• Title/Summary/Keyword: Functional molecules

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Fabrication of Pre-Exfoliated Clay Masterbatch via Exfoliation-Adsorption of Polystyrene Nanobeads

  • Khvan, Svetlana;Kim, Jun-Kyung;Lee, Sang-Soo
    • Macromolecular Research
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    • v.15 no.1
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    • pp.51-58
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    • 2007
  • The approach studied in the present work produced an exfoliated state of clay layers via confinement of the charged nano-sized polystyrene (PS) beads within the gallery of swollen pristine clay. It was demonstrated that adsorption of the polymer nanobeads dramatically promotes expansion of the clay gallery. A comparative study of incorporation was conducted by employing organo-modified clay along with two different colloid polymer systems: electrostatically stabilized PS nanobeads and cationic monomer-grafted PS nanobeads. The mechanism of adsorption of the monomer-grafted polymer beads onto clay via cationic exchange between the alkyl ammonium group of the polymer nanobeads and the interlayer sodium cation of the layered silicate was verified by using several techniques. As distinct from the polymer nanobeads formed using conventional miniemulsion polymerization method, competitive adsorption of stabilizing surfactant molecules was be prevented by grafting the surface functional groups into the polymer chain, thereby supporting the observed effective adsorption of the polymer beads. The presence of surface functional groups that support the establishment of strong polymer-clay interactions was suggested to improve the compatibility of the clay with the polymer matrix and eventually play a crucial role in the performance of the final nanocomposites.

Functional Equivalence of Translation Factor elF5B from Candida albicans and Saccharomyces cerevisiae

  • Jun, Kyung Ok;Yang, Eun Ji;Lee, Byeong Jeong;Park, Jeong Ro;Lee, Joon H.;Choi, Sang Ki
    • Molecules and Cells
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    • v.25 no.2
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    • pp.172-177
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    • 2008
  • Eukaryotic translation initiation factor 5B (eIF5B) plays a role in recognition of the AUG codon in conjunction with translation factor eIF2, and promotes joining of the 60S ribosomal subunit. To see whether the eIF5B proteins of other organisms function in Saccharomyces cerevisiae, we cloned the corresponding genes from Oryza sativa, Arabidopsis thaliana, Aspergillus nidulans and Candida albican and expressed them under the control of the galactose-inducible GAL promoter in the $fun12{\Delta}$ strain of Saccharomyces cerevisiae. Expression of Candida albicans eIF5B complemented the slow-growth phenotype of the $fun12{\Delta}$ strain, but that of Aspergillus nidulance did not, despite the fact that its protein was expressed better than that of Candida albicans. The Arabidopsis thaliana protein was also not functional in Saccharomyces. These results reveal that the eIF5B in Candida albicans has a close functional relationship with that of Sacharomyces cerevisiae, as also shown by a phylogenetic analysis based on the amino acid sequences of the eIF5Bs.

Density Functional Theory Study of Silicon Chlorides for Atomic Layer Deposition of Silicon Nitride Thin Films

  • Yusup, Luchana L.;Woo, Sung-Joo;Park, Jae-Min;Lee, Won-Jun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.211.1-211.1
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    • 2014
  • Recently, the scaling of conventional planar NAND flash devices is facing its limits by decreasing numbers of electron stored in the floating gate and increasing difficulties in patterning. Three-dimensional vertical NAND devices have been proposed to overcome these issues. Atomic layer deposition (ALD) is the most promising method to deposit charge trap layer of vertical NAND devices, SiN, with excellent quality due to not only its self-limiting growth characteristics but also low process temperature. ALD of silicon nitride were studied using NH3 and silicon chloride precursors, such as SiCl4[1], SiH2Cl2[2], Si2Cl6[3], and Si3Cl8. However, the reaction mechanism of ALD silicon nitride process was rarely reported. In the present study, we used density functional theory (DFT) method to calculate the reaction of silicon chloride precursors with a silicon nitride surface. DFT is a quantum mechanical modeling method to investigate the electronic structure of many-body systems, in particular atoms, molecules, and the condensed phases. The bond dissociation energy of each precursor was calculated and compared with each other. The different reactivities of silicon chlorides precursors were discussed using the calculated results.

