• Title/Summary/Keyword: in-group bonds

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Variation in IR and Raman Spectra of CD3CN upon Solvation of InCl3 in CD3CN: Distinctive Blue Shifts, Coordination Number, Donor-Acceptor Interaction, and Solvated Species

  • Cho, Jun-Sung;Cho, Han-Gook
    • Bulletin of the Korean Chemical Society
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    • v.30 no.4
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    • pp.803-809
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    • 2009
  • Notable blue shifts of the ν2 $C{\equiv}N$ stretching, $_{v4}$ C-C stretching and $_{v8}$ CCN deformation bands of $CD_3CN$ are observed upon solvation of $InCl_3$, resulting from the donor-acceptor interaction. The Raman spectrum in the $_{v2}$ region shows further details; at least two new bands emerge on the blue side of the $_{v2}$ band of free $CD_3CN$, whose relative intensities vary with concentration, suggesting that there exist at least two different cationic species in the solution. The strong hydrogen bonds formed between the methyl group and ${InCl_4}^-$ result in a large band appearing on the red side of the ν1 $CD_3$ symmetric stretching band. The solvation number of $InCl_3$, determined from the Raman intensities of the $C{\equiv}N$ stretching bands for free and coordinated $CD_3CN$, increases from $\sim$1.5 to $\sim$1.8 with decreasing concentration.

Genetic Diversity and Characterization of DPE1 Gene in Rice Germplasm

  • Aueangporn Somsri;Yong-Jin Park
    • Proceedings of the Korean Society of Crop Science Conference
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    • 2022.10a
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    • pp.220-220
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    • 2022
  • Disproportionating Enzyme 1 (DPE1) is an a-1,4-D-glucanotransferase that cleavages the a-1,4-glucosidic bonds and transfers glucosyl groups. In rice endosperm, it participates in starch synthesis by transferring maltooligosyl groups from amylose and amylopectin to amylopectin. Here, we investigated the haplotype variations and evolutionary indices (e.g., genetic diversity and population structure) for the DPE1 gene in 374 rice accessions representing seven subgroups (wild, indica, temperate japonica, tropical japonica, aus, aromatic, and admixture). Variant calling analysis of DPE1 coding regions leads to the identification of six functional haplotypes representing/occupying 8 nonsynonymous SNPs. Nucleotide diversity analysis revealed the highest pi-value in wild group (0.0556) compared to other cultivated groups, of which temperate japonica showed the most reduction of genetic diversity value (0.003). A significant positive Tajima's D value (1.6330) of admixture highlights sudden population contraction under balancing selection, while temperate japonica with the lowest Tajima's D value (-1.3523) showed a selection signature of DPE1 domestication which might be the cause of excess of rare alleles. Moreover, these two subpopulations exhibits a greater differentiation (FST=0.0148), indicating a higher genetic diversity. Our findings on functional DPE1 haplotypes will be useful in future breeding programs, and the evolutionary indices can also be applicable in functional studies of the DPE1 gene.

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A Study on the Sulfonation of Persimmon Tannin (감타닌의 술폰화에 관한 연구)

  • Kwon, Seul Gi;Bae, Do Gyu
    • Textile Coloration and Finishing
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    • v.29 no.2
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    • pp.69-76
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    • 2017
  • To get the proper treatment conditions, sulfonation reactions of persimmon tannin with sodium sulfite and sulfuric acid were proceeded in various settings, respectively. Also, the property changes were investigated by carrying out the additional analysis: elementary analysis and instrumental analysis using FT-IR, DSC, and TGA. The degree of $-SO_3Na$ substitutions appeared 0.216 and 0.208 under the treatment time of 3 hours and 6 hours, respectively and the degree of $-SO_3H$ substitutions indicated 0.200 and 0.167 under 9 hours and 18 hours, respectively by elemental analysis. In terms of the FT-IR spectras, there was a peak based on the bonds of pyran ring and ether in relation to non-treated and sulphonated tannin at $1,102cm^{-1}$. No peak was shown in the sulfited tannin. An absorption peak which was due to the $C{\rightarrow}O$ of secondary -OH group became evident in nontreated and sulfited tannin at $1,092cm^{-1}$ and $1,090cm^{-1}$, respectively but the same result was not found in sulphonated tannin. The results of TGA analysis of the sulfonated persimmon tannin showed that the sulfonation of it improved thermal properties.

