Matches in SemOpenAlex for { <https://semopenalex.org/work/W2170207268> ?p ?o ?g. }
- W2170207268 abstract "Conformations of alpha-substituted pyrroles have been effectively studied using spectroscopic methods assisted by theoretical calculations developed in the recent decade. The question of how to effectively study the conformation of 2-acylpyrrole no longer remains unanswered. The detailed spectroscopic studies conducted in the last decade and interpreted on the basis of theoretical calculations provide a satisfactory answer to that question. Based on the Density Functional Theory (DFT) calculations of conformational properties of 2-acylpyrroles, for which two stable rotameric forms were predicted, syn and anti-conformers have been studied either by experimental or theoretical methods. The family of 2-acylpyrroles have both a proton donor N-H group and a proton acceptor C=O group. This structure favors the formation of doubly hydrogen-bonded cyclic dimers connected by two N-H...O=C bonds. The tendency to form cyclic dimers stabilizes the syn-conformation. Due to these properties 2-acylpyrroles can be used as structural models for the conformational analysis of peptides. This review summarizes recent investigations of conformations of 2-acylpyrroles, with a particular emphasis on the hydrogen bonds forming within these systems. The influence of 2-substitution on different aspects of stability of these molecular systems and the usefulness of infrared spectroscopy supported by theoretical calculations in H-bonds and conformational studies are discussed. Among the molecular properties hydrogen bond energy, structural characteristics such as C=O bond length of dimers and unique spectral features of 2-acylpyrroles that can be used to predict and investigate the conformation and structure of proteins are considered." @default.
- W2170207268 created "2016-06-24" @default.
- W2170207268 creator A5011188412 @default.
- W2170207268 date "2014-01-01" @default.
- W2170207268 modified "2023-09-27" @default.
- W2170207268 title "Conformational Preferences of 2-Acylpyrroles in Light of FT-IR and DFT Studies" @default.
- W2170207268 cites W1498913318 @default.
- W2170207268 cites W1528130557 @default.
- W2170207268 cites W1561724558 @default.
- W2170207268 cites W1571259024 @default.
- W2170207268 cites W1966798054 @default.
- W2170207268 cites W1969169061 @default.
- W2170207268 cites W1972061793 @default.
- W2170207268 cites W1972973091 @default.
- W2170207268 cites W1980192596 @default.
- W2170207268 cites W1981547375 @default.
- W2170207268 cites W1982959036 @default.
- W2170207268 cites W1983697546 @default.
- W2170207268 cites W1985932094 @default.
- W2170207268 cites W1987957958 @default.
- W2170207268 cites W1989309253 @default.
- W2170207268 cites W1993843336 @default.
- W2170207268 cites W1994849125 @default.
- W2170207268 cites W1996297281 @default.
- W2170207268 cites W1997271320 @default.
- W2170207268 cites W1997482518 @default.
- W2170207268 cites W1998186892 @default.
- W2170207268 cites W1998920258 @default.
- W2170207268 cites W1999977146 @default.
- W2170207268 cites W2001857913 @default.
- W2170207268 cites W2002968096 @default.
- W2170207268 cites W2003143480 @default.
- W2170207268 cites W2009955424 @default.
- W2170207268 cites W2011371798 @default.
- W2170207268 cites W2014659118 @default.
- W2170207268 cites W2018434047 @default.
- W2170207268 cites W2019396899 @default.
- W2170207268 cites W2020921116 @default.
- W2170207268 cites W2021590646 @default.
- W2170207268 cites W2026369186 @default.
- W2170207268 cites W2028546996 @default.
- W2170207268 cites W2028693420 @default.
- W2170207268 cites W2029270920 @default.
- W2170207268 cites W2031228768 @default.
- W2170207268 cites W2035488858 @default.
- W2170207268 cites W2038413105 @default.
- W2170207268 cites W2040618245 @default.
- W2170207268 cites W2041243914 @default.
- W2170207268 cites W2042318257 @default.
- W2170207268 cites W2044932597 @default.
- W2170207268 cites W2045146552 @default.
- W2170207268 cites W2048336206 @default.
- W2170207268 cites W2049292690 @default.
- W2170207268 cites W2050227711 @default.
- W2170207268 cites W2050427504 @default.
- W2170207268 cites W2051238790 @default.
- W2170207268 cites W2052119010 @default.
- W2170207268 cites W2052897849 @default.
- W2170207268 cites W2054672788 @default.
- W2170207268 cites W2057002803 @default.
- W2170207268 cites W2057119195 @default.
- W2170207268 cites W2058717362 @default.
- W2170207268 cites W2060087627 @default.
- W2170207268 cites W2060897424 @default.
- W2170207268 cites W2060979157 @default.
- W2170207268 cites W2061534841 @default.
- W2170207268 cites W2063563228 @default.
- W2170207268 cites W2063713033 @default.
- W2170207268 cites W2064646891 @default.
- W2170207268 cites W2064998601 @default.
- W2170207268 cites W2065674246 @default.
- W2170207268 cites W2065928336 @default.
- W2170207268 cites W2066481531 @default.
- W2170207268 cites W2067770704 @default.
- W2170207268 cites W2074741189 @default.
- W2170207268 cites W2078022254 @default.
- W2170207268 cites W2078347224 @default.
- W2170207268 cites W2078954436 @default.
- W2170207268 cites W2080885149 @default.
- W2170207268 cites W2081051431 @default.
- W2170207268 cites W2081166351 @default.
- W2170207268 cites W2084989334 @default.
- W2170207268 cites W2087141791 @default.
- W2170207268 cites W2087553362 @default.
- W2170207268 cites W2089962804 @default.
- W2170207268 cites W2091264710 @default.
- W2170207268 cites W2091444054 @default.
- W2170207268 cites W2095175812 @default.
- W2170207268 cites W2099657180 @default.
- W2170207268 cites W2108753572 @default.
- W2170207268 cites W2108797769 @default.
- W2170207268 cites W2111139603 @default.
- W2170207268 cites W2117626464 @default.
- W2170207268 cites W2125080880 @default.
- W2170207268 cites W2128201662 @default.
- W2170207268 cites W2143556825 @default.
- W2170207268 cites W2148941593 @default.
- W2170207268 cites W2151545878 @default.
- W2170207268 cites W2155442264 @default.
- W2170207268 cites W2158586305 @default.