic condition known to play crucial roles in a wide variety of pathophysiological events including cancer, metabolic syndrome, arthritis etc. In this context, a number of N'-aryl isonicotinolyhydrazides, in which known pharmacophores are included, have been selected from commercial chemical library and tested for the inhibitory activities targeting HIF-2α in cultured HTB94 cell. HRE-luciferase and HIF-2α were introduced into the cell by transfection and adenoviri infection, respectively and the reporter gene assay discovered the potency of 2-hydroxy-1-naphthyl structure. Accordingly, the scaffold has been adjusted based on this structure and subjected to anti-HIF-2α activity test, identifying 2 compounds as HIF-2α inhibitors. The activities were confirmed by false positive test. This study has been performed via the convergence of biology and chemistry and the results may be useful for discovering novel inhibitors and HIF-2α biology studies, and contribute to the development of therapeutic agents.

Synergistic Effect of Sulfonated Poly(Ether Ether Ketone)/Strontium Zirconate Perovskite Nanofiber-Based Novel Electrospun Composite Membranes for Fuel Cell Applications (연료전지용 술폰화된 폴리(이써 이써 케톤)/스트론튬 지르코네이트 페로브스카이트 나노섬유 기반 신규 전기방사 복합막의 시너지 효과)

  • SELVAKUMAR, KANAKARAJ;KIM, AE RHAN;YOO, DONG JIN
    • Journal of Hydrogen and New Energy
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    • v.33 no.2
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    • pp.164-175
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    • 2022
  • In this work, sulfonated poly (ether ether ketone) (SPEEK) composite membranes including strontium zirconate (SrZrO3) were fabricated by the electrospinning method. Fourier-transform infrared spectroscopic analysis and X-ray diffraction analysis were used to identify the chemical structure and the crystallinity of SrZrO3 and electrospun composite membranes. The thermal stability of the pure SPEEK and SPEEK/SrZrO3 electrospun composite membranes were investigated by using thermogravimetric analysis. The physicochemical properties and proton conductivity were enhanced with the addition of different weight ratio of SrZrO3 nanofiller (2, 4 and 6 wt%) in SPEEK polymer. The optimized SPEEK/SrZrO3-4 electrospun membrane containing 4 wt% of SrZrO3 showed a high proton conductivity compared to other electrospun SPEEK/SrZrO3 composite membranes. The results indicate that electrospun composite membranes incorporating these perovskite nanofillers should be explored as potential candidates for use in proton exchange membrane fuel cells.

Novel Sulfonated Poly(arylene ether sulfone) Composite Membranes Containing Tetraethyl Orthosilicate (TEOS) for PEMFC Applications (고분자 전해질형 연료전지를 위한 TEOS가 함유된 술폰화 폴리아릴렌에테르술폰 복합막의 제조 및 특성)

  • Lee, Keun-Kyu;Kim, Tae-Ho;Hwang, Taek-Sung;Hong, Young-Taik
    • Membrane Journal
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    • v.20 no.4
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    • pp.278-289
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    • 2010
  • A series of composite membranes based on sulfonated poly(arylene ether sulfone) (SPAES) were prepared via addition of tetraethyl orthosilicate (TEOS) and solution casting method. The morphological structure, water uptake, proton conductivity of the resulting composite membranes were extensively investigated as function of the content of TEOS. By the sol-gel reaction, TEOS molecules were not completely converted to $SiO_2$ particles, but formed only oligomer-type. Also, EDS confirms that the resulting silicon dioxide was homogeneously distributed in the composite membranes. As the content of TEOS increased, the prepared membranes increased water uptake and proton conductivity at high temperature and low relative humidity condition. In particular, considerably high proton conductivity (0.015 S/cm) at $120^{\circ}C$ and 48%RH was demonstrated in the composite membrane containing 200% TEOS, which is 10 times greater than that of unmodified SPAES membrane. Also, the composite membranes were found to have enhanced thermal stability compared to the unmodified membrane.

Molecular Docking Affinity Comparison of Curcumin and Nano-micelled Curcumin with Natural Sea Salt on Transthyretin (울금의 주요 성분인 커큐민과 나노 마이셀링 기법 적용 염화 커큐민의 트랜스타이레틴 활성 부위에 대한 결합 친화도 비교분석)

  • Kim, Dong-Chan;Song, Pyo
    • Journal of Life Science
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    • v.26 no.2
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    • pp.253-258
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    • 2016
  • In this study, nano-micelled curcumin was produced with natural sea salt with a view to comparing the in silico molecular binding affinity of pure curcumin compound to the active site of transthyretin. Using an optical light microscope and an electron microscope, it was found that the structure of the surface and the cross-section of nano-micelled curcumin was significantly different from natural sea salt. In particular, the crystal structure and nano-components in the nano-micelled curcumin were united, and the layer was more strongly stabilized than untreated salts. In the virtual 3D structure, in silico molecular docking study, the ligand binding affinity of nano-micelled curcumin to the transthyretin active site was found to be higher than that of pure curcumin. In addition, a nano-micelled curcumin formula interacted with more amino acid residues of transthyretin domains. The pharmacophore feature of the nano-micelled curcumin also showed more condensed and constrained features than normal curcumin. These results suggest that nano-micelled curcumin may effectively bind to and stabilize transthyretin, thereby regulating transthyretin-related physiological diseases. Collectively, the nano-micelled curcumin process suggests that normal curcumin can be modified more efficiently into the novel bio-functional chemical formula to stabilize the transthyretin structure. Therefore, the nano-micelled curcumin process can be applied to the field of the regulation of Alzheimer's disease.

