Zobrazeno 1 - 10 of 120 pro vyhledávání: '"Yliniemelä, A."'
1
Conformational properties and folding analysis of a series of seven oligoamide foldamers
Autor: Aku Suhonen, Sanna Yliniemelä-Sipari, Petri M. Pihko, Elisa Nauha, Maija Nissinen, Minna Kortelainen
Publikováno v: CrystEngComm. 18:2005-2013
33 crystal structures (11 unsolvated and 22 solvates) of a series of seven oligoamide foldamers were analysed. The crystal structures revealed that despite the structural and environmental differences the series of foldamers prefer only two general c
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::742936f949355852495a8a26d1a1caca
https://doi.org/10.1039/c5ce02458g
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2
High-affinity benzodiazepine receptor ligands among benzodiazepines and betacarbolines with different intrinsic activity
Autor: J. Rouvinen, Jukka Gynther, Henrik Konschin, A. Yliniemelä, Henrik Tylli
Publikováno v: International Journal of Quantum Chemistry. 36:273-280
Structural and electrostatic features of diazepam, flumazenil, and methyl betacarboline-3-carboxylate (BCCM) have been investigated using the molecular superimposition method. These high-affinity benzodiazepine (BZ) receptor ligands are structurally
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::78934514b682477c68d976606345cdad
https://doi.org/10.1002/qua.560360721
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3
An Improved and Green Preparation of 3-(Alkylthio)propionic Acids
Autor: Matti J. P. Vaismaa, Sanna M. Yliniemelä, Marja K. Lajunen
Publikováno v: Zeitschrift für Naturforschung B. 62:1317-1323
An efficient, facile microwave-assisted synthesis has been developed for the preparation of unsymmetrical sulfide derivatives from 3-mercaptopropionic acid and a wide variety of alkyl, allyl or aryl chlorides or bromides. The synthesis performed in e
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::855a78793db0676586d4fcd249421bf2
https://doi.org/10.1515/znb-2007-1014
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4
[Untitled]
Autor: Ari Yliniemelä, Martti Ovaska
Publikováno v: Journal of Computer-Aided Molecular Design. 12:301-307
Catechol and endogenous catechol derivatives are readily methylated by catechol O-methyltransferase (COMT). In contrast, many catechol derivatives possessing electronegative substituents are potent COMT inhibitors. The X-ray structure of the active s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cba36bae61425f198c09cc8099cab38c
https://doi.org/10.1023/a:1007965026738
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5
New Kemp’s Diacid Derivatives Give Efficient Transport and Modifiable Selectivity for Alkaline Earth and Transition Metal Ions
Autor: Zhen-He Wang, Takuji Hirose, Ari Yliniemelä, Tadafumi Uchimaru, Bruce W. Baldwin
Publikováno v: Bulletin of the Chemical Society of Japan. 70:1895-1903
New derivatives of 1,3,5-trimethyl-r-1, c-3, c-5-cyclohexanetricarboxylic acid (Kemp’s triacid) showed high efficiency for alkaline earth and transition metal ion transport through a chloroform liquid membrane. Simple syntheses from Kemp’s triaci
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::86f1b7a85dcf7a0146f4d8cea574952d
https://doi.org/10.1246/bcsj.70.1895
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6
Theoretical study on CH2CNH/CH3CN: isomerization reaction in small clusters containing H2O molecules
Autor: H. Takeo, A. Yliniemelä, J. Flügge
Publikováno v: Journal of Molecular Structure: THEOCHEM. 389:27-35
We investigated the effect of water molecules on the isomerization reaction of ketenimine yielding acetonitrile. The molecular structures were optimized at Hartree-Fock and MP2 levels. Up to 3 H 2 O molecules were explicitly taken into account. In th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cd7cc13b4fa9e75de0db89f8d537a623
https://doi.org/10.1016/s0166-1280(96)04730-6
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8
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9
A computational study on magnesium complexation with formate and hydrogen malonate anions
Autor: Ari Yliniemelä, Takuji Hirose, Tadafumi Uchimaru, Bruce W. Baldwin, Kazutoshi Tanabe
Publikováno v: Yliniemelä, A, Uchimaru, T, Hirose, T, Baldwin, B & Tanabe, K 1996, ' A computational study on magnesium complexation with formate and hydrogen malonate anions ', Journal of Molecular Structure, vol. 369, no. 1-3, pp. 9-22 . https://doi.org/10.1016/S0166-1280(96)04641-6
The complexation of magnesium with hydrogen malonate and formate anions was studied with ab initio calculations. At least HF/6-31G ∗ level of accuracy is necessary for a qualitatively correct description of the complexes. The coordination space of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea3c4044801fa1d8b3a49155b51ab79f
https://doi.org/10.1016/s0166-1280(96)04641-6
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10
Comparison of atomic charge distributions obtained from different procedures: basis set and electron correlation effects
Autor: Tadafumi Uchimaru, Seiji Tsuzuki, Kazutoshi Tanabe, Ari Yliniemelä
Publikováno v: Journal of Molecular Structure: THEOCHEM. 365:81-88
The atomic charge distributions of dimethyl ether, ethyl methyl ether, methyl alcohol and ethyl alcohol are obtained by Mulliken and natural population analyses and by electrostatic potential (ESP) fitting methods from HF and MP2 wavefunctions with s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8de6c710aa768250d88d51f776b1b5db
https://doi.org/10.1016/0166-1280(96)04500-9
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