TY - JOUR A1 - Ali, Mostafa A1 - Homann, Thomas A1 - Kreisel, Janka A1 - Khalil, Mahmoud A1 - Puhlmann, Ralf A1 - Kruse, Hans-Peter A1 - Rawel, Harshadrai Manilal T1 - Characterization and modeling of the interactions between coffee storage proteins and phenolic compounds JF - Journal of agricultural and food chemistry : a publication of the American Chemical Society N2 - This study addresses the interactions of coffee storage proteins with coffee-specific phenolic compounds. Protein profiles, of Coffea arabica and Coffea canephora (var robusta) were compared. Major Phenolic compounds were extracted and analyzed with appropriate methods. The polyphenol-protein interactions during protein extraction have been addressed by different analytical setups [reversed-phase high-performance liquid chromatography (RP-HPLC), sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE), matrix-assisted laser desorption ionization-time of flight-mass spectrometry (MALDI-TOF-MS), and Trolox equivalent antioxidant capacity (TEAC) assays], with focus directed toward identification of covalent adduct formation. The results indicate that C. arabica proteins are more susceptible to these interactions and the polyphenol oxidase activity seems to be a crucial factor for the formation of these addition products. A tentative allocation of the modification type and site in the protein has been attempted. Thus, the first available in silico modeling of modified coffee proteins is reported. The extent of these modifications may contribute to the structure and function of "coffee melanoidins" and are discussed in the context of coffee flavor formation. KW - Coffee beans KW - storage proteins KW - phenolic compounds KW - antioxidants KW - protein-phenol interactions KW - modeling Y1 - 2012 U6 - https://doi.org/10.1021/jf303372a SN - 0021-8561 VL - 60 IS - 46 SP - 11601 EP - 11608 PB - American Chemical Society CY - Washington ER - TY - BOOK A1 - Becker, Basil A1 - Giese, Holger T1 - Cyber-physical systems with dynamic structure : towards modeling and verification of inductive invariants N2 - Cyber-physical systems achieve sophisticated system behavior exploring the tight interconnection of physical coupling present in classical engineering systems and information technology based coupling. A particular challenging case are systems where these cyber-physical systems are formed ad hoc according to the specific local topology, the available networking capabilities, and the goals and constraints of the subsystems captured by the information processing part. In this paper we present a formalism that permits to model the sketched class of cyber-physical systems. The ad hoc formation of tightly coupled subsystems of arbitrary size are specified using a UML-based graph transformation system approach. Differential equations are employed to define the resulting tightly coupled behavior. Together, both form hybrid graph transformation systems where the graph transformation rules define the discrete steps where the topology or modes may change, while the differential equations capture the continuous behavior in between such discrete changes. In addition, we demonstrate that automated analysis techniques known for timed graph transformation systems for inductive invariants can be extended to also cover the hybrid case for an expressive case of hybrid models where the formed tightly coupled subsystems are restricted to smaller local networks. N2 - Cyber-physical Systeme erzielen ihr ausgefeiltes Systemverhalten durch die enge Verschränkung von physikalischer Kopplung, wie sie in Systemen der klassichen Igenieurs-Disziplinen vorkommt, und der Kopplung durch Informationstechnologie. Eine besondere Herausforderung stellen in diesem Zusammenhang Systeme dar, die durch die spontane Vernetzung einzelner Cyber-Physical-Systeme entsprechend der lokalen, topologischen Gegebenheiten, verfügbarer Netzwerkfähigkeiten und der Anforderungen und Beschränkungen der Teilsysteme, die durch den informationsverabeitenden Teil vorgegeben sind, entstehen. In diesem Bericht stellen wir einen Formalismus vor, der die Modellierung der eingangs skizzierten Systeme erlaubt. Ein auf UML aufbauender Graph-Transformations-Ansatz wird genutzt, um die spontane Bildung eng kooperierender Teilsysteme beliebiger Größe zu spezifizieren. Differentialgleichungen beschreiben das kombinierte Verhalten auf physikalischer Ebene. In Kombination ergeben diese beiden Formalismen hybride Graph-Transformations-Systeme, in denen die Graph-Transformationen diskrete Schritte und die Differentialgleichungen das kontinuierliche, physikalische Verhalten des Systems beschreiben. Zusätzlich, präsentieren wir die Erweiterung einer automatischen Analysetechnik zur Verifikation induktiver Invarianten, die bereits für zeitbehaftete Systeme bekannt ist, auf den ausdrucksstärkeren Fall der hybriden Modelle. T3 - Technische Berichte des Hasso-Plattner-Instituts für Digital Engineering an der Universität Potsdam - 64 KW - Cyber-Physical-Systeme KW - Verifikation KW - Modellierung KW - hybride Graph-Transformations-Systeme KW - Cyber-physical-systems KW - verification KW - modeling KW - hybrid graph-transformation-systems Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:517-opus-62437 SN - 978-3-86956-217-9 PB - Universitätsverlag Potsdam CY - Potsdam ER -