How to integrate geochemistry at affordable costs into reactive transport for large-scale systems: Abstract Book

This international workshop entitled “How to integrate geochemistry at affordable costs into reac-tive transport for large-scale systems” was organized by the Institute of Resource Ecology of the Helmholtz-Zentrum Dresden Rossendorf in Feb-ruary 2020. A mechanistic understanding and building on that an appropriate modelling of geochemical processes is essential for reliably predicting contaminant transport in groundwater systems, but also in many other cases where migration of hazardous substances is expected and consequently has to be assessed and limited. In case of already present contaminations, such modelling may help to quantify the threads and to support the development and application of suitable remediation measures. Typical application areas are nuclear waste disposal, environmental remediation, mining and milling, carbon capture & storage, or geothermal energy production. Experts from these fields were brought together to discuss large-scale reactive transport modelling (RTM) because the scales covered by such pre-dictions may reach up to one million year and dozens of kilometers. Full-fledged incorporation of geochemical processes, e.g. sorption, precipitation, or redox reactions (to name just a few important basic processes) will thus create inacceptable long computing times. As an effective way to integrate geochemistry at affordable costs into RTM different geochemical concepts (e.g. multidimensional look-up tables, surrogate functions, machine learning, utilization of uncertainty and sensitivity analysis etc.) exist and were extensively discussed throughout the workshop. During the 3-day program of the workshop keynote and regular lectures from experts in the field, a poster session, and a radio lab tour had been offered. In total, 40 scientists from 28 re-search institutes and 8 countries participated

Dynamic distribution of SeqA protein across the chromosome of Escherichia coli K-12

The bacterial SeqA protein binds to hemi-methylated GATC sequences that arise in newly synthesized DNA upon passage of the replication machinery. In Escherichia coli K-12, the single replication origin oriC is a well-characterized target for SeqA, which binds to multiple hemi-methylated GATC sequences immediately after replication has initiated. This sequesters oriC, thereby preventing reinitiation of replication. However, the genome-wide DNA binding properties of SeqA are unknown, and hence, here, we describe a study of the binding of SeqA across the entire Escherichia coli K-12 chromosome, using chromatin immunoprecipitation in combination with DNA microarrays. Our data show that SeqA binding correlates with the frequency and spacing of GATC sequences across the entire genome. Less SeqA is found in highly transcribed regions, as well as in the ter macrodomain. Using synchronized cultures, we show that SeqA distribution differs with the cell cycle. SeqA remains bound to some targets after replication has ceased, and these targets locate to genes encoding factors involved in nucleotide metabolism, chromosome replication, and methyl transfer. IMPORTANCE DNA replication in bacteria is a highly regulated process. In many bacteria, a protein called SeqA plays a key role by binding to newly replicated DNA. Thus, at the origin of DNA replication, SeqA binding blocks premature reinitiation of replication rounds. Although most investigators have focused on the role of SeqA at replication origins, it has long been suspected that SeqA has a more pervasive role. In this study, we describe how we have been able to identify scores of targets, across the entire Escherichia coli chromosome, to which SeqA binds. Using synchronously growing cells, we show that the distribution of SeqA between these targets alters as replication of the chromosome progresses. This suggests that sequential changes in SeqA distribution orchestrate a program of gene expression that ensures coordinated DNA replication and cell division

Data compilation and evaluation for U(IV) and U(VI) for the Thermodynamic Reference Database THEREDA

THEREDA (Thermodynamic Reference Database) is a collaborative project, which has been addressed this challenge. The partners are Helmholtz-Zentrum Dresden-Rossendorf, Karlsruhe Institute of Technology (KIT-INE), Gesellschaft für Anlagen- und Reaktorsicherheit Braunschweig mbH (GRS), TU Bergakademie Freiberg (TUBAF) and AF-Consult Switzerland AG (Baden, Switzerland). The aim of the project is the establishment of a consistent and quality assured database for all safety relevant elements, temperature and pressure ranges, with its focus on saline systems. This implied the use of the Pitzer approach to compute activity coefficients suitable for such conditions. Data access is possible via commonly available internet browsers under the address http://www.thereda.de. One part of the project - the data collection and evaluation for uranium – was a task of the Helmholtz-Zentrum Dresden-Rossendorf. The aquatic chemistry and thermodynamics of U(VI) and U(IV) is of great importance for geochemical modelling in repository-relevant systems. The OECD/NEA Thermochemical Database (NEA TDB) compilation is the major source for thermodynamic data of the aqueous and solid uranium species, even though this data selection does not utilize the Pitzer model for the ionic strength effect correction. As a result of the very stringent quality demands, the NEA TDB is rather restrictive and therefore incomplete for extensive modelling calculations of real systems. Therefore, the THEREDA compilation includes additional thermodynamic data of solid secondary phases formed in the waste material, the backfill and the host rock, though falling into quality assessment (QA) categories of lower accuracy. The data review process prefers log K values from solubility experiments (if available) to those calculated from thermochemical data

