the study of the spatial arrangement of atoms or groups of atoms in a molecule and the way in which this influences chemical behaviour
Examples of 'conformational analysis' in a sentence
conformational analysis
Results were also authenticated by conformational analysis.
Mohd. Aamir Mirza, Sushama Talegaonkar, Farhan Jalees Ahmad, Zeenat Iqbal 2011, 'A novel and multifunctional excipient for vaginal drug delivery', Journal of Excipients and Food Chemicalshttps://jefc.scholasticahq.com/article/1119-a-novel-and-multifunctional-excipient-for-vaginal-drug-delivery. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
The results are further supported and rationalized by conformational analysis.
Magnus Blom, Sara Norrehed, Claes-Henrik Andersson, Hao Huang, Mark E. Light, JonasBergquist, Helena Grennberg, Adolf Gogoll 2015, 'Synthesis and Properties of Bis-Porphyrin Molecular Tweezers: Effects of Spacer Flexibilityon Binding and Supramolecular Chirogenesis', Moleculeshttp://www.mdpi.com/1420-3049/21/1/16. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
Semiempirical calculations were performed to carry out a conformational analysis for carbohydrate-derived dienophiles1-4.
S. C. Pellegrinet, M. T. Baumgartner, R. A. Spanevello 2000, 'Reactivity Comparison of D–Glucose–Derived Dienophiles. Analysis of theConformational and Electronic Properties', Moleculeshttp://www.mdpi.com/1420-3049/5/3/451/. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
Conformational analysis represents an important preliminary step in structure-activity correlation studies.
M. V. Marques, D. Russowsky, L. A. M. Fontoura 2010, 'Análise conformacional de compostos de Biginelli com atividade antineoplásica', Eclética Químicahttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-46702010000400004. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
These features are illustrated via the conformational analysis of two 4'-thio-2'-deoxynucleoside analogs.
Martins José C, Hendrickx Pieter MS 2008, 'A user-friendly Matlab program and GUI for the pseudorotation analysis of saturatedfive-membered ring systems based on scalar coupling constants', Chemistry Central Journalhttp://journal.chemistrycentral.com/content/2/1/20. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
This study shows how a systematic theoretical conformational analysis can help to understand chemical processes at a molecular level.
Hélio F. Dos Santos 2001, 'Análise conformacional de modelos de lignina Conformational analysis of lignin models',Química Novahttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422001000400009. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)
The use of quantum mechanical molecular orbital ab initio methods offer an alternative for conformational analysis studies.
Wagner B. De Almeida 2000, 'Determinação da estrutura molecular do ciclooctano por métodos ab initio e difraçãode elétrons na fase gasosa Molecular structure determination of cyclootane by ab initioand electron diffraction methods in the gas phase', Química Novahttp://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422000000500006. Retrieved from DOAJ CC BY 4.0 (https://creativecommons.org/licenses/by-sa/4.0/legalcode)