Configuration sampling in multi-component multi-sublattice systems enabled by ab Initio Configuration Sampling Toolkit (abICS)

Simulation of the intermediate levels of disorder found in multi-component multi-sublattice systems in various functional materials is a challenging issue, even for state-of-the-art methodologies based on first-principles calculation. Here, we introduce our open-source package ab Initio Configuration Sampling Toolkit (abICS), which combines high-throughput first-principles calculations, machine learning, and parallel extended ensemble sampling in an active learning setting to enable such simulations. The theoretical background is reviewed in some detail followed by brief notes on usage of the software. In addition, our recent applications of abICS to multi-component ionic systems and their interfaces for energy applications are reviewed as demonstration of the power of this approach.Comment: 25 pages, 6 figure

Two-dimensional fluid viscosity measurement in microchannel flow using fluorescence polarization imaging

This study describes the development of a noncontact and two-dimensional fluid viscosity measurement technique based on fluorescence polarization microscopy. This technique exploits fluorescence depolarization due to rotational Brownian motion of fluorophores and determines fluid viscosity in microchannel flow by measuring steady-state fluorescence polarization. The main advantage of the technique is that planar distributions of fluid viscosity can be visualized by noncontact optical measurement, while commonly-used mechanical viscometers measure the viscosity of bulk liquids. Moreover, steady-state polarization measurements are realized using a simpler experimental setup compared to other noncontact techniques such as time-resolved fluorescence lifetime/polarization measurements. The relationship between the fluid viscosity (μ) and the fluorescence polarization degree () was experimentally obtained using casein molecules labeled with fluorescein isothiocyanate as a fluorescent probe. The fluid viscosity was controlled within the range of 0.7-3.0 mPa s, which is the range often encountered in biological materials, by mixing sucrose or glucose with the solution. The fluid temperature was maintained uniform at 30 °C during the measurement. The calibration result showed that 1/ linearly increased with 1/μ which qualitatively agreed well with the theoretical prediction. The measurement uncertainty was 7.5%-9.5% based on the slope of the calibration curve. The viscosity gradient generated by the mass diffusion between the two solutions co-flowing in the Y-shaped microchannel was clearly visualized under uniform temperature conditions by applying the calibration curve. Finally, the influence of the temperature change on was experimentally evaluated. The results supported the applicability of the present technique for visualization of the viscosity distribution induced by temperature change. These results confirmed the feasibility of the present technique for analyzing microscale viscosity fields associated with mass transport or temperature change

Konfigurering och ibruktagning av KNX system

Detta examensarbete behandlar grunderna i KNX samt programmering av KNX enheter med datorprogrammet ETS 4. I arbetet beskrivs hur KNX systemet fungerar, hur det är uppbyggt och de olika överföringsmedium som kan användas då KNX enheter kommunicerar. Jag beskriver också hur ETS 4 installeras på datorn och hur man kommer igång med programmeringen av KNX enheterna. Inför detta examensarbete har jag studerat en del av ABB:s KNX enheter samt deras funktioner och konfigurationsmöjligheter. Syftet med detta examensarbete är att skapa en liten handbok för hur ett KNX system är uppbyggt samt hur KNX enheterna programmeras med ETS 4.Tämä opinnäytetyö käsittelee KNX:n perusteita ja KNX-laitteiden ohjelmointia ETS 4 tietokoneohjelman avulla. Työssä kuvaillaan, miten KNX-järjestelmä toimii, millä tavalla se on rakennettu sekä mitä eri siirtomedioita voidaan käyttää KNX-laitteiden viestinnässä. Työssä kuvaillaan myös, miten ETS-ohjelma asennetaan tietokoneella ja miten päästään aloittamaan KNX-laitteiden ohjelmointi. Ennen tätä opinnäytetyötä kirjoittaja on opiskellut ABB:n KNX-laitteita sekä niiden toimintoja ja konfiguraatiomahdollisuuksia. Opinnäytetyön tarkoituksena on tehdä pieni käsikirja, joka kertoo, miten KNX- järjestelmä on rakennettu sekä millä tavalla KNX-laitteet ohjelmoidaan ETS 4:llä.In this thesis I deal with the basics of KNX as well as the programming of KNX devices with the computer software ETS 4. In the thesis I describe how the KNX system works, how it is built and the different communication media that are used for communication between KNX devices. I also describe how ETS 4 is installed on a personal computer and how to get started with the programming of the KNX devices. When preparing for this thesis I studied a part of ABB’s KNX devices, their functions as well as their configuration possibilities. The purpose of this thesis is to create a small manual that can be used to see how a KNX system is built and to check how KNX devices are programmed with ETS 4

