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A Density Functional Theory Investigation on Intramolecular Hydrogen Transfer of the [Os3(CO)11P(OMe)3(Ru(η5-C5H5))2] Cluster

  • Buntem, Radchada;Punyain, Kraiwan;Tantirungrotechai, Yuthana;Raithby, Paul R.;Lewis, Jack
    • Bulletin of the Korean Chemical Society
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    • v.31 no.4
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    • pp.934-940
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    • 2010
  • The reduction of [$Os_3(CO)_{11}P(OMe)_3$] and subsequent ionic coupling of the reduced species with $[Ru({\eta}^5-C_5H_5)(CH_3CN)_3]^+$ resulted in the formation of [$Os_3(CO)_{11}P(OMe)_3(Ru({\eta}^5-C_5H_5))_2$] which can be converted to spiked tetrahedral cluster, [$HOs_3(CO)_{11}P(OMe)_3Ru_2({\eta}^5-C_5H_5)(C_5H_4)$] via the intramolecular hydrogen transfer. Due to the unavailability of a suitable single crystal, the PW91/SDD and LDA/SDD density functional methods were used to predict possible structures and the available spectroscopic information (IR, NMR) of [$Os_3(CO)_{11}P(OMe)_3(Ru({\eta}^5-C_5H_5))_2$]. The most probable geometry found by constrained search is the isomer (a2) in which the phosphite, $P(OMe)_3$, occupies an axial position on one of the two osmium atoms that is edge bridged by the $Ru(CO)_2({\eta}^5-C_5H_5)$ unit. By using the most probably geometry, the predicted infrared frequencies and $^1H$, $^{13}C$ and $^{31}P$ NMR chemical shifts of the compound are in the same range as the experimental values. For this type of complex, the LDA/SDD method is appropriate for IR predictions whereas the OPBE/IGLO-II method is appropriate for NMR predictions. The activation energy and reaction energy of the intramolecular hydrogen transfer coupled with the structural change of the transition metal framework were estimated at the PW91/SDD level to be 110.32 and -0.14 kcal/mol respectively.

Using Multimedia to Improve Listening Comprehension in the EFL Classroom

  • Park, Seung-Won
    • English Language & Literature Teaching
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    • v.8 no.2
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    • pp.105-115
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    • 2003
  • The four skills of a language are basically required for a communication. They are very important for a learner to develop the balanced language acquisition. Today both listening and speaking skills are emphasized in the global era rather than reading and writing proficiencies. The reason is really why the learners' communicative competence is more needed than the accurate knowledge of a structure in the language. For this reason, the listening comprehension should be taught effectively using the following strategies. First, the sound difference of a language must be taught. Language is a complicated process to convey the comprehensive meaning combined with the internal and external factors of a language. In other words, the meaning for the sound of language should be transmitted by the unit of vocabulary and syntax. Second, a good listening comprehension requires the familiarity and much experience with a lot of English words to understand English sentences unconsciously. Third, as understanding the structure of language is effective for the listening comprehension, the better listening comprehension can be possible through the meaningful exercise. Fourth, the compound process of listening comprehension requires the comprehensive understanding of language, but not the separate understanding of language. Fifth, the appropriate application of the multimedia courseware helps improve the listening comprehension better than that of the existing audio, video, tape recorder and so on. Using multimedia courseware is useful as follows: A learner is able to take as much lesson as he/she wants. It does take little time to repeat about what he/she takes a lesson. It gives the lively picture with the native speakers' voices. It gives him/her(a learner) a feedback effect continuously through the interaction of computer. It controls his/her lesson in accordance with the level of a learner.

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Realization of full magnetoelectric control at room temperature

  • Chun, Sae-Hwan;Chai, Yi-Sheng;Oh, Yoon-Seok;Kim, In-Gyu;Jeon, Byung-Gu;Kim, Han-Bit;Jeon, Byeong-Jo;Haam, S.Y.;Chung, Jae-Ho;Park, Jae-Hoon;Kim, Kee-Hoon
    • Proceedings of the Korean Magnestics Society Conference
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    • 2011.12a
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    • pp.101-101
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    • 2011
  • The control of magnetization by an electric field at room temperature remains as one of great challenges in materials science. Multiferroics, in which magnetism and ferroelectricity coexist and couple to each other, could be the most plausible candidate to realize this long-sought capability. While recent intensive research on the multiferroics has made significant progress in sensitive, magnetic control of electric polarization, the electrical control of magnetization, the converse effect, has been observed only in a limited range far below room temperature. Here we demonstrate at room temperature the control of both electric polarization by a magnetic field and magnetization by an electric field in a multiferroic hexaferrite. The electric polarization rapidly increases in a magnetic field as low as 5 mT and the magnetoelectric susceptibility reaches up to 3200 ps/m, the highest value in single phase materials. The magnetization is also modulated up to 0.34 mB per formula unit in an electric field of 1.14 MV/m. Furthermore, this compound allows nonvolatile, magnetoelectric reading- and writing-operations entirely at room temperature. Four different magnetic/electric field writing conditions generate repeatable, distinct M versus E curves without dissipation, offering an unprecedented opportunity for a multi-bit memory or a spintronic device applications.

