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Uncertainty-aware molecular dynamics from Bayesian active learning for phase transformations and thermal transport in SiC

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npj Computational Materials 2023年第1期9卷 2000-2007页

作者： Yu Xie Jonathan Vandermause Senja Ramakers Nakib H.Protik anders johansson Boris Kozinsky John A.Paulson School of Engineering and Applied Sciences Harvard UniversityCambridgeMAUSA Department of Physics Harvard UniversityCambridgeMAUSA Corporate Sector Research and Advance Engineering Robert Bosch GmbHRenningenUSA Interdisciplinary Centre for Advanced Materials Simulation Ruhr-Universität BochumBochumGermany Robert Bosch LLC Research and Technology CenterWatertownMAUSA

Machine learning interatomic force fields are promising for combining high computational efficiency and accuracy in modeling quantum interactions and simulating atomistic *** learning methods have been recently developed to train force fields efficiently and *** them,Bayesian active learning utilizes principled uncertainty quantification to make data acquisition *** this work,we present a general Bayesian active learning workflow,where the force field is constructed from a sparse Gaussian process regression model based on atomic cluster expansion *** circumvent the high computational cost of the sparse Gaussian process uncertainty calculation,we formulate a high-performance approximate mapping of the uncertainty and demonstrate a speedup of several orders of *** demonstrate the autonomous active learning workflow by training a Bayesian force field model for silicon carbide(SiC)polymorphs in only a few days of computer time and show that pressure-induced phase transformations are accurately *** resulting model exhibits close agreement with both ab initio calculations and experimental measurements,and outperforms existing empirical models on vibrational and thermal *** active learning workflow readily generalizes to a wide range of material systems and accelerates their computational understanding.

关键词： computer thermal utilize

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金融抑制与经济结构转型

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经济研究 2013年第1期48卷 54-67页

作者：王勋 anders johansson 瑞典斯德哥尔摩经济学院中国经济研究中心

结构转型是当前世界经济面临的主要问题之一。本文在经济结构转型的模型中,研究了金融抑制对产业结构变化的影响。模型表明经济资源会随着经济增长从工业部门不断流入服务业部门,从而使得服务业的比重不断上升。而政府可以采取金融抑制... 详细信息

结构转型是当前世界经济面临的主要问题之一。本文在经济结构转型的模型中,研究了金融抑制对产业结构变化的影响。模型表明经济资源会随着经济增长从工业部门不断流入服务业部门,从而使得服务业的比重不断上升。而政府可以采取金融抑制政策阻碍结构转型过程。通过抑制服务业,保护和促进工业部门的发展,从而造成服务业占比偏低,导致国内产业结构失衡。跨国面板数据的实证结果表明,金融抑制显著阻碍了结构转型。金融抑制程度越高,经济中服务业相对于制造业的比例会越低。基于不同收入水平的国家分组数据、不同的结构变量衡量以及不同的金融抑制指标的稳健性检验支持了这一结论。文章结果表明,在有政府干预和偏好工业部门发展的国家,金融抑制是结构失衡的重要因素。

关键词：金融抑制结构转型经济发展

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Causes of Surgical Delay and Demographic Characteristics in Patients with Hip Fracture

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Open Journal of Orthopedics 2013年第4期3卷 193-198页

作者： Sjostrand Desirée Hommel Ami johansson anders Department of Clinical Sciences Lund University and Skane University HospitalLundSweden Sections of Anaesthesiology and Intensive Care Department of Clinical SciencesLund University and Skane University HospitalLundSweden

Background: Several studies analyze how surgical delay affects patients with hip fracture. The aim of this study was to identify the causes of surgical delay and demographic characteristics in patients with hip fracture who had delays longer than 24 hours from admission to hospital. Methods: Quantitative retrospective register study of 484 patients was consecutively included during the period November 1, 2010 and October 31, 2011 in the University Hospital in Lund (Sweden). Results: A frequency of 29.4% had a surgical delay longer than 24 hours. The main reasons for delays to surgery were lack of theatre facilities (54%), medical unstable patient (16%) and anticoagulant treatment (10%). Of all patients, 69% (n = 332) were women and 31% (n = 151) were men. The mean age for women were 83.6 (CI 83-85) vs. 79 (CI 77-81) for men, respectively. The most common type of hip fracture was displaced cervical hip fracture (39%, n = 188) with a majority of fractures in male patients. In total, women suffered hip fractures to a greater extent than men (69% vs. 31%, p = 0.016), but no relationship was found with respect to the fracture type and age (p = 0.358). Conclusion: The main result demonstrated that delays longer than 24 hours were due to lack of theatre facilities. Further researches have to be done in order to investigate whether lack of theatre facilities depends on improper operation planning and/or on lack of medical staff.

