Computational Framework for the Identification of Bioprivileged Molecules

Bioprivileged molecules are biology-derived chemical intermediates that can be efficiently converted to a diversity of chemical products including both novel molecules and drop-in replacements. Bridging chemical and biological catalysis by bioprivileged molecules provides a useful and flexible new paradigm for producing biobased chemicals. However, the discovery of bioprivileged molecules has been demonstrated to require extensive experimental effort over a long period of time. In this work, we developed a computational framework for identification of all possible C6HxOy molecules (29252) that can be honed down to a manageable number of candidate bioprivileged molecules based on analysis of structural features, reactive moieties, and reactivity of species, and the evaluation of the reaction network and resulting products based on automated network generation. Required input is the structure data file (SDF) of the starting molecules and the reaction rules. On-the-fly estimation of thermodynamics by a group contribution method is introduced as a screening criterion to identify the feasibility of reactions and pathways. Generated species are dynamically linked to the PubChem database for identification of novel products and evaluation of the known products as attractive candidates. Application of the proposed computational framework in screening 29252 C6 species and identifying a list of 100 C6HxOy bioprivileged molecule candidates is presented. Each of the 100 candidate molecules falls into one of nine broad compound classes and is typically composed of carbon atoms with a different chemical environment and, as a result, distinct reactivity patterns. Sensitivity analysis of the parameters used in the filtering steps leading to the candidate molecules that were identified is discussed, and analysis of favorable structural features, reactive moieties, and functionalities of C6HxOy candidate bioprivileged molecules is performed

Manifestações da Síndrome de Gorlin-Goltz: uma revisão de literatura

A Síndrome de Gorlin Goltz, também conhecida como Síndrome do carcinoma nevóide basocelular é uma desordem autossômica dominante hereditária de alta penetrância e expressividade variável, resultante da mutação do gene protein patched homólogo 1 (PTCH1). No presente trabalho, foi realizada uma revisão de literatura com a comparação de 13 artigos filtrados na plataforma PubMed, em que os relatos de casos envolvem métodos de diagnóstico, manifestações mais e menos comuns e prevalentes em pacientes com diferentes fenótipos. Os resultados obtidos se mostraram como sintomas mais comuns são: múltiplos carcinomas basocelulares na pele, ceratocistos odontogênicos, calcificações intracranianas na foice cerebral e anomalias nas costelas e vértebras (costela bífida, chanfrada, fusionadas e parcialmente ausentes) e as menos frequentes podem ser descritas por meduloblastoma, fibroma cardíaco, fissura palatina e/ou labial, entre outras. O diagnóstico e tratamento deve ser realizado de maneira multidisciplinar a fim de englobar o paciente como um todo para se possível, um melhor prognóstico e posterior qualidade de vida

Feminism vs. Judaism?

Bertha Pappenheim, berühmt vor allem als Anna O. aus Breuers und Freuds Studien über Hysterie, wurde nach Überwindung ihrer Krankheit eine bekannte jüdische Frauenrechtlerin und Pionierin der sozialen Arbeit. Britta Konz legt mit ihrer Dissertation eine theologisch fundierte Analyse des Lebenswerks dieser faszinierenden Frau vor, die 1904 den Jüdischen Frauenbund gründete, um für ihre Version des Judentums einzutreten: die Verbindung von traditionellem Judentum und Frauenemanzipation. Dieses weiblich-jüdische „Projekt der Moderne“ steht im Mittelpunkt der Studie.Bertha Pappenheim, best known as Anna O. from Breuer and Freud’s Studies on Hysteria, became a well-known Jewish women’s rights activist and pioneer of social work after she overcame her illness. Britta Konz’s dissertation presents a theologically grounded analysis of the life work of this fascinating woman who founded the Jewish League of Women in 1904 in order to advocate her version of Judaism, which joins traditional Judaism with women’s emancipation. This feminine-Jewish “Project of Modernism” is central to the study

