• Title/Summary/Keyword: functional transfer

Search Result 564, Processing Time 0.03 seconds

Effects of Amino Substitution on the Excited State Hydrogen Transfer in Phenol: A TDDFT Study

  • Kim, Sang-Su;Kim, Min-Ho;Kang, Hyuk
    • Bulletin of the Korean Chemical Society
    • /
    • v.30 no.7
    • /
    • pp.1481-1484
    • /
    • 2009
  • When isolated phenol or a small phenol-solvent cluster is excited to the $S_1\;state\;of\;{\pi}{\pi}^*$ character, the hydrogen atom of the hydroxyl group dissociates via a ${\pi}{\sigma}^*$ state that is repulsive along the O-H bond. We computationally investigated the substitution effects of an amino group on the excited state hydrogen transfer reaction of phenol. The time-dependent density functional theory (TDDFT) with B3LYP functional was employed to calculate the potential energy profiles of the ${\pi}{\pi}^*$ and the ${\pi}{\sigma}^*$ excited states along the O-H coordinate, together with the orbital shape at each point, as the position of the substituent was varied. It was found that the amino substitution has an effect of lowering the ${\pi}{\sigma}^*$ state and enhancing the excited state hydrogen transfer reaction.

Photochemical Approach to the Preparation of Lariat Crown Ethers Containing Peptide Sidearms

  • Cho, Dae-Won;Quan, Chunsheng;Park, Hea-Jung;Yoon, Ung-Chan;Mariano, Patrick S.
    • Bulletin of the Korean Chemical Society
    • /
    • v.32 no.2
    • /
    • pp.503-509
    • /
    • 2011
  • New types of lariat type crown ethers containing peptide sidearms were prepared by using a novel strategy employing single electron transfer (SET)-induced photocyclization reactions of $\alpha$-silylether terminated phthalimides. Reactions of chiral substrates in this series produced diastereomeric mixtures of crown ether products as a result of the formation of new stereogenic center generation in the photocyclization process.

Quad-functional Built-in Test Circuit for DRAM-frame-memory Embedded SOG-LCD

  • Takatori, Kenichi;Haga, Hiroshi;Nonaka, Yoshihiro;Asada, Hideki
    • 한국정보디스플레이학회:학술대회논문집
    • /
    • 2008.10a
    • /
    • pp.914-917
    • /
    • 2008
  • A quad-functional built-in test circuit has been developed for DRAM-frame-memory embedded SOG-LCDs. The quad function consists of memory test, display test, serial transfer test, and parallel transfer test which is the normal operation mode for our SOG-LCD. Results of memory and display tests are shown.

  • PDF

Design of ATM Networks to transfer for Electric Power System Informations (전력정보 전달을 위한 ATM 망 설계)

  • Jeong, Young-Kyeung;Kim, Han-Kyeung
    • Proceedings of the KIEE Conference
    • /
    • 1998.11b
    • /
    • pp.572-574
    • /
    • 1998
  • In this paper, we are proposed design of ATM networks to transfer for electric power system informations, proposed transport networks is partitioned management part and functional part, management part is partitioned edge network, core network, local network, authority network, functional part is partitioned core network, access network, edge area. It is based on laying and partitioning by ITU-T G.805, we also proposed ATM network requirements for Carrier Relay traffic acceptability in electric power system information.

  • PDF

Studies of Silyl-Transfer Photochemical Reactions of N-[(Trimethylsilyl)alkyl]saccharins

  • Cho, Dae-Won;Oh, Sun-Wha;Kim, Dong-Uk;Park, Hea-Jung;Xue, Jin-Ying;Yoon, Ung-Chan;Mariano, Patrick S.
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.9
    • /
    • pp.2453-2458
    • /
    • 2010
  • Photochemical studies of N-[(trimethylsilyl)alkyl]saccharins were carried out to investigate their photochemical behavior. Depending on the nature of the substrate and the solvent system employed, reactions of these substances can take place by either SET-promoted silyl migration from carbon to either the amide carbonyl or sulfonyl oxygen or by a N-S homolysis route. The results of the current studies show that an azomethine ylide, arising from a SET-promoted silyl migration pathway, is generated in photoreactions of N-[(trimethylsilyl)methyl]saccharin and this intermediate reacts to give various photoproducts depending on the conditions employed. In addition, irradiation of N-[(trimethylsily)ethyl]saccharin produces an excited state that reacts through two pathways, the relative importance is governed by solvent polarity and protic nature. Finally, photoirradiation of N-[(trimethylsilyl)propyl]saccharin in a highly polar solvent system comprised of 35% aqueous MeOH gives rise to formation of a tricyclic pyrrolizidine and saccharin that generated via competitive SET-promoted silyl transfer and $\gamma$-hydrogen abstraction pathways.