Monivammapotilaan kivunhoito

Tämän opinnäytetyön tarkoituksena oli kartoittaa monivammapotilaan kivunhoitoa ennen sairaalaan tuloa, sairaalassa ja kotona systemaattista kirjallisuuskatsausta soveltaen. Tavoitteena on edistää monivammapotilaan kivunhoitoa. Opinnäytetyöhön valikoitui analysoitavaksi 38 (=n) julkaisua. Monivammapotilaan kivunhoito vaatii moniammatillista osaamista ja yhteistyötä. Kivunhoidon oleellisena osana on kivun arviointi. Kipua voidaan arvioida erilaisin mittarein, kuten sanallinen asteikko (VRS), numeroasteikko (NRS) ja visuaalianalogiasteikko (VAS). Potilaan ollessa tajuton, kivunarviointi muuttuu haasteellisemmaksi, sillä silloin mittareita ei voida käyttää. Monivammapotilaan kipua hoidetaan pääsääntöisesti lääkkeillä. Keskeisimpiä lääkkeitä ovat tulehduskipulääkkeet, parasetamoli ja opioidit. Lääkkeettömiä kivunhoitomuotoja kuten asentohoito, fysikaaliset hoitomuodot, hengitysharjoitukset, musiikin kuuntelu, rentoutumis- ja mielikuvaharjoitukset, käytetään myös, mutta ne ovat tehokkaampia yhdistettynä lääkkeelliseen kivunhoitoon. Lääkehoito koostuu monen lääkeryhmän yhdistelmistä eli multimodaalisesta kivunhoidosta. Puudutteet ovat keskeinen osa monivammapotilaan kivunhoitoa, sillä ne vähentävät huomattavasti opioidien käyttöä. Kivunhoito on tasapainoilua potilaan kivuttomuuden ja kivunhoidon haittavaikutuksien välillä. Potilaan kivunhoito jatkuu koko hoidon ajan, myös kotiutumisen jälkeen. Kivunhoito on potilaan oikeus eikä ole olemassa mitään pätevää syytä jättää kipua hoitamatta. Monivammapotilaat ovat todella kivuliaita, joten kivun hoidon tutkiminen ja kehittäminen on tärkeää. Tehokkaalla kivunhoidolla voidaan ehkäistä kivun kroonistumista.The purpose of this thesis is to improve multi-trauma patients pain management before coming to a hospital, in hospital and at home by using a systematic literature review. The aim is to improve multi-trauma patient’s pain management. There was 38(=n) publications chosen for this thesis. The pain management of a multi-trauma patient requires multi-professional expertise and cooperation. An essential part of pain management is assessment of pain. The pain can be assessed with different kind of rating scales for example verbal rating scale (VRS), numeric rating scale (NRS) and visual analog scale (VAS). When patient is being unconscious assessment of pain becomes challenging so the rating scales cannot be used. The pain of a multi-trauma patient is mainly managed with medicine. The most common medicines are inflammatory drugs, paracetamol and opioids. Drug-free pain management formats such as position management, physical therapies, breathing exercises, listening to music, relaxing and imagination exercises are used but they are more effective combined with medicinal pain management. Medication consist of the combination of different drug groups called multimodal pain management. Regional anesthetics are a key part of the pain management of a multi-trauma patient because regional anesthetics reduce remarkably the use of opioids. Pain management is balancing between painless and side effects pain management. The pain management of the patient goes through the whole care also after discharging from hospital. Pain management is the patients right and there is no competent reason to not treat the pain. Multi-trauma patients are in a high amount of pain so the study and development of pain management is really important. With efficient pain management you can anticipate chronical pain

Proposal for measuring magnetism with patterned apertures

We propose a magnetic measurement method utilizing a patterned post-sample aperture in a transmission electron microscope. While utilizing electron magnetic circular dichroism, the method circumvents previous needs to shape the electron probe to an electron vortex beam or astigmatic beam. The method can be implemented in standard scanning transmission electron microscopes by replacing the spectrometer entrance aperture with a specially shaped aperture, hereafter called ventilator aperture. The proposed setup is expected to work across the whole range of beam sizes -- from wide parallel beams down to atomic resolution magnetic spectrum imaging.Comment: 6 pages, 4 figure