Molecular Characterization of a Bombyx mori Protein Disulfide Isomerase(bPDI) (누에 배양세포로부터 분리한 Protein Disulfide Isomerase 유전자의 발현 특성)

  • 구태원;윤은영;황재삼;강석우;권오유
    • Journal of Life Science
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    • v.11 no.5
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    • pp.415-422
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    • 2001
  • Many secreted proteins have disulfide bonds that are important for their structure and function. Protein disulfide isomerase (PDI, EC 5.3.1.4.), an enzyme that catalyzes the formation and rearrangement of thiol/disulfide exchange reactions, is a resident of the endoplasmic reticulum (ER). The subcellular localization and its function as catalyst of disulfide bond formation in the biosynthesis of secretory and cell membrane proteins suggest that PDI plays a key role in the secretory pathway. We have isolated a cDNA encoding protein disulfide isomerase from Bombyx mori(bPDI). It has been characterized under ER stress conditions (dominantly induced by calcium ionophore A23187, tunicamycin and DTT), which is known to cause an accumulation of unfolded proteins in the ER. Furthermore, It has also been examined for tissue distribution(pronounced at the fat body), hormonal regulation (juvenile hormone, insulin and juvenile +transferrin; however, it is not effected by transferrin alone), and the effect of exogenous bacteria (peak at 16 h after infection) on the bPDI mRNA expression. The results suggest that bPDI is a member of the ER stress protein group, and it may play an important role in exogenous bacterial infection in fat body, and that homones regulate its expression.

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Preparation and Surface-Active Properties of Vinyl Acetate Cotelomers (I) (비닐아세테이트 코텔로머의 제조 및 계면활성(I))

  • Lee, Eon-Pil;Kang, Se-Mi;Hwang, Dae-Youn;Jung, Young-Jin;Choi, Hae-Wook;Choi, Young-Ho;Lee, Jae-Ho
    • Fashion & Textile Research Journal
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    • v.14 no.4
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    • pp.677-683
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    • 2012
  • 1-octanethiol and vinyl acetate telomers ($R_8S$-nVAc) were synthesized and hydrolyzed with sodium hydroxide subsequently, 1.2-epoxyhexane was then introduced to the telomers. In addition, we prepared cotelomers of multi-alkylated nonionic surfactants with a molecular structure of xRnMA-yVA (x; hydrophobic group, y; hydrophilic group, MA; methacrylic ester, VA; vinyl alcohol, R; and alkyl group) and cross-linked with sodium tetraborate decahydrate. Their active surface properties were investigated by several techniques such as surface tension, foaming property, and emulsification power measurements. The surface tension of $R_8S$-8.8VA decreased without the introduction of 1.2-Epoxy hexane, and the degree of emulsification and foaming abilities of $R_8S$-8.8VA increased without the introduction of 1.2-Epoxy hexane. However, the differences were insignificant. The epoxy groups were attached to a $R_8S$-8.8VA cotelomer with a limited variation of the active surface properties. The surface tension of $1.1R_6MA$-8.8VA decreased after cross-linking subsequently, the degree of emulsification and foaming abilities of $1.1R_6MA$-8.8VA increased after cross-linking. However, there was no clear difference between them. The B-O bonds were attached to a $1.1R_6MA$-8.8VA cotelomer with a limited variation of the active surface properties.

Carbon rich fly ash and their nanostructures

  • Salah, Numan;Habib, Sami S.;Khan, Zishan H.;Alshahrie, Ahmed;Memic, Adnan;Al-ghamdi, Attieh A.
    • Carbon letters
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    • v.19
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    • pp.23-31
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    • 2016
  • Carbon rich fly ash was recently reported to have compositions that are ideal for use as a precursor and catalyst for carbon nanotube growth. This fly ash powder is mostly composed of pure carbon, predominantly present as sp2. In this work, the effect of sonication time on the morphology and structural properties of carbon rich fly ash particles is reported. The obtained results show that ultrasound treatment is an effective tool for producing ultrafine particles/fragments with higher porosity, which might be suitable for the adsorption of gasses. Moreover, carbon nanoparticles (CNPs) of this fly ash were produced in parallel using the ball milling technique, and were evaluated as reinforcements for epoxy based composites. These CNPs have almost spherical shapes with particle sizes of around 30 nm. They were found to have strong C=O carbonyl group bonds, which might be generated during the ball milling process. The tensile testing results of a fly ash CNP reinforced epoxy composite showed significant improvements in the mechanical properties, mainly in the stiffness of the polymer. The stiffness value was increased by around 23% of that of neat epoxy. These CNPs with chemically active groups might also be useful for other applications.

Kinetics and Mechanism of the Addition of Benzylamines to Ethyl-α-cyanocinnamates in Acetonitrile

  • Oh, Hyuck-Keun;Yang, Jin-Hee;Hwang, Young-Hee;Lee, Hai-Whang;Lee, Ik-Choon
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.221-224
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    • 2002
  • Nucleophilic addition reactions of benzylamines (BA; $XC_6H_4CH_2NH_2$) to ethyl-${\alpha}$-cyanocinnamates (ECC;$YC_6H_4CH$=C(CN)COOEt) have been investigated in acetonitrile at $30.0^{\circ}C$. The rate is first order with respect to BA and ECC. The rate is slower than that expected from the additive effect of ${\sigma}^-$ or $R^-$ for the activating groups (CN and COOEt). Natural. bond orbital ${\pi}^{\ast}_{c=c}$ calculations show that the contribution of COOEt group may not be fully effective despite the coplanar molecular structure. The selectivity parameters including the cross-interaction constant (${\rho}_{xy}$ = -0.22) indicate that the addition occurs in a single step. The kinetic isotope effects ($k_H/k_D$=2.5-2.8) involving deuterated BA ($XC_6H_4CH_2ND_2$) nucleophiles and activation parameters (${\Delta}H^{\neq}=4{\sim}6\;kcal\;mol^{-1};{\Delta}S^{\neq}=-45{\sim}-52\;e.u.$) suggest a cyclic transition state in which N-$C_{\alpha}$ and H-$C_{\beta}$ bonds are formed concurrently.