Understanding the Protox Inhibition Activity of Novel 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene Derivatives Using Holographic Quantitative Structure-Activity Relationship (HQSAR) Methodology (홀로그램(H) QSAR 방법에 따른 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene 유도체들의 Protox 저해 활성에 관한 이해)

  • Song, Jong-Hwan;Park, Kyeng-Yong;Sung, Nack-Do
    • Applied Biological Chemistry
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    • v.47 no.3
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    • pp.351-356
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    • 2004
  • Holographic quantitative structure activity relationships (HQSAR) as 2D QSAR between the herbicidal activities against root and shoot of rice plant (Orysa sativa L.) and barnyardgrass (Echinochloa crus-galli), and structures of A=3,4,5,6-tetra-hydrophthalimino, B = 3-chloro-4,5,6,7-tetrahydro-2H-indazolyl and C = 3,4-dimethylmaleimino substituents in 1-(5-methyl-3-phenylisoxazolin-5-yl)methoxy-2-chloro-4-fluorobenzene derivatives were studied and discussed. The statistical results of four HQSAR models for the herbicidal activities against root and shoot of the two plants showed the best predictability of the herbicidal activities based on the cross-validated $r^2\;_{cv}\;(q^2=\;0.760{\sim}0.924)$, non cross-validated conventional coefficient $(r^2\;_{ncv}\;=\;0.868{\sim}0.970)$ and PRESS values $(0.123{\sim}0.261)$. The results indicated that the qualities of HQSAR models for barnyardgrass were slightly higher than that of rice plant. And also, the predictability of HQSAR models were higher $(q^2\;=\;HQSAR\;>\;CoMFA)$ than CoMFA but the conventional coefficients of HQSAR models lower $(r^2\;=\;HQSAR\;<\;CoMFA)$ than CoMFA. Moreover, from the contribution maps, it was founded that the selectivity between the two plants depends upon the 2-fluoro-4-chloro-5-alkoxyanilino and $R_3$ substituent on the C-phenyl ring. These features suggest where to modify a molecular structure in order to improve its selective of herbicidal activities against barnyardgrass.

The Effect of Inhibitors on the Electrochemical Deposition of Copper Through-silicon Via and its CMP Process Optimization

  • Lin, Paul-Chang;Xu, Jin-Hai;Lu, Hong-Liang;Zhang, David Wei;Li, Pei
    • JSTS:Journal of Semiconductor Technology and Science
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    • v.17 no.3
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    • pp.319-325
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    • 2017
  • Through silicon via (TSV) technology is extensively used in 3D IC integrations. The special structure of the TSV is realized by CMP (Chemically Mechanical Polishing) process with a high Cu removal rate and, low dishing, yielding fine topography without defects. In this study, we investigated the electrochemical behavior of copper slurries with various inhibitors in the Cu CMP process for advanced TSV applications. One of the slurries was carried out for the most promising process with a high removal rate (${\sim}18000{\AA}/Min$ @ 3 psi) and low dishing (${\sim}800{\AA}$), providing good microstructure. The effects of pH value and $H_2O_2$ concentration on the slurry corrosion potential and Cu static etching rate (SER) were also examined. The slurry formula with a pH of 6 and 2% $H_2O_2$, hadthe lowest SER (${\sim}75{\AA}/Min$) and was the best for TSV CMP. A novel Cu TSV CMP process was developed with two CMPs and an additional annealing step after some of the bulk Cu had been removed, effectively improving the condition of the TSV Cu surface and preventing the formation of crack defects by variations in wafer stress during TSV process integration.

Physical, Chemical Properties and Structural Changes of Zaodan Pickled by Vacuum Decompression Technology

  • Sun, Naxin;Liu, Huiping;Zhang, Xiaowei;Wang, Hongni;Liu, Shaojuan;Chen, Pei;Yu, Weijie;Liu, Kai
    • Food Science of Animal Resources
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    • v.38 no.2
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    • pp.291-301
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    • 2018
  • To shorten the production cycle of Zaodan, this study first pickled Zaodan by a novel technology - vacuum decompression technology. Vacuum decompression technology could reduce the pickling time of Zaodan from 20 wk to about 9 wk. The protein content, moisture and pH of the Zaodan egg white gradually decreased with a concomitant increase in salt during the pickling process. The total sulfhydryl group (SH) group content of the egg white proteins was increased to $2.43{\times}10^{-3}mol/L$ after being pickled for 30 d, whereas the content of disulphide bonds (SS) was reduced to $23.35{\times}10^{-3}mol/L$. The surface hydrophobicity was lowest after pickling for 30 d. In addition, great changes occurred in the secondary structure of the egg white proteins after pickling for 20 d. The disappearance of ovomucin was noticeable based on sodium dodecyl sulfate-polyacrylamide gel electrophoresis analysis.