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Volumn 72, Issue 18, 2007, Pages 6776-6785

Synthesis and conformational analysis of novel trimeric maleimide cross-linking reagents

Author keywords

[No Author keywords available]

Indexed keywords

CROSSLINKING; HYDROGEN BONDS; MONTE CARLO METHODS; NUCLEAR MAGNETIC RESONANCE; POTENTIAL ENERGY SURFACES; SYNTHESIS (CHEMICAL);

EID: 34548752799     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo0709293     Document Type: Article
Times cited : (18)

References (66)
  • 9
    • 0032543555 scopus 로고    scopus 로고
    • Wyatt, R.; Kwong, P. D.; Desjardins, E.; Sweet, R. G.; Robinson, J.; Hendrickson, W. A.; •' Sodroski, J. G. Nature 1998, 393, 705-711.
    • (b) Wyatt, R.; Kwong, P. D.; Desjardins, E.; Sweet, R. G.; Robinson, J.; Hendrickson, W. A.; •' Sodroski, J. G. Nature 1998, 393, 705-711.
  • 14
  • 33
    • 34548773532 scopus 로고    scopus 로고
    • The synthesis and chemical characterization of compounds 4a-c and 5c is reported in ref 6.
    • The synthesis and chemical characterization of compounds 4a-c and 5c is reported in ref 6.
  • 34
    • 0031827726 scopus 로고    scopus 로고
    • Reddy, P.; Y.; Kondo, S.; Fujita, S.; Toru, T. Synthesis 1998, 999-1002.
    • Reddy, P.; Y.; Kondo, S.; Fujita, S.; Toru, T. Synthesis 1998, 999-1002.
  • 43
    • 0031160103 scopus 로고    scopus 로고
    • A temperature coefficient more positive than -4.5 ppb/K indicates a hydrogen bond, whereas if it exchanges rapidly and has a temperature coefficient more negative than -4.5 ppb/K, it is not hydrogen bonded. See: Baxter, N. J.; Williamson, M. P. J. Biomol. NMR 1997, 9, 359-369.
    • (a) A temperature coefficient more positive than -4.5 ppb/K indicates a hydrogen bond, whereas if it exchanges rapidly and has a temperature coefficient more negative than -4.5 ppb/K, it is not hydrogen bonded. See: Baxter, N. J.; Williamson, M. P. J. Biomol. NMR 1997, 9, 359-369.
  • 51
    • 34548717774 scopus 로고    scopus 로고
    • Structures were determined to be chairs or boats by measuring the dihedral angle of each arm relative to the central ring. All angles greater than 125° were identified as axial substituents, whereas those less than or equal to 125° were defined as equatorial. Those structures that contained all axial or all equatorial arms were counted as chairs, and those with mixtures of axial and equatorial arms were defined to be boats. We were concerned that perhaps our conformational search was overly biased by the chair starting structure; however, simulations purposely seeded with boat conformations as initial structures also resulted in 100% chair ensembles
    • Structures were determined to be chairs or boats by measuring the dihedral angle of each arm relative to the central ring. All angles greater than 125° were identified as axial substituents, whereas those less than or equal to 125° were defined as equatorial. Those structures that contained all axial or all equatorial arms were counted as chairs, and those with mixtures of axial and equatorial arms were defined to be boats. We were concerned that perhaps our conformational search was overly biased by the chair starting structure; however, simulations purposely seeded with boat conformations as initial structures also resulted in 100% chair ensembles.
  • 54
    • 34548728146 scopus 로고
    • V6.5; Schrodinger, Inc, Portland, OR
    • Jaguar, V6.5; Schrodinger, Inc.: Portland, OR, 1991-2000; www.schrodinger.com.
    • (1991) Jaguar


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.