Density Functional Theory Study on Triphenylamine-based Dye Sensitizers Containing Different Donor Moieties

  • Xu, Jie;Wang, Lei;Liang, Guijie;Bai, Zikui;Wang, Luoxin;Xu, Weilin;Shen, Xiaolin
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.9
    • /
    • pp.2531-2536
    • /
    • 2010
  • Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations have been employed to investigate the molecular structures and absorption spectra of two dyes containing diphenylaniline and 4-diphenylamino-diphenylaniline as donor moiety (TPA1 and TPA3). The geometries indicate that the strong conjugation is formed in the dyes. The electronic structures suggest that the intramolecular charge transfer from the donor to the acceptor occurs, and the electron-donating capability of 4-diphenylamino-diphenylaniline is stronger than that of diphenylaniline. The computed highest occupied molecular orbital (HOMO) energy levels are -5.31 and -4.90 eV, while the lowest unoccupied molecular orbital (LUMO) energies are -2.29 and -2.26 eV for TPA1 and TPA3, respectively, revealing that the interfacial charge transfer between the dyes and the semiconductor electrode are electron injection processes from the photon-excited dyes to the semiconductor conduction band. Furthermore, all the experimental absorption bands of TPA1 and TPA3 have been assigned according to the TDDFT calculations.

Rasch Analysis of FIM Physical Items in Patients With Stroke in Korea (뇌졸중 환자의 기능수준에 따른 FIM 신체적 기능 항목의 라쉬분석)

  • Park, So-Yeon;Won, Jong-Im;Lee, Mi-Young
    • Physical Therapy Korea
    • /
    • v.17 no.2
    • /
    • pp.51-59
    • /
    • 2010
  • The Functional Independence Measure (FIM) is widely used to determine the dependency of activity of daily living in rehabilitation patients. The purposes of this study were to evaluate the unidimentionality of the FIM physical items and to analyze the validity of cross-functional levels in stroke survivors in Korea. Thirteen physical items of FIM were rated according to an ordinal scale of a 7-level classification. Two hundred and seventy-nine patients participated in the study (age range 18~92 years and 57% male). Six items-eating, bladder control, bowel control, transfer to and from the bed/wheelchair, transfer to and from the toilet, and bathing-showed misfits with the Rasch model. The most difficult item was 'bathing', the easiest item was 'bowel control'. Although there were several differences within functional levels, the hierarchical order of item measures was rather similar. 'Bathing' was the most difficult in high level patients (above 60), however 'stairs' was most difficult in the middle level (41~60) group. In the low level group (below 40), 'toileting' was the most difficult. In conclusion, the present study has shown several differences of item difficulty among functional levels. This result will be useful in planning interventions, and developing rehabilitation programs for stroke survivors.

A Study of Changing the Functional Activities with and without Pusher Syndrome (밀기증후군 유무에 따른 기능변화에 관한 연구)

  • Hwang Byong-Yong;Kim Han-Soo
    • The Journal of Korean Physical Therapy
    • /
    • v.11 no.2
    • /
    • pp.111-114
    • /
    • 1999
  • Some hemiplegic patients show a particular posture that pushing away from the nonaffected side of the body. A few study has been conducted of any aspect of this syndrome. But despite the lack of a scientific basis, this term is widely used in the physical therapy of hemiplegic patients. The purposes of this study was to investigate whether pusher syndrome has an adverse impact on functional outcome. Included were all acute stroke patients admitted in a months period a hospital in Seoul. The presence of pusher syndrome was assessed by a Bobath trained physical therapist. The ability of transfer was assessed by the Functional Independence Measure(FIM), Activities of daily living by the Modified Barthel Index(MBI), and standing balance by Bohannon's Standing Balance Scale(BSBS) on admission, weekly during the hospital stay, and at discharge. Pusher syndrome was found in $52.4\%$ of the left side and $50.0\%$ of the right aide hemiplegic patients. Significant differences were found in the score of transfer, ADL and standing balance between patients with and without pusher syndrome.

  • PDF

Second Toe to Finger Transfer in Traumatic Amputated Index (외상성 수지 절단에서 인지 재건을 위한 제 2 족지이식)

  • Lee, Kwang-Suk;Hahn, Seung-Beom;Lee, Seoung-Joon;Park, Sung-Joon
    • Archives of Reconstructive Microsurgery
    • /
    • v.11 no.1
    • /
    • pp.41-46
    • /
    • 2002
  • Purpose : To assess the clinical results of second toe-to-finger transfer in traumatic amputated index finger. Materials and Methods : For the clinical evaluation, we have analyzed 12 patients with ROM of finger joints, pinch power, static two point discrimination, life functional assessment, and patient's satisfaction. Results : In genral ROM was $54.4^{\circ}$ at MP joint, $17^{\circ}$ at PIP joint and $6.7^{\circ}$ at DIP joint. Pinch power was good in 3 cases, fair in 7 cases, and poor in 2 cases. Daily life activity and patient's acceptance were satisfactory. Conclusion : Although transfered toe function may be poorer than normal finger, the hand was restored to a useful, sensate and versatile functional unit.

  • PDF