H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation

H-wave is an open-source software package for performing the Hartree--Fock approximation (HFA) and random phase approximation (RPA) for a wide range of Hamiltonians of interacting fermionic systems. In HFA calculations, H-wave examines the stability of several symmetry-broken phases, such as anti-ferromagnetic and charge-ordered phases, in the given Hamiltonians at zero and finite temperatures. Furthermore, H-wave calculates the dynamical susceptibilities using RPA to examine the instability toward the symmetry-broken phases. By preparing a simple input file for specifying the Hamiltonians, users can perform HFA and RPA for standard Hamiltonians in condensed matter physics, such as the Hubbard model and its extensions. Additionally, users can use a Wannier90-like format to specify fermionic Hamiltonians. A Wannier90 format is implemented in RESPACK to derive ab initio Hamiltonians for solids. HFA and RPA for the ab initio Hamiltonians can be easily performed using H-wave. In this paper, we first explain the basis of HFA and RPA, and the basic usage of H-wave, including download and installation. Thereafter, the input file formats implemented in H-wave, including the Wannier90-like format for specifying the interacting fermionic Hamiltonians, are discussed. Finally, we present several examples of H-wave such as zero-temperature HFA calculations for the extended Hubbard model on a square lattice, finite-temperature HFA calculations for the Hubbard model on a cubic lattice, and RPA in the extended Hubbard model on a square lattice.Comment: 15 pages, 7 figure

Measurement of brain concentration of FK960 for development of a novel antidementia drug: A PET study in conscious rhesus monkeys

金沢大学大学院医学系研究科This study used PET to measure the time course of the brain concentration of 18F-labeled N-(4-acetyl-1-piperazinyl)-p-fluorobenzamide monohydrate (FK960), a novel antidementia drug, after oral administration to conscious rhesus monkeys. Methods: Three young-adult male rhesus monkeys were tested. FK960 (0.1 mg/kg) containing about 370 MBq of 18F-FK960 was administered orally to each monkey. Dynamic PET images were acquired for 4 h from 5 min after the administration. Arterial blood samples were withdrawn during PET scanning and were analyzed by an automatic well γ-counter and thin-layer chromatography to determine the time course of authentic 18F-FK960 activity concentration in plasma. FK960 concentrations in brain and plasma were calculated in units of mol/L using the specific activity of FK960 preparations. Results: 18F-FK960 penetrated the blood-brain barrier and underwent perfusion-dependent distribution in the entire brain. Maximal concentrations in the brain and plasma were 1.11 ± 0.30 x 10-7 mol/L (at 3.0 ± 0.6 h after administration) and 4.04 ± 1.29 x 10-7 mol/L (at 2.0 ± 1.1 h after administration), respectively. Conclusion: We succeeded in measuring the FK960 concentration in the brains of conscious monkeys and in plasma after oral administration at a dose of 0.1 mg/kg. The results suggested that this method can measure the FK960 concentration in the human brain, and a potential use of the PET technique in drug development was demonstrated

Extreme deformability of insect cell membranes is governed by phospholipid scrambling

昆虫の細胞は柔らかい！ --細胞膜を柔らかくするタンパク質を発見--. 京都大学プレスリリース. 2021-06-09.Organization of dynamic cellular structure is crucial for a variety of cellular functions. In this study, we report that Drosophila and Aedes have highly elastic cell membranes with extremely low membrane tension and high resistance to mechanical stress. In contrast to other eukaryotic cells, phospholipids are symmetrically distributed between the bilayer leaflets of the insect plasma membrane, where phospholipid scramblase (XKR) that disrupts the lipid asymmetry is constitutively active. We also demonstrate that XKR-facilitated phospholipid scrambling promotes the deformability of cell membranes by regulating both actin cortex dynamics and mechanical properties of the phospholipid bilayer. Moreover, XKR-mediated construction of elastic cell membranes is essential for hemocyte circulation in the Drosophila cardiovascular system. Deformation of mammalian cells is also enhanced by the expression of Aedes XKR, and thus phospholipid scrambling may contribute to formation of highly deformable cell membranes in a variety of living eukaryotic cells