Development of a Mineral-Specific Sorption Database for Surface Complexation Modeling (Final Report and Manual)

RES³T - the Rossendorf Expert System for Surface and Sorption Thermodynamics - is a digitized thermodynamic sorption database, implemented as a relational database. It is mineral-specific and can therefore also be used for additive models of more complex solid phases such as rocks or soils. An integrated user interface helps users to access selected mineral and sorption data, to extract internally consistent data sets for sorption modeling, and to export them into formats suitable for other modeling software. Data records comprise of mineral properties, specific surface area values, characteristics of surface binding sites and their protolysis, sorption ligand information, and surface complexation reactions. An extensive bibliography is also included, providing links not only to the above listed data items, but also to background information concerning surface complexation model theories, surface species evidence, and sorption experiment techniques. The RES³T database is intended for an international use. This requires high standards in availability, consistency and actuality. Therefore the authors of the database decided to couple the database onto an authorization tool

400 Jahre englische Taufnamenforschung: Der Anfang mit William Camdens Remaines of a Greater Worke (1605)

William CAMDEN launched the study of English Christian names 400 years ago. In the chapter 'Christian Names.' of his book Remaines of a Greater Worke(1605) he gives an account of the most important aspects of Christian names and presents two lists of those Christian names common at the time. CAMDEN not only exploits English scholarship but above all draws considerably upon Continental scholarship. It is his 'comparative' and source-based approach to Christian names that makes the aforementioned chapter a worthy pioneering work on English Christian names

Alters- und berufsspezifische Unterschiede für das Auftreten von Arbeitsunfähigkeit aufgrund ausgewählter Herz-Kreislauf- sowie Muskel-Skelett-Erkrankungen