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Crystal and Molecular Structure of Methyl 12-(3-bromophenyl)-9-[(4-methylbenzene)sulfonyl]-22-oxo-13,21-dioxa-9-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),3,5,7,15(20),16,18-heptaene-11-carboxylate

  • Kothandan, Gugan;Ganapathy, Jagadeesan;Damodharan, Kannan;Sanmargam, Aravindhan
    • Journal of Integrative Natural Science
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    • v.7 no.2
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    • pp.92-102
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    • 2014
  • The crystal structure of the title compounds with both coumarin and sulfonamide moieties were examined. These two groups have very special for their pharmaceutical and medicinal properties have been determined from single crystal X-ray diffraction data. In the title compound crystallizes in the monoclinic space group C2/c with unit cell dimension a = 28.633(3) ${\AA}$, b= 9.3215(7) ${\AA}$ and c= 24.590(2) ${\AA}$ [alpha & gamma=$90^{\circ}$ beta= $115.976(3)^{\circ}$]. In the structure The S1 atom shows a distorted tetrahedral geometry, with O1-S1-O2 [119.74 $(2)^{\circ}$] and N1-S1-C5 [$105.57(1)^{\circ}$] angles deviating from ideal tetrahedral values are attributed to the Thrope-Ingold effect. The sum of bond angles around N1 ($316.2(1)^{\circ}$) indicates that N1 is in sp2 hybridization. The Pyridine ring adopts boat conformation and pyran rings adopt a sofa conformation. The carboxylate group of atoms were disordered over two positions with site occupancy factors 0.598 (9):0.402 (9). Crystal structure and packing is stabilized by $C-H{\ldots}O$ intra and inter molecular hydrogen bond interactions.

New Azobenzene Crown p-tert-Butylcalix[4]arenes as Switchable Receptors for $Na^+ and K^+$ ions: Synthesis and Isomerization Studies

  • Bongkot Pipoosananakaton;Mongkol Sukwattanasinitt;Nongnuj Jaiboon;Narongsak Chaichit;Thawatchai Tuntulani
    • Bulletin of the Korean Chemical Society
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    • v.21 no.9
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    • pp.867-874
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    • 2000
  • Two new azobenzene crown ether calix[4]arenes, 10 and 11, were synthesized by two pathways. In the first pathway,two ethoxy nitrobenzene groups were attached to t-butylcalix[4]arenes in a 1,3 position. Subsequent reduction ofthe nitrobenzene group s by metallic zinc in an alkaline solution afforded 10 and 11 in8% and 12%,respectively. In the second pathway,an azobenzene containing two glycolic units was prepared prior connect-ing to t-butylcalix[4]arenes. The yields from the second approach (5%, 8% for 10 and 11, respectively) were lower than those from the former approach. Single crystals of 10 suitable for X-ray crystallography was ob-tained by recrystallization in methanol.Both the X-ray structure and the 1H-NMR spectrum of 10 indicated that the stereoisomer of the azobenzene moiety was trans and the calixarene platform was in cone conformation. 1H NMR spectroscopy suggested that 10 underwent an observable cis-trans isomerization in CDCl3 under room light and upon UV irradiation with cis:trans ratios of 33:67 and 36:64,respectively. Compound 6 which was the precursor of 11showed fluxional behavior and was found to have mixed conformations ofcone and partial cone with a ratio of 47:53 at -30 $^{\circ}C.$ 1H NMR spectrum of 11 suggested that 11 was initially isolated as cis azobenzene with calix[4]arene in cone conformation and underwent conformational interconversion through calix[4]arene annulas in a similar fashion to 6 upon exposing to light. The complexation studies of 10 with picrate salts of Na+ and K+ using 1H NMR spectroscopysuggested that Na+ preferred to bind the cis form of 10 while K+ preferred to bind the trans form. The stereoisomer of the azobenzene unit in 11 changed partially from cis to trans upon complexing with K+.

