TY - JOUR AU - Szőri, Milán AU - Jójárt, Balázs AU - Izsak, Robert AU - Szőri, Kornél AU - Csizmadia, Imre Gyula AU - Viskolcz, Béla TI - Chemical evolution of biomolecule building blocks. Can thermodynamics explain the accumulation of glycine in the prebiotic ocean? JF - PHYSICAL CHEMISTRY CHEMICAL PHYSICS J2 - PHYS CHEM CHEM PHYS VL - 13 PY - 2011 IS - 16 SP - 7449 EP - 7458 PG - 10 SN - 1463-9076 DO - 10.1039/c0cp02687e UR - https://m2.mtmt.hu/api/publication/1762418 ID - 1762418 AB - It has always been a question of considerable scientific interest why amino acids (and other biomolecule building blocks) formed and accumulated in the prebiotic ocean. In this study, we suggest an answer to this question for the simplest amino acid, glycine. We have shown for the first time that classical equilibrium thermodynamics can explain the most likely selection of glycine (and the derivative of its dipeptide) in aqueous media, although glycine is not the lowest free energy structure among all (404) possible constitutional isomers. Species preceding glycine in the free energy order are either supramolecular complexes of small molecules or such molecules likely to dissociate and thus get back to the gas phase. Then, 2-hydroxyacetamide condensates yielding a thermodynamically favored derivative of glycine dipeptide providing an alternative way for peptide formation. It is remarkable that a simple equilibrium thermodynamic model can explain the accumulation of glycine and provide a reason for the importance of water in the formation process. LA - English DB - MTMT ER - TY - JOUR AU - Ruscic, B AU - Boggs, JE AU - Burcat, A AU - Császár, Attila Géza AU - Demaison, J AU - Janoschek, R AU - Martin, JML AU - Morton, ML AU - Rossi, MJ AU - Szalay, Péter AU - Stanton, JF AU - Westmoreland, PR AU - Zabel, F AU - Bérces, Tibor TI - IUPAC critical evaluation of thermochemical properties of selected radicals. Part I JF - JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA J2 - J PHYS CHEM REF DATA VL - 34 PY - 2005 IS - 2 SP - 573 EP - 656 PG - 84 SN - 0047-2689 DO - 10.1063/1.1724828 UR - https://m2.mtmt.hu/api/publication/114884 ID - 114884 N1 - [013/2005] Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, United States Department of Chemistry, University of Texas, Austin, TX 78712-1167, United States Faculty of Aerospace Engineering, Technion-Israel Institute of Technology, Haifa 32000, Israel Department of Theoretical Chemistry, Loránd Eötvös University, 1117 Budapest, Hungary Laboratoire de Physique des Lasers, Atomes et Molécules, Université de Lille 1, 59655 Villeneuve d'Ascq, France Karl-Franzens-Universität, Institut für Theoretische Chemie, 8010 Graz, Austria Department of Organic Chemistry, Weizmann Institute of Science, 76100 Rechovot, Israel LPA-Laboratoire de Pollution Atmosphérique, ENAC-Faculté Environnement Naturel Construit, EPFL-Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland Department of Chemical Engineering, University of Massachusetts Amherst, Amherst, MA 01003-9330, United States Institut für Physikalische Chemie, Universität Stuttgart, 70569 Stuttgart, Germany Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, 1025 Budapest, Hungary Cited By :266 Export Date: 20 November 2019 Correspondence Address: Ruscic, B.; Chemistry Division, Argonne National Laboratory, Argonne, IL 60439, United States; email: ruscic@anl.gov LA - English DB - MTMT ER - TY - JOUR AU - Pulay, P AU - Fogarasi, Géza AU - Pang, F AU - Boggs, JE TI - SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES JF - JOURNAL OF THE AMERICAN CHEMICAL SOCIETY J2 - J AM CHEM SOC VL - 101 PY - 1979 SP - 2550 EP - 2560 PG - 11 SN - 0002-7863 DO - 10.1021/ja00504a009 UR - https://m2.mtmt.hu/api/publication/10671 ID - 10671 N1 - Cited By :2074 Export Date: 21 February 2024 LA - English DB - MTMT ER -