Ergometrinine

The absolute configuration of ergometrinine, C19H23N3O2 {systematic name: (6aR,9S)-N-[(S)-1-hy­droxy­propan-2-yl]-7-methyl-4,6,6a,7,8,9-hexa­hydro­indolo[4,3-fg]quinoline-9-carb­ox­amide}, was established based on epimerization reaction of ergometrine, which was followed by preparative HPLC. The non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar [maximum deviation = 0.271 (3) Å] and shows an envelope conformation, whereas ring D, involved in an intra­molecular N—H⋯N hydrogen bond, exibits a slightly distorted chair conformation. The structure displays undulating layers in the ac plane formed by O—H⋯O and N—H⋯O hydrogen bonds

Ergotaminine

The title compound {systematic name: (6aR,9S)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hy­droxy-2-methyl-3,6-dioxoocta­hydro-8H-oxazolo[3,2-a]pyrrolo­[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexa­hydro­indolo[4,3-fg]quinoline-9-carboxamide}, C33H35N5O5, was formed by an epimerization reaction of ergotamine. The non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar [maximum deviation = 0.317 (4) Å] and shows an envelope conformation, whereas ring D, involved in an intra­molecular N—H⋯N hydrogen bond exhibits a slightly distorted chair conformation. The structure displays chains running approximately parallel to the diagonal of bc plane that are formed through N—H⋯O hydrogen bonds

Wissensmanagement mittels Wiki-Systemen

--

Lysergol monohydrate

In the title compound [systematic name: (7-methyl-4,6,6a,7,8,9-hexa­hydro­indolo[4,3,2-fg]quinoline-9-yl)methanol monohydrate], C16H18N2O·H2O, the non-aromatic ring (ring C of the ergoline skeleton) directly fused to the aromatic rings is nearly planar, with a maximum deviation of 0.659 (3) Å, and shows an envelope conformation. In the crystal, hydrogen bonds between the lysergol and water mol­ecules contribute to the formation of layers parallel to (10)

Psoriasis and Diabetes: A Multicenter Study in 222078 Type 2 Diabetes Patients Reveals High Levels of Depression

Objective. This study aimed to investigate the association between psoriasis and disease outcome in type 2 diabetes (T2D). Methods. 222078 T2D patients (≥10 years old) from the prospective, multicenter diabetes patient registry were analyzed. Specific search items were used to identify psoriasis patients. Multiple regression models were fitted and adjusted for demographic confounder. Results. 232 T2D patients had comorbid psoriasis. After adjusting psoriasis patients revealed a higher BMI (31.8 [31.0; 32.6] versus 30.6 [30.5; 30.6] kg/m2, p=0.004) and HbA1c (64.8 [62.1; 67.6] versus 59.0 [58.9; 59.1] mmol/mol, p<0.0001). Insulin was used more frequently (62.3 [55.7; 68.5] versus 50.9 [50.7; 51.1] %, p=0.001), only OAD/GLP-1 was similar, and nonpharmacological treatment was less common (13.3 [9.5; 18.3] versus 21.9 [21.7; 22.1] %, p=0.002). Severe hypoglycemia (0.31 [0.238; 0.399] versus 0.06 [0.057; 0.060] events per patient-year, p<0.0001), hypertension (86.1 [81.1; 90.0] versus 68.0 [67.8; 68.2] %, p<0.0001), and thyroid disease (14.0 [10.1; 19.2] versus 4.6 [4.5; 4.7] %, p<0.0001) were more prevalent. Depression occurred more often (10.5 [7.1; 15.2] versus 2.8 [2.7; 2.8] %, p<0.0001). Conclusions. Clinical diabetes characteristics in psoriasis T2D patients were clearly worse compared to patients without psoriasis. Comorbid conditions and depression were more prevalent, and more intensive diabetes therapy was required

Investigation of the Ergopeptide Epimerization Process

Ergopeptides, like ergocornine and a-ergocryptine, exist in an S- and in an R-configuration. Kinetic experiments imply that certain configurations are preferred depending on the solvent. The experimental methods are explained in this article. Furthermore, computational methods are used to understand this configurational preference. Standard quantum chemical methods can predict the favored configurations by using minimum energy calculations on the potential energy landscape. However, the explicit role of the solvent is not revealed by this type of methods. In order to better understand its influence, classical mechanical molecular simulations are applied. It appears from our research that “folding” the ergopeptide molecules into an intermediate state (between the S- and the R-configuration) is mechanically hindered for the preferred configurations

Energieflexible Modellregion Augsburg: Auf dem Weg zur Transformation

Im Kopernikus-Projekt SynErgie wird die Anpassung von Industrieprozessen an eine volatile Energieerzeugung erforscht. Die energieflexible Modellregion Augsburg bietet dabei eine Plattform zur ganzheitlichen Betrachtung der Potenziale, Auswirkungen, Chancen und Hemmnisse von Energieflexiblen Fabriken. Vertreter*innen aus Wissenschaft, Wirtschaft, Verwaltung und Zivilgesellschaft beleuchten transdisziplinär die technologischen, ökologischen und gesellschaftlichen Aspekte, die für die erfolgreiche Umsetzung der Energiewende entscheidend sind. Mit Hilfe der simulationsbasierten Optimierung wurden repräsentative Flexibilitätsmaßnahmen realer Unternehmen in heutigen und zukünftigen Versorgungsszenarien zur Stabilisierung des Stromsystems der Modellregion Augsburg eingesetzt. Die Simulationsergebnisse haben gezeigt, dass die energieflexiblen Fabriken positive Auswirkungen im Maßstab mittelgroßer Kraftwerke auf die elektrische Energiebilanz der Region haben. Die ökologischen Mehrbelastungen durch dieFlexibilisierung der Industrieprozesse, wie erhöhter Strom- oder Stoffeinsatz, konnten im Rahmen einer Ökobilanzierung als sehr gering eingestuft werden. Um durch den kontinuierlichen Aus- bau von Erneuerbaren Energien eine Überbeanspruchung der Übertragungs- und insbesondere der Verteilnetze zu vermeiden, sind mehr regionale Mechanismen notwendig. Im Rahmen der Arbeiten in SynErgie wurden dabei bestehende sowie zukünftig sinnvolle regionale Vermarktungsmechanismen für Flexibilitätsmaßnahmen identifiziert und gegenübergestellt. In regelmäßigen Arbeitstreffen und in einem Stakeholder-Dialog konnten die Hemmnisse und neue Fragestellungen sowie der weitere Forschungsbedarf für die Umsetzung des Energiewende-Lösungsbausteins der energieflexiblen Fabrik ermittelt werden