关键词： Orthopedics Hip Fracture Surgical Delay Register Study

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列车车轮不圆的评定

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国外铁道车辆 2011年第3期48卷 40-46页

作者： anders johansson[瑞典] 李刚（译）

对几种车轮的不圆度进行了测试,并对测试结果进行了比较分析,得出了一些结论。

关键词：车轮不圆测试瑞典

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Magnesium implant degradation provides immunomodulatory and proangiogenic effects and attenuates peri-implant fibrosis in soft tissues

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Bioactive Materials 2023年第8期26卷 353-369页

作者： Heithem Ben Amara Diana C.Martinez Furqan A.Shah Anna johansson Loo Lena Emanuelsson Birgitta Norlindh Regine Willumeit-Römer Tomasz Plocinski Wojciech Swieszkowski anders Palmquist Omar Omar Peter Thomsen Department of Biomaterials Institute of Clinical SciencesSahlgrenska AcademyUniversity of GothenburgGothenburgSweden Biomaterials Group Materials Design DivisionFaculty of Materials Science and EngineeringWarsaw University of TechnologyWarsawPoland Institute of Metallic Biomaterials Helmholtz-Zentrum HereonGeesthachtGermany

Implants made of magnesium(Mg)are increasingly employed in patients to achieve osteosynthesis while degrading in *** Mg implants and Mg^(2+)have been suggested to possess anti-inflammatory properties,the clinically observed soft tissue inflammation around Mg implants is ***,using a rat soft tissue model and a 1-28 d observation period,we determined the temporo-spatial cell distribution and behavior in relation to sequential changes of pure Mg implant surface properties and Mg^(2+)*** to nondegradable titanium(Ti)implants,Mg degradation exacerbated initial *** of Mg degradation products at the tissue-implant interface,culminating at 3 d,actively initiated chemotaxis and upregulated mRNA and protein immunomodulatory markers,particularly inducible nitric oxide synthase and toll-like receptor-4 up to 6 d,yet without a cytotoxic *** vascularization was demonstrated morphologically,preceded by high expression of vascular endothelial growth *** transition to appropriate tissue repair coincided with implant surface enrichment of Ca and P and reduced peri-implant Mg^(2+)*** implants revealed a thinner fibrous encapsulation compared with *** detailed understanding of the relationship between Mg material properties and the spatial and time-resolved cellular processes provides a basis for the interpretation of clinical observations and future tailoring of Mg implants.

关键词： Magnesium Biodegradable implants Inflammation Foreign-body reaction Gene expression Neovascularization

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Insomnia is associated to depressive symptoms in patients with chronic heart failure

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Open Journal of Nursing 2013年第1期3卷 33-41页

作者： Peter johansson anders Brostrom Department of Cardiology Linkoping University HospitalLinkopingSweden Department of Medicine and Care Division of Cardiovascular MedicineFaculty of Health SciencesLinkoping UniversityLinkopingSweden Division of Clinical Neurophysiology Linkoping University HospitalLinkopingSweden Department of Neuroscience and Locomotion Faculty of Health SciencesLinkoping UniversityLinkopingSweden

Introduction: Insomnia and depressive symptoms are common among patients with chronic heart failure (HF). Aim: The aim was to describe the prevalence of insomnia and depressive symptoms, as well as to examine the association between insomnia and depressive symptoms in patients with HF. Method: A crosssectional descriptive study including 212 patients with HF. All patients responded to questionnaires regarding sleeping difficulties (Uppsala Sleep Inventory-Chronic Heart Failure), daytime sleepiness (Epworth Sleepiness Scale) and depressive symptoms (The Mental Health Scale). Results: Patients with depressive symptoms (34%) had, compared to those without, significantly more major complaints of insomnia as indicated by the sub-types;non-restorative sleep (66% vs. 32%, p < 0.0001), difficulty in maintaining sleep (35% vs. 16%, p = 0.003), difficulty in initiating sleep (29% vs. 14%, p = 0.009) and early morning awakenings (25% vs. 10%, p = 0.004). The odds ratio (OR) to suffer from depressive symptoms;were for;non-restorative sleep 5.2 (CI 95%, 2.2 - 12.3), difficulties maintaining sleep 2.5 (CI 95%, 1.2 - 4.9), difficulties in initiating sleep 2.2 (CI 95%, 1.1 - 4.4) and early morning awakenings 2.4 (CI 95%, 1.1 - 5.4). When categorising insomnia into three severity groups, 1) non insomnia, 2) mild insomnia, and 3) severe insomnia, the OR for depressive symptoms for the mild insomnia and severe insomnia group were 2.2 (CI 95%, 1.1 - 4.2) and 7.4 (CI 95%, 2.4 - 22.8) respectively, compared to the non insomnia group. Conclusion: Insomnia is independently associated to depressive symptoms. Assessment of depressive symptoms and insomnia in patients with HF is important since treatment could be targeted to depressive symptoms only and/or to the sleep disturbance.

