First-principles calculation of the thermoelectric figure of merit for [2,2]paracyclophane-based single-molecule junctions

Here we present a theoretical study of the thermoelectric transport through {[}2,2{]}para\-cyclo\-phane-based single-molecule junctions. Combining electronic and vibrational structures, obtained from density functional theory (DFT), with nonequilibrium Green's function techniques, allows us to treat both electronic and phononic transport properties at a first-principles level. For the electronic part, we include an approximate self-energy correction, based on the DFT+$\Sigma$ approach. This enables us to make a reliable prediction of all linear response transport coefficients entering the thermoelectric figure of merit $ZT$. Paracyclophane derivatives offer a great flexibility in tuning their chemical properties by attaching different functional groups. We show that, for the specific molecule, the functional groups mainly influence the thermopower, allowing to tune its sign and absolute value. We predict that the functionalization of the bare paracyclophane leads to a largely enhanced electronic contribution $Z_{\mathrm{el}}T$ to the figure of merit. Nevertheless, the high phononic contribution to the thermal conductance strongly suppresses $ZT$. Our work demonstrates the importance to include the phonon thermal conductance for any realistic estimate of the $ZT$ for off-resonant molecular transport junctions. In addition, it shows the possibility of a chemical tuning of the thermoelectric properties for a series of available molecules, leading to equally performing hole- and electron-conducting junctions based on the same molecular framework.Comment: 8 pages, 7 figure

Wie digitale Hilfsmittel die Pflege unterstützen

Wie wirkt sich der Einsatz digitaler Hilfsmittel und klinischer Informationssysteme auf die Weitergabe von Patienteninformationen aus? Wie können Pflegefachpersonen für den sachgerechten Umgang mit digitalen Geräten und Anwendungen ausgebildet werden? Diese Fragen untersuchen Thomas Bürkle und seine Kolleg*innen von der BFH Technik & Informatik im Projekt «Digi-Care»

Using Robots in Medical Informatics Education

Although robots have been used for quite some time in education on school and university level, we found no reports of robots being used in the teaching of medical informatics. Thus we present the timetable and structure of a one week, 2 ECTS blocked course for robots in medical informatics initiated in autumn 2022. 19 participants completed the first iteration. We report about the requirements in terms of an appropriate programming environment, the combination among robots and our medical informatics lab and the results of the student’s evaluation of the first instance as well as the experiences with the two types of robots used

An Interoperable Resuscitation Registry for the University Hospital of Bern.

During resuscitation, the patient is the primary focus with the documentation of actions and outcomes being secondary. In most cases, a cardiac event leads to further treatment or hospitalization, in which complex patient pathways, independent documentation systems and information loss represent the key challenges for successful quality management. Hence, the need for a system that takes all these aspects into account. Market research, system analysis and requirements engineering for such a solution were performed and a prototype was created. A complete reference architecture for a web-based electronic data capture system was developed and implemented that enables healthcare professionals to enter resuscitation-relevant data uniformly and store it centrally in compliance with human research legislation. A qualitative evaluation concerning the process flows of the as-is and the to-be situation suggests that there is potential to achieve benefits in the form of improved data quality and quantity

Current Reasons for Not Using Clinical Pathways in Practice

Clinical pathways are often promoted as the holy grail of efficient healthcare provision. However, our experiences during the Swiss research project Hospital of the Future demonstrated that most Swiss hospitals do not implement clinical pathways in the sense of '… a document describing the common process of a multidisciplinary treatment for a particular type of patient'. In this paper, we will discuss reasons for the lack of pathway implementations. We differentiate between three different categories of explanations: (i) organization-specific impediments, (ii) environmental hurdles, and (iii) inherent problems of clinical pathways. Without additional support and regulation by the policy maker, it seems rather unlikely that an increase of pathway implementations will take place in the near-future in Switzerland

Exchanging Appointment Data Among Healthcare Institutions

The introduction of national electronic patient records such as the electronic patient dossier EPD in Switzerland provides a new basis for digitizing healthcare processes at a national level. One process however, that is currently neglected within the Swiss EPD, is the scheduling process in healthcare. The objective of this work is to analyze the appointment scheduling process and the involved IT systems in order to develop an appointment data structure and a concept for cross-institutional exchange of appointment data. The analysis showed that various outpatient and inpatient information systems support appointment booking through proprietary solutions. A true standard for appointment data exchange is missing. We suggest an appointment data structure and a corresponding data exchange process based on the FHIR standard. In its current implementation, the Swiss EPD does not support this proposed appointment scheduling process. We discuss how potential additions such as the IHE Care Services Discovery (CSD) profile can provide better compatibility

Blockchain sichert den Datenaustausch im Gesundheitswesen

Mit der digitalen Sicherheitstechnologie können nicht nur elektronische Patientendossiers geführt werden sondern auch die Zusammenarbeit zwischen den medizinischen AkteurInnen vertraulich realisiert werden. Ein Fachbeitrag über die möglichen Anwendungen im Gesundheitswesen von zwei Medizininformatikern der BFH

Streamlining Hospital IT - Improving the Admission Process

We analyzed the admission workflow in three Swiss hospitals of different size for normal and emergency admissions. Our goal was to detect shortcomings mainly in the administrative admission process due to media breaks. We obtained 9 different workflows (three per hospital) and a total of 22 shortcomings in the admission process which were present or likely in two or more of the hospitals. A considerable number could be traced back to missing information requiring time consuming extra work. We drafted five potential IT-based workflow changes and made, together with the hospital partners, a cost-benefit analysis which solution would be most interesting. As a result, a concept for an open multi center hospital admission portal was drafted, which, in theory, should influence 8 of the 22 problems found. Specifically, the prototype of the portal was designed for a direct triangular interaction between the referring doctor, the patient and the hospital staff

An electronic health record to support patients and institutions of the health care system

The department of Medical Informatics of the University Hospital Münster and the Gesakon GmbH (an university offspring) initiated the cooperative development of an electronic health record (EHR) called "akteonline.de" in 2000. From 2001 onwards several clinics of the university hospital have already offered this EHR (within pilot projects) as an additional service to selected subsets of their patients. Based on the experiences of those pilot projects the system architecture and the basic data model underwent several evolutionary enhancements, e.g. implementations of electronic interfaces to other clinical systems (considering for example data interchange methods like the Clinical Document Architecture - standardized within the HL7 group - and also interfacing architectures of German GP systems, such as VCS and D2D). "akteonline.de" in its current structure supports patients as well as health care professionals and aims at providing a collaborative health information system which perfectly supports the clinical workflow even across institutional boundaries and including the patient himself. Since such an EHR needs to strictly fulfill high data security and data protection requirements, a complex authorization and access control component has been included. Furthermore the EHR data are encrypted within the database itself and during their transfer across the internet