Electrical characteristics of carbon nitride capacitor for micro-humidity sensors (마이크로 습도센서를 위한 질화탄소막 캐패시터의 전기적 특성)

  • Kim, Sung-Yeop;Lee, Ji-Gong;Chang, Choong-Won;Lee, Sung-Pil
    • Journal of Sensor Science and Technology
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    • v.16 no.2
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    • pp.97-103
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    • 2007
  • Crystallized carbon nitride film that has many stable physical and/or chemical properties has been expected potentially by a new electrical material. However, one of the most significant problems degrading the quality of carbon nitride films is an existence of N-H and C-H bonds from the deposition environment. The possibility of these reactions with hydroxyl group in carbon nitride films, caused by a hydrogen attack, was suggested and proved in our previous reports that this undesired effect could be applied for fabricating micro-humidity sensors. In this study, MIS capacitor and MIM capacitor with $5{\mu}m{\times}5{\mu}m$ meshes were fabricated. As an insulator, carbon nitride film was deposited on a $Si_{3}N_{4}/SiO_{2}/Si$ substrate using reactive magnetron sputtering system, and its dielectric constant, C-V characteristics and humidity sensing properties were investigated. The fabricated humidity sensors showed a linearity in the humidity range of 0 %RH to 80 %RH. These results reveal that MIS and MIM $CN_{X}$ capacitive humidity sensors can be used for Si based micro-humidity sensors.

Partially Dehydrated Fully Zn2+-exchanged Zeolite Y (FAU, Si/Al = 1.70) and Its Structure

  • Seo, Sung Man;Kim, Young Hun;Lee, Seok Hee;Lim, Woo Taik
    • Korean Journal of Soil Science and Fertilizer
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    • v.46 no.2
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    • pp.87-91
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    • 2013
  • The crystal structure of partially dehydrated fully $Zn^{2+}$-exchanged zeolite Y was determined by X-ray diffraction techniques in the cubic space group $Fd\bar{3}m$ at 294(1) K and refined to the final error indices $R_1/wR_2$ = 0.035/0.119 for $|Zn_{35.5}(H_2O)_{13}|[Si_{121}Al_{71}O_{384}]$-FAU. About 35.5 $Zn^{2+}$ ions per unit cell are found at six distinct positions; sites I, I', a second I', II', II, and a second II. In sodalite cavities, the 11 water molecules coordinate to Zn(I'b) and/or Zn(II') ions; each of two $H_2O$ bonds to a Zn(IIb) in supercages. Two different $Zn^{2+}$ positions near 6-oxygen ring are due to their Si-Al ordering in tetrahedral site by Si/Al ratio leading to the different kinds of 6-rings.

Theoretical Studies on the Gas-Phase Pyrolysis of Esters The effect of ${\alpha}$- and ${\beta}$-methylation of Ethyl Formates

  • Ikchoon Lee;Ok Ja Cha;Bon-Su Lee
    • Bulletin of the Korean Chemical Society
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    • v.11 no.1
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    • pp.49-54
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    • 1990
  • The gas-phase thermolysis reactions of ${\alpha}$- and ${\beta}$-methylated ethyl formates, Y = $CH-X-CHR_1CH_2R_2$ where X = Y = O or S and $R_1\;=\;R_2$ = H or $CH_3$, are investigated theoretically using the AM1 method. The experimental reactivity order is reproduced correctly by AM1 in all cases. The thermolysis proceeds through a six-membered cyclic transition state conforming to a retro-ene reaction, which can be conveniently interpreted using the frontier orbital theory of three-species interactions. The methyl group substituted at $C_{\alpha}\;or\;C_{\beta}$ is shown to elevate the ${\pi}$-HOMO of the donor fragment (Y = C) and depress the ${\sigma}^{\ast}$-LUMO of the acceptor fragment ($C_{\beta}$-H), increasing the nucleophilicity of Y toward ${\beta}$-hydrogen which in turn increases the reactivity. The two bond breaking processes of the $C_{\alpha}$-X and $C_{\beta}$-H bonds are concerted but not synchronous so that the reaction takes place in two stages as Taylor suggested. The initial cleavage of $C_{\alpha}$-X is of little importance but the subsequent scission of $C_{\beta}$-H occurs in a rate determining stage.