Bioactive Compound Produced by Endophytic Fungi Isolated From Pelargonium sidoides Against Selected Bacteria of Clinical Importance

  • Manganyi, Madira Coutlyne;Tchatchouang, Christ-Donald K.;Regnier, Thierry;Bezuidenhout, Cornelius Carlos;Ateba, Collins Njie
    • Mycobiology
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    • v.47 no.3
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    • pp.335-339
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    • 2019
  • Endophytic fungi have the ability to live inside the host plant tissues without causing neither symptoms of diseases/or harm. Opportunistic infections are accountable for majority of the outbreaks, thereby putting a burden on the health system. To investigate and characterize the bioactive compounds for the control of bacteria of clinical importance, extracts from endophytic fungi were isolated from indigenous South African medicinal plants. Extracts from endophytic fungi were isolated from 133 fungal strains and screened against Gram positive and negative bacteria namely Bacillus cereus, Escherichia coli, Enterococcus faecium, and E. gallinarum using disk diffusion. Furthermore, gas chromatography-mass spectrometry was performed to identify the bioactive compounds. Sixteen out of one hundred and thirty-three (12%) fungi extracts exhibited antibacterial properties against some of the selected bacteria. E. coli was found to be the most susceptible in contrast to E. faecium and E. gallinarum which were the most resistant. The isolate MHE 68, identified as Alternaria sp. displayed the greater spectrum of antibacterial activities by controlling selected clinical bacteria strains including resistant E. faecium and E. gallinarum. The chemical analysis of the extract from MHE 68 indicated that linoleic acid (9,12-octadecadienoic acid (Z,Z)) and cyclodecasiloxane could be accountable for the antibacterial activity. This is the first study conducted on the secondary metabolites produced by endophytic fungal strains isolated from the Pelargonium sidoides DC. possessing antibacterial properties.

Syntheses, X-ray Structures and Second Harmonic Generation Efficiencies of MAP (Methyl (2,4-dinitrophenyl)-aminopropanoate) Analogues

  • Lee Joo-Hee;Kim Kimoon;Kim Jong-Hyun;Kim Jong-Jean
    • Bulletin of the Korean Chemical Society
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    • v.13 no.3
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    • pp.268-274
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    • 1992
  • An attempt to improve the second harmonic generation (SHG) efficiency of MAP (methyl (2,4-dinitrophenyl)aminopropanoate) by modifying the substituents on the amino group of MAP is described. Several MAP analogues have been prepared using optically active amino acids alanine, phenylalanine and serine, and their SHG efficiencies measured. None of the MAP analogues exhibited SHG efficiencies as high as that of MAP. X-ray crystal structures of three MAP analogues have been determined. In the crystal structures of two of them, which were the derivatives of phenylalanine, two crystallographically-independent molecules existing in the asymmetric unit are aligned almost antiparallel. These structures are consistent with the very low SHG efficiencies of these compounds. On the other hand, the crystal structure of a serine derivative reveals substantial alignment of the dinitroaniline chromophore along the polar axis. However, the angle of 86.2° between the molecular charge tranfer axis and the polar axis of the crystal is still far away from the optimum value of 54.74° for the phase-matchable SHG. The structure is consistent with the SHG efficiency of this compound which is much higher than those of the phenylalanine derivatives but still lower than that of MAP. This study demonstrates the importance of the orientation of molecules in the crystal lattice in determining secod-order nonlinear optical properties of crystalline materials.