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Future Prospects and Health Benefits of Functional Ingredients from Marine Bio-resources: A review

  • Samarakoon, Kalpa W.;Elvitigala, Don Anushka Sandaruwan;Lakmal, H.H. Chaminda;Kim, Young-Mog;Jeon, You-Jin
    • Fisheries and Aquatic Sciences
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    • v.17 no.3
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    • pp.275-290
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    • 2014
  • The marine ecosystem represents a vast and dynamic array of bio-resources attributed with its huge diversity and considered as potential untapped reservoirs for the development of functional foods for future health markets. Basically, marine microorganisms, sponges, algae, invertebrates such as crustaceans and mollusks along with marine fish species can be considered as marine bio-resources, which can be utilized to obtain different health benefits for humans, directly or after processing. Most of the bio-molecular components, such as lipids and proteins from these marine bio-resources, which can be extracted in large scale using the modern and advanced biotechnological approaches, are suitable drug candidates for the pharmaceutical industry as well as functional food ingredients for the food industry. Moreover, the furtherance of high throughput molecular biological techniques has already been incorporated with identification, mining and extraction of molecular components from marine bio-resources. In this review, potential marine bio-resources with respect to their extractable bio-molecules were described in details, while explaining the present and prospective methods of identification and extraction, which are integrated with advanced techniques in modern biotechnology. In addition, this provides an overview of future trends in marine biotechnology.

The Adhesion Promotion of Glass Fiber Reinforced Composite Using Methacrylate Functional Silanes (메타아크릴레이트 실란을 이용한 유리섬유 강화복합재료의 물성향상)

  • Jang, Jyong-Sik
    • Applied Chemistry for Engineering
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    • v.1 no.2
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    • pp.133-139
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    • 1990
  • Methacrylate functional silanes with different methylene spacer groups have been synthesized and the orientation effect and absorption behavior of these silane coupling agent were investigated by Fourier transform infrared spectroscopy(FT-IR). The mechanical properties of glass bead/polyester composites are found to be dependent on the spacer group of treated silane coupling agent. The absorption rate of the silane coupling agent onto the fumed silica surface decreases with increasing the number of the methylene spacer in methacrylate functional silanes. Silane molecules containing long spacer groups are adsorbed onto silica slightly bowed with respect to the substrate surface. The relationship between silane molecular structure and mechanical properties of polymer composites is also investigated in order to improve hot/wet properties of glass fiber/polyester composites.

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Functional Diversity of Cysteine Residues in Proteins and Unique Features of Catalytic Redox-active Cysteines in Thiol Oxidoreductases

  • Fomenko, Dmitri E.;Marino, Stefano M.;Gladyshev, Vadim N.
    • Molecules and Cells
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    • v.26 no.3
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    • pp.228-235
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    • 2008
  • Thiol-dependent redox systems are involved in regulation of diverse biological processes, such as response to stress, signal transduction, and protein folding. The thiol-based redox control is provided by mechanistically similar, but structurally distinct families of enzymes known as thiol oxidoreductases. Many such enzymes have been characterized, but identities and functions of the entire sets of thiol oxidoreductases in organisms are not known. Extreme sequence and structural divergence makes identification of these proteins difficult. Thiol oxidoreductases contain a redox-active cysteine residue, or its functional analog selenocysteine, in their active sites. Here, we describe computational methods for in silico prediction of thiol oxidoreductases in nucleotide and protein sequence databases and identification of their redox-active cysteines. We discuss different functional categories of cysteine residues, describe methods for discrimination between catalytic and noncatalytic and between redox and non-redox cysteine residues and highlight unique properties of the redox-active cysteines based on evolutionary conservation, secondary and three-dimensional structures, and sporadic replacement of cysteines with catalytically superior selenocysteine residues.

Density Functional Theory Studies of Oxygen Affinity of Small Au Nanoparticles

  • Ha, Hyunwoo;Shin, Kihyun;Kim, Hyun You
    • Korean Journal of Materials Research
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    • v.27 no.4
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    • pp.229-235
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    • 2017
  • Through density functional theory calculations, to provide insight into the origins of the catalytic activity of Au nanoparticles (NPs) toward oxidation reactions, we have scrutinized the oxygen adsorption chemistry of 9 types of small unsupported Au NPs of around 1 nm in size (Au13, Au19, Au20, Au25, Au38, and Au55) looking at several factors (size, shape, and coordination number). We found that these NPs, except for the icosahedral Au13, do not strongly bind to $O_2$ molecules. Energetically most feasible $O_2$ adsorption that potentially provides high CO oxidation activity is observed in the icosahedral Au13, our smallest Au NP. In spite of the chemical inertness of bulk Au, the structural fluxionality of such very small Au NP enables strong $O_2$ adsorption. Our results can support recent experimental findings that the exceptional catalytic activity of Au NPs comes from very small Au species consisting of around 10 atoms each.