关键词： Congestive Heart Failure Insomnia Disorders Depressive Symptoms

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Comparison of four non-alcoholic fatty liver disease detection scores in a Caucasian population

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World Journal of Hepatology 2020年第4期12卷 149-159页

作者： Lars Lind Lars johansson Hakan Ahlstrom Jan W Eriksson anders Larsson Ulf Risérus Joel Kullberg Jan Oscarsson Department of Medical Sciences UppsalaUniversityUppsala 75185Sweden Antaros Medical AB BioVenture HubMolndal 43153Sweden Department of Surgical Sciences Uppsala UniversityUppsala 75185Sweden Department of Public Health and Caring Sciences Clinical Nutrition and Metabolism Uppsala UniversityUppsala 75122Sweden Global Medicines Development AstraZenecaMoIndal 43150Sweden

BACKGROUND Non-alcoholic fatty liver disease(NAFLD)is a common disorder,with an estimated prevalence ranging from 20%to 35%in the general *** scores based on easily measurable biochemical and clinical parameters,including the fatty liver index(FLI),hepatic steatosis index(HSI),lipid accumulation product(LAP),and NAFLD liver fat score(LFS),have been developed for the detection of ***,comparative information regarding the efficacy of these scores for predicting NAFLD in population-based samples comprising normal and high-risk individuals is *** To evaluate four NAFLD detection scores in two samples with different NAFLD *** NAFLD screening was performed in a population-based sample of 50-year-old individuals in Uppsala,Sweden[n=310;Prospective investigation of obesity,energy and metabolism(POEM)study]and a high-risk population comprising patients with a body mass index>25 kg/m2 and either high plasma triglycerides(≥1.7 mmol/L)or type 2 diabetes(n=310;EFFECT studies).NAFLD was defined as liver fat>5.5%using magnetic resonance imaging-proton density fat ***,HSI,LAP,and NAFLD LFS were assessed.A logistic regression model was used to evaluate the effectiveness of the different *** The prevalence of NAFLD was 23%in *** showed the highest receiver operating characteristic area under the curve(ROC AUC;0.82)and was significantly better than the LAP score(P=0.005 vs LAP,P=0.08 vs LFS,P=0.12 vs HSI)for detection of *** other three indices performed equally in POEM(0.77-0.78).The prevalence of NAFLD was 74%in EFFECT;LFS performed best(ROC AUC 0.80)in this *** ROC AUC for LFS(0.80)was significantly higher than that for FLI(P=0.0019)and LAP(P=0.0022),but not HSI(P=0.11).We performed a sensitivity analysis with stratification for the two high-risk subgroups(patients with diabetes or hypertriglyceridemia)from the EFFECT *** performed best in patients with *** major differences

关键词： Comparison EFFECT studies Fatty liver Non-alcoholic fatty liver disease Non-invasive indices Screening

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Synthesis of Biotinylated Galiellalactone Analogues

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International Journal of Organic Chemistry 2014年第4期4卷 225-235页

作者： Zilma Escobar Martin johansson anders Bjartell Rebecka Hellsten Olov Sterner Centre for Analysis and Synthesis Department of Chemistry Lund University Lund Sweden Division of Urological Cancers Department of Clinical Sciences Malm&ouml Lund University Malm&ouml Sweden

Two biotinylated derivatives of the fungal metabolite galiellalactone (1) were synthesized in order to facilitate the investigation of the molecular mechanism of action of the galiellalactonoids. Galiellalactone is a STAT3-signaling inhibitor that inhibits growth in vitro as well as in vivo of prostate cancer cells expressing activated STAT3. To provide a suitable point of attachment for biotin, the 8-hydroxymethyl derivative (3) and its 7-phenyl analogue 4 were synthesized by a modified tandem Pd-catalysed carbonylation and intramolecular vinyl allene Diels-Alder procedure previously developed. The two primary alcohols obtained, 3 and 4, were coupled to biotin as the 6-aminohexanoic acid amide, activated as the acid chloride, yielding the derivatives 5 and 6.