Hintergrund/Zielsetzung Herz-Kreislauf-Erkrankungen (HKE) als auch Muskel-Skelett-Erkrankungen (MSE) sind für einen Großteil der Morbidität (erstere auch der Mortalität) in der Bevölkerung verantwortlich. In der berufstätigen Bevölkerung führen diese Erkrankungen häufig zu Arbeitsunfähigkeit (AU). Diese ist von der beruflichen Tätigkeit und der damit verbundenen Arbeitsbelastung abhängig. Mit dieser Untersuchung soll für einzelne Diagnosen geklärt werden, ob die Anzahl von AU-Fällen in besonders betroffenen Berufsgruppen abhängig vom Lebensalter variiert. Dafür wurden akute und chronische Erkrankungen (ICD-10-Diagnosen) ausgewählt: Essenzielle (primäre) Hypertonie (I10), Akuter Myokardinfarkt (I21), Varizen der unteren Extremitäten (I83), Kniegelenksarthrosen (M17) und Rückenschmerzen (M54). Methodik Die Untersuchungen basieren auf einer Sekundärdatenanalyse von AU-Daten fast aller gesetzlichen Krankenkassen Deutschlands aus dem Jahr 2008. Der Datenbestand enthält geschlechtsstratifizierte, aggregierte Angaben von 26,2 Mio. gesetzlich pflichtversicherten Erwerbstätigen (13,5 Mio. Männer und 12,7 Mio. Frauen) zur AU aufgrund von HKE und MSE. Zielgröße sind AU-Fälle aufgrund der ICD-Diagnosen I10, I21, I83, M17 und M54. Als Expositionsvariable wird die Zugehörigkeit zu den Berufsgruppen nach Blossfeld (1985) verwendet. Berechnet werden indirekt standardisierte Morbiditätsratios (SMR) für AU-Ereignisse stratifiziert nach Geschlecht (männlich, weiblich) und Alter (fünf Altersklassen) mit 99,99 % Konfidenzintervallen. Ergebnisse Die Häufigkeit von AU-Fällen steigt mit dem Alter für alle untersuchten Diagnosen an. Beschäftigte beider Geschlechter in qualifizierten und gering qualifizierten manuellen Berufen sowie gering qualifizierten Dienstleistungsberufen sind besonders häufig aufgrund von HKE und MSE arbeitsunfähig. Teilweise tritt in diesen Berufsgruppen eine mehrfach erhöhte Anzahl von AU-Fällen gegenüber der Vergleichsgruppe der qualifizierten kaufmännischen und Verwaltungsberufe auf. Die höchsten Werte wer-den für Rückenschmerzen in gering qualifizierten manuellen Berufen, bezogen auf die Vergleichsgruppe, gesehen (SMR: Männer 2,45 und Frauen 2,31). Bei Stratifikation nach dem Lebensalter (in 10-Jahres-Strata) sind Variationen der Effekte über das Alter für alle Altersklassen ab 25 Jahren mit Maxima in den Altersklassen zwischen 25 und 44 Jahren nachweisbar. Die Annäherung an die Vergleichsgruppe im höheren Alter kann durch einen Healthy-Worker-Effekt erklärt werden. Schlussfolgerung In Zukunft sind mehr ältere Erwerbstätige und somit mehr AU-Fälle zu erwarten. Da die Unterschiede zwischen den Berufsgruppen schon im jüngeren Alter zu sehen sind, ist eine primäre und sekundäre Prävention von HKE und MSE in allen Altersklassen dringend zu empfehlen. Dies gilt auch im beruflichen Setting wobei Beschäftigte in manuellen sowie in gering qualifizierten Berufen besonders beachtet werden sollten.Aim/Background Cardiovascular diseases as well as musculoskeletal diseases are responsible for a large part of morbidity in the population, the former also for mortality. In the working population, these diseases often lead to sick leave. Sick leave depends on the occupa-tional activity and the associated workload. This study aims to clarify whether occupa-tional specific differences in the incidence of sick leave due to specific codes vary de-pending on age. For this, acute and chronic diseases (ICD-10 codes) were selected: essential (primary) hypertension (I10), acute myocardial infarction (I21), varicose veins of lower extremities (I83), osteoarthritis of knee (M17) and dorsalgia (M54). Methodology The study is based on a secondary data analysis of sick leave data from most of all statutory health insurance providers in Germany in 2008. This data base consists of sex-stratified aggregated data of 26.2 million compulsorily insured working persons (13.5 million men and 12.7 million women). The number of sick leave events stratified by sex and age were calculated based on ICD codes I10, I21, I83, M17 and M54. The assignment to the occupational groups according to Blossfeld (1985) was used as ex-posure variable. Indirectly standardized morbidity ratios for the events of sick leave stratified by sex (male, female) and age (five age groups) with 99.99 % confidence in-tervals were estimated. Results The frequency of sick leave events increases with age in all diseases examined. Em-ployees of both sexes in qualified and low-skilled manual jobs as well as low-skilled service jobs are particularly often unable to work due to cardiovascular and musculo-skeletal diseases. In these three occupational groups there is often a multiple increase in the number of sick leave cases in relation to the comparison group (qualified com-mercial and administrative professions). The highest values are observed for back pain in low-skilled manual jobs related to the comparison group (SMR: men 2.45 and wom-en 2.31). With stratification according to age (in 10-year strata) for all age groups from 25 years on, variations in the effects over age can be demonstrated. The maximum ef-fects are in the age groups between 25 and 44 years. The convergence in old age can be explained by healthy worker effect. Discussion/Conclusion As workers in general can be expected to be older in the future, primary and secondary prevention of cardiovascular and musculoskeletal diseases in all age groups is strongly recommended. This also applies to the occupational setting, whereby special attention to employees in manual as well as low-skilled jobs should be paid

Territorialisation – un concept de l'historiographie allemande

Alors que les médiévistes français ont une notion assez large du mot «territoire», leurs homologues allemands réservent plutôt l'usage du terme aux seigneuries territoriales du Saint-Empire. La «territorialisation», autrement dit la formation de ces entités politiques, dont les débuts se situeraient au XIIe siècle, est considérée traditionnellement comme une question clé de l'histoire médiévale allemande: C'est dans le cadre des «territoires» et non de l'Empire que s'est développé l'État moderne. La communication retrace la genèse des concepts de territoire et de territorialisation dans l'historiographie allemande depuis le XVIIe siècle jusqu'à nos jours. Un accent particulier est mis sur les paradigmes créés par les représentants de l'histoire du droit (Rechtsgeschichte) et de l'histoire constitutionnelle (Verfassungsgeschichte) de la première moitié du XXe siècle