The Effect of Ions on Thermal Behaviors of Water in Poly(acrylic acid)/Water Mixtures (폴리아크릴산/$H_2O$ 혼합물에서 $H_2O$ 열적 거동에 미치는 이온의 영향)

  • Guan, Lan;Xu, Hongyan;Huang, Dinghai
    • Polymer(Korea)
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    • v.34 no.4
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    • pp.386-389
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    • 2010
  • Thermal behaviors of water in the poly(acrylic acid) (PAA)/water mixtures with 0.1 M NaCl, HCl, and NaOH were investigated by DSC. It showed that adding ions in the mixtures affected the crystallization of water evidently. Compared with the PAA/water mixtures, the $T_m$ of freezable bound water in the mixtures with ions moved to lower values and varied with different cations and anions, due to the stabilization or destabilization of the hydrogen-bonding hydration between polymers and water molecules through ionic hydration. The content of non-freezable bound water in the non-crystalline phase of the PAA/water mixtures with ions was not constant, it increased with total water content gradually, owing to the more binding sites created by ions. The ions could change the distribution of different states of water in the polymer aqueous solutions evidently.

Computational screening of electroactive indolequinone derivatives as high-performance active materials for aqueous redox flow batteries

  • Han, Young-Kyu;Jin, Chang-Soo
    • Current Applied Physics
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    • v.18 no.12
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    • pp.1507-1512
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    • 2018
  • The development of an organic-based aqueous redox flow battery (RFB) using quinone as an electroactive material has attracted great attention recently. This is because this battery is inexpensive, produces high energy density, and is environment friendly in stationary electrical energy storage applications. Herein, we investigate the redox potentials and solubilities of indole-5,6-quinone and indole-4,7-quinone derivatives in terms of the substituent effects of functional groups using theoretical calculations. Our results indicate that full-site substituted derivatives of indolequinone are more useful as active materials compared to single-site substituted derivatives. In particular, our calculations reveal that the substitution of $-PO_3H_2$ and $-SO_3H$ functional groups with multiple polar bonds is very effective in increasing the activity of the aqueous RFB. As a strategy to overcome the limitation that the aqueous solubility is intrinsically low because they are organic molecules, we suggest the substitution of functional groups with multiple polar bonds to the backbones of active organic materials. Among 180 indolequinone derivatives, 17 candidates that meet the redox potential standards ($${\leq_-}0.2V$$ or $${\geq_-}0.9V$$) and eight candidates with solubility exceeding 2 mol/L are identified. Three indolequinone derivatives that satisfy both conditions are finally presented as promising electroactive candidates for an aqueous RFB.

Efficient Adsorption of Methylene Blue from Aqueous Solution by Sulfuric Acid Activated Watermelone Rind (Citrullus lanatus)

  • Lee, Seo-Yun;Choi, Hee-Jeong
    • Applied Chemistry for Engineering
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    • v.32 no.3
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    • pp.348-356
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    • 2021
  • The lignocellulose-based dried watermelon rind (WR) was modified with sulfuric acid, namely SWR for enhancement of methylene blue (MB) adsorption from the aqueous solution. According to FT-IR analysis, after the modification of WR with sulfuric acid, the functional groups of R-SO3H, COOH and -OH groups was formated or enhanced on the surface of the WR. Moreover, the point of zero charge (pHpzc) was changed from 6.3 to 4.1 after modification, which widened the range for adsorbing of cationic dye MB. The adsorption process of MB onto the SWR was suitable for pseudo-2nd-order and Langmuir model and the maximum adsorption capacity of Langmuir was found to be 334.45 mg/g at pH 7. In adition, the adsorption process occurs through the electrostatic interaction, hydrogen bridge formation, electron donor-acceptor relationship, and 𝜋-𝜋 electron dispersing force between functional groups on the carbon surface with MB molecules. Depending on functional groups available on the SWR surface, the MB adsorption mechanism can occur in combination with various interactions.