Italy’s History of Jewish Persecution—Written Anew

War auch Italien ein Land des Antisemitismus und der Judenverfolgung? Der in der Forschung liebgewordene Unterschied zwischen den beiden faschistischen Systemen im Europa des 20. Jahrhunderts wird in der vorliegenden Aufsatzsammlung mit präzisen Forschungsergebnissen hinweggefegt. Es geht den Autor/-innen nicht um Gleichsetzung von Nationalsozialismus und Faschismus. Doch das von Renzo De Felice entworfene, verharmlosende Bild eines den Juden freundlich und solidarisch gesonnenen Volkes und einer lax agierenden Bürokratie ist bei näherer Prüfung unhaltbar geworden. Die Forscher/-innen haben dabei nicht nur die Jahre der Judengesetzgebung in Italien ab 1938 im Blick, sondern gehen den Befunden vom Mittelalter mit der unseligen Tradition des katholischen Antijudaismus bis in das heutige Italien nach, verfeinern ihr Urteil insbesondere mit Blick auf die Lage der Jüdinnen und stellen einige bedeutende Repräsentantinnen sowie die weibliche Erfahrungsliteratur aus den Lagern vor.Was Italy also a country of anti-Semitism and Jewish persecution? The precise research results of this essay volume sweep away the difference between the two fascist systems in Europe of the 20th century, a theme that research has come to adore. The authors do not seek to equate National Socialism and fascism. And yet the non-threatening image of a people who are Jewish friendly and who stand in solidarity against a lax bureaucracy, an image perpetuated by Renzo De Felice, can no longer stand the test. The researchers not only focus on the years of Jewish legislations in Italy after 1938 but also examine findings on the unholy tradition of Catholic anti-Judaism in the Middle Ages to contemporary Italy. They sharpen their thesis through their specific examination of the situation of female Jews. They introduce select important female representatives and present literary experiences from the camps

Varietal resistance of oats to Puccinia Coronifera

Oats grow best in a cool, rather moist climate, and are most largely produced in the North Temperate Zone. Among the leading countries in the production of this crop are the United States, European Russia, Germany, France, Canada, Austria-Hungary, and the United Kingdom. According to the Bureau of Statistics of the United States department of Agriculture the world's production of oats is about four billion bushels annually, or about the same as that of corn or wheat. In the five year period from 1906 to 1910 the average annual production of oats in the United States was 932 million bushels or a little less than one-fourth of the world's production European Russia averaged 865 million bushels in the same period, Germany 583 million bushels, France 299 million bushels, and Canada 295 million bushels

Small Explorer Project (SMEX) Telemetry Processing Systems

International Telemetering Conference Proceedings / October 25-28, 1993 / Riviera Hotel and Convention Center, Las Vegas, NevadaThe Small Explorer (SMEX) Program at NASA's Goddard Space Flight Center (GSFC) is the first set of Goddard missions to employ Consultative Committee for Space Data Systems (CCSDS) recommended standards(1)(2) for telemetry data transmission. These international standards form the basis for much of NASA's future telemetry data system development. The GSFC's Data Systems Technology Division (DSTD) has been heavily involved with the development of systems for both flight and ground system application of these standards since 1985 (3). The result of this effort is the development of an approach which provides basic subsystem and system solutions which meet these standards. Based on this approach, a number of generic telemetry processing systems have been adapted to meet applications for the SMEX Program. Some of these applications include: the initial capture, processing, and distribution of CCSDS data for the integration and testing of the SMEX spacecraft before launch; the ground station data acquisition, processing, and transmission; local science data distribution; and other applications involving ground system testing and verification. The purpose of this paper is to describe a number of these applications and to show how generic system elements were configured and adapted to meet all of the requirements for these applications.International Foundation for TelemeteringProceedings from the International Telemetering Conference are made available by the International Foundation for Telemetering and the University of Arizona Libraries. Visit http://www.telemetry.org/index.php/contact-us if you have questions about items in this collection