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Transmission of Substituent Effects through 5-Membered Heteroaromatic Rings

  • Lee, Ik Hun;Ri, Sun Gi;Kim, Chang Gon;Jeong, Dong Su;Kim, Chan Gyeong
    • Bulletin of the Korean Chemical Society
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    • v.21 no.9
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    • pp.882-890
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    • 2000
  • Ab initio calculations are carried out on protonation equilibria of 5-memberedheteroaromatic aldehydes (5MHAs;heteroatom Y = NH, O, PH,and S and substituentZ = NH2, OCH3, SCH3, CH3, H, Cl, CHO, CN,NO2) at the $MP2}6-31G*$ level. Naturalbond orbital (NBO) analyses show that the optimal localized natural Lewis structures of the protonated aldehydes,(P), are ortho (C3) protonated (for Y = O, PH and S) and N-pro-tonated (for Y = NH) forms in contrast to the standard structural Lewis formula for aldehydes, (R). The delo-calizability of ${\pilone}-pairon$ the heteroatom $(n{\pi}(Y))$ is in the order Y = NH > O > S > PH. The transmission efficiency of (Z) substituent effects to the carbonyl moiety run parallel to the delocalizability of $n{\pi}(Y)$ for R,but is dominantly influenced by the cationic charge on $C{\alpha}(C{\alpha}+)$ for P, which is in the reverse order of thede-localizability of $n{\pi}(Y).$ The Hammett ${\rho}values$ for variation of Z in the protonation are determined by the dif-ference in the transmission efficiencies between Pand R stateat simple interpretation of their magnitude is not warranted. However,the magnitude of the gas-phase ${\rho}z+$ values decreases as the level ofcomputation is raised from RHF/3-21G* to RHF/6-31G* and to $MP2}6-31G*$ but increases again at the MP4SDQ/6-31G* level. Further decrease occurs when solvent effect (water) is accounted for by the SCRF method. Comparison of the SCRF ${\rho}z+values$ with those determined in the aqueous acid solution for Y = S and CHCH shows inadequacy of accounting for the solvent effects on the ${\rho}values$ by a continuum model. It is noteworthy that semiempirical calculations, especially theAM1 method, give even lower magnitude of the gas-phase ${\rho}values.

Development of The M-PHY AFE Block Using Universal Components (범용 부품을 이용한 M-PHY AFE Block 개발)

  • Choi, Byung Sun;Oh, Ho Hyung
    • Journal of the Semiconductor & Display Technology
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    • v.14 no.2
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    • pp.67-72
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    • 2015
  • For the development of UFS device test system, M-PHY specifications should be matched with MIPI-standard which is analog signal protocol. In this paper, the implementation methodology and hardware structure for the M-PHY AFE (Analog Front End) Block was suggested that it can be implemented using universal components without ASIC process. The testing procedure has a jitter problem so to solve the problems we using ASIC process, normally but the ASIC process needs a lot of developing cost making the UFS device test system. In is paper, the suggestion was verified by the output signal which was compared to the MIPI-standard on the Prototype-board using universal components. The board was reduced the jitter on the condition of HS-TX and 5.824 Gbps Mode in SerDes (Serialize-deserializer). Finally, the suggestion and developed AFE block have a useful better than ASIC process on developing costs of the industrial UFS device test system.

A Study on the OpenURL META-TAG of Observation Research Data for Metadata Interoperability (관측분야 과학데이터 관련 메타데이터 상호운용성 확보를 위한 OpenURL 메타태그 연구)

  • Kim, Sun-Tae;Lee, Tae-Young
    • Journal of Information Management
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    • v.42 no.3
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    • pp.147-165
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    • 2011
  • This paper presents a core meta-tag of OpenURL written in Key/Encoded-Value format in the field of observation research, to distribute the scientific data, produced in many experimentations and observations, on the OpenURL service architecture. So far, the OpenURL hasn't supplied a meta-tag represented scientific data because it has focused on circulation of scholarly and technological information extracted from thesis, proceedings, journals, literatures, etc. The DataCite consortium metadata were analyzed and compared with the Dublin Core metadata, OECD metadata, and Directory Interchange Format metadata to develop a core meta-tag in observation research.

Evaluation of Factors Associated with Healthe and Diet of Preschool Children by Nutritional Status (영양상태에 따른 학령전 아동의 건강 및 식생활 요인평가)

  • 문현경;박송이;백희영
    • Journal of the Korean Society of Food Science and Nutrition
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    • v.28 no.3
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    • pp.722-731
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    • 1999
  • The purpose of this study is to analyze the factors associated with health and diet by nutritional status. The subjects were the children aged 2 to 6. Physicians and nurses measured children's anthropometries and examined their blood and urine. Interviewers questioned children's food habits to their mothers. 24 hour recall was done for children with their mother. The nutritional status was classified to 'underweight', 'normal weight' and 'overweight' by weight for height(median±1 S.D.) of the reference population. The number of subjects in each group(under, normal, over) was 25, 130 and 49. Factors including anthropometry and hemoglobin concentration were not significantly dif ferent by the nutritional status. The birth weight of children was correlated positively to mothers' BMI. Z scores of weight for height were related to the birth weight positively by the analysis of variance. The children of the underweight group used nutritional supplements more frequently than those of normal and overweight group. The nutrient intakes of normal weight group were higher than those of low and overweight group. Particularly, the intakes of energy, carbohydrate and calcium were significantly high among the groups. In terms of number of foods, food groups and dishes consumed per day, the children of the normal weight group ate more diversely than other groups but the differences were not significant. In conclusion, the children of normal weight group had similar characteristics with other groups but had more desirable dietary intakes than other groups in this study. Because the diet of children may be different by the nutritional status, nutrition education for children should be conducted according to the characteristics of each group's diet.

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