Preparation and Characterization of Ordered Perovskite (CaLa) (MgMo) $_6$

  • Choy, Jin-Ho;Hong, Seung-Tae;Suh, Hyeong-Mi
    • Bulletin of the Korean Chemical Society
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    • v.9 no.6
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    • pp.345-349
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    • 1988
  • The polycrystalline powder of (CaLa) (MgMo)$O_6$ has been prepared at $1350^{\circ}C$ in $H_2/H_2O$ and $N_2$ flowing atmosphere. The powder X-ray diffraction pattern indicates that (CaLa) (MgMo)$O_6$ has a monoclinic perovskite structure with the lattice constants $a_0=b_0=7.901(1){\AA}$, $c =7.875(1){\AA}\;and\;{\gamma}=89^{\circ}$16'(1'), which can be reduced to orthorhombic unit cell, a = 5.551(1) ${\AA}$, b = 5.622(1) ${\AA}$ and c = 7.875(1) ${\AA}$. The infrared spectrum shows two strong absorption bands with their maxima at 590($ν_3$) and 380($ν_4$) cm, which are attributed to $2T_{1u}$ modes indicating the existence of highly charged molybdenum octahedron $MoO_6$ in the crystal lattice. According to the magnetic susceptibility measurement, the compound follows the Curie-Weiss law below room temperature with the effective magnetic moment 1.83(1)$_{{\mu}B}$, which is well consistent with that of spin only value (1.73 $_{\mu}_B$) for $Mo^{5+}$ with $4d^1$-electronic configuration within the limit of experimental error. From the thermogravimetric analysis, it has been confirmed that (CaLa) (MgMo)$O_6$ decomposes gradually into $CaMoO_4,\;MoO_3,\;MgO,\;La_2O_3$ and unidentified phases due to the oxidation of $Mo^{5+}$ to $Mo^{6+}$.

Characterizing Residual Stress of Post-Heat Treated Ti/Al Cladding Materials Using Nanoindentation Test Method (나노압입시험법을 이용한 후열처리된 Ti/Al 클래딩재의 잔류 응력 평가)

  • Sang-Kyu Yoo;Ji-Won Kim;Myung-Hoon Oh;In-Chul Choi
    • Journal of the Korean Society for Heat Treatment
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    • v.36 no.2
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    • pp.61-68
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    • 2023
  • Ti and Ti alloys are used in the automobile and aerospace industries due to their high specific strength and excellent corrosion resistance. However their application is limited due to poor formability at room temperature and high unit cost. In order to overcome these issues, dissimilarly jointed materials, such as cladding materials, are widely investigated to utilize them in each industrial field because of an enhanced plasticity and relatively low cost. Among various dissimilar bonding processes, the rolled cladding process is widely used in Ti alloys, but has a disadvantage of low bonding strength. Although this problem can be solved through post-heat treatment, the mechanical properties at the bonded interface are deteriorated due to residual stress generated during post-heat treatment. Therefore, in this study, the microstructure change and residual stress trends at the interfaces of Ti/Al cladding materials were studied with increasing post-heat treatment temperature. As a result, compared to the as-rolled specimens, no difference in microstructure was observed in the specimens after postheat treatment at 300, 400, and 500℃. However, a new intermetallic compound layer was formed between Ti and Al when post-heat treatment was performed at a temperature of 600℃ or higher. Then, it was also confirmed that compressive residual stress with a large deviation was formed in Ti due to the difference in thermal expansion coefficient and modulus of elasticity between Ti Grade II and Al 1050.

Evaluation of Cell Based Anti-oxidation Assay of Functional Components Derived from Domestic Major Potato Varieties

  • Jung Hwan Nam;Su Young Hong;Su Jeong Kim;Hwang Bae Sohn;Yul Ho Kim;Kyung Tea Lee;Soo jin Park;Jae Kwon Lee
    • Proceedings of the Plant Resources Society of Korea Conference
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    • 2020.08a
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    • pp.75-75
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    • 2020
  • Potatoes were first introduced outside the Andes region four centuries ago, and have become an integral part of much of the world's food. Potatoes were first introduced into Europe in the 16th century and Korea in the early 19th century. Potatoes have a short growing season, high production per unit area, relatively strong environmental adaptability, and are cultivated in more than 130 countries around the world. It is the world's fourth-largest crop, following rice, wheat, bean and maize. In the nutritional aspects, potatoes contain abundant vitamins and minerals, as well as an assortment of phytochemicals such as carotenoids and natural phenols. Due to the high content of potato functional compounds, it has known that potatoes are effective in the prevention of various human diseases. In particular, the potato contains a large amount of polar compounds, including the saponin in the polar compounds, and the physiological activity of the saponins, such as immunity enhancement, antioxidant and anti-inflammatory is known. In this study, the antioxidative activity of polar compounds from five potatoes was examined by cell based anti-oxidation assay. The smallest amount of ROS(Reactive oxygen species) was generated when the compound was derived from 'Haryung' and 'hongyoung' and strong SOD(Superoxide dismutase) activity was observed in 'Sumi' and 'Jayoung'. The results of this study reveal the antioxidative effect of polar compounds extracted from various kind of potatoes, which will enable the acquisition of new bioactive candidates and the establishment of new profit generation models for farmers

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