关键词： STAT3 Galiellalactone Biotin Synthesis

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A methachromatic-based experimental model for identification of bowel as the focus of an acute inflammation

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Open Journal of Gastroenterology 2013年第1期3卷 42-48页

作者： Sravya Sowdamini Nakka Jessica johansson Faisal Shahzad anders Hanning Fariba Nayeri R+D Department Institution for Protein Environmental Affinity SurveysPEAS InstitutLinkopingSweden Department of Clinical Medicine School of Health and Medical Sciencesorebro UniversityorebroSweden Episentec AB Fjallvagen L BSollentunaSweden Division of Infectious Diseases Department of Clinical and Experimental MedicineLinkoping University HospitalLinkopingSweden

Diarrhea is the most common symptom of acute inflammation in gastrointestinal tract and the patients are isolated in order to inhibit transmission and to conduct investigations. Yet there is no standard test to distinguish gastrointestinal infection from more generalized diseases at admittance which might cause delay in therapy. Hepatocyte growth factor (HGF) is produced upon injury by mesenchymal cells. On the contrary to chronic inflammation, HGF produced in the course of acute inflammation is biologically active and shows binding affinity to heparan sulphate proteoglycan (HSPG) and dextran sulphate (DS). Based on this phenomenon, an agarose gel containing DS was prepared and immobilized on loops to investigate the feces samples for the presence or absence of growth factors such as HGF with affinity to DS. The study is conducted as a clinical evaluation of an experimental model to distinguish acute infectious gastroenteritis from other causes of diarrhea. 656 fecal samples gathered consequently from patients seeking for bowel disturbances and healthy were tested by the test and the medical reports were investigated. Upon interaction with DS, methylene blue changes color to pink. This phenomenon was inhibited by HGF and converted by addition of anti-HGF antibodies to the samples. The test distinguished acute infectious gastroenteritis with high sensitivity and specificity (96% and 92% respectively) from other causes of diarrhea. We introduce a metachromatic experimental model that might distinguish acute inflammation in alimentary tract from other causes of diarrhea. This model might be used in developing rapid diagnostic tests.

关键词： Gastroenteritis Hepatocyte Growth Factor HSPG Metachromasy Rapid Test

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采用振打时改变整流变压器供电功率的极板振打方式即降功率振打和使用SIR高频直流供电技术能有效地降低中国火电厂电除尘器的排放

采用振打时改变整流变压器供电功率的极板振打方式即降功率振打和...

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第十一届全国电除尘学术会议

作者： Manin Kirsten Tobias johansson anders Karlsson Christer Mauritzson 王嵬阿尔斯通瑞典电厂服务部阿尔斯通中国电厂服务部

中国大陆的经济快速发展是一个值得骄傲的事实。每年国民生产总值以10%的阶梯增长带动了中国电力生产的大量投资和快速发展。当前电力市场装机容量的增长速度为每星期近1000MW。大量的新建火力发电机组带动了中国电除尘器制造业的发展...

中国大陆的经济快速发展是一个值得骄傲的事实。每年国民生产总值以10%的阶梯增长带动了中国电力生产的大量投资和快速发展。当前电力市场装机容量的增长速度为每星期近1000MW。大量的新建火力发电机组带动了中国电除尘器制造业的发展但同时也忽视了提高已投运机组电除尘器的除尘效率。通过优化现有机组电除尘器的运行,我们可以提高电除尘器的收尘效率并降低电除尘器的排放。我们通过以下几种方式降低电除尘器的排放:使用降功率振打优化软件保持阳极板的清洁并减少烟囱的排放,对低灰比电阻排放可以降到 30%,并且对于高灰比电阻的灰尘排放可以降到更多。整流变压器电控部分使用避免反电晕产生的优化软件,找到合适的间歇供电比和最佳的二次电流值。采用半个周波连续采样32次二次电流和二次电压的方法进行连续性分析的控制器。对电场进行自适应式的连续优化控制,它会随着电场中灰尘和工况的变化而连续性的进行电场优化,寻找最佳充电比和充电电流向电场充电,这对于高灰比电阻的灰尘来说,并放通常降低50%以上,同时又能达到节能的效果。90%以上的整流变压器节能是通过验证可以达到的。 SIR(switch:高频开关切换;Intergrated 一体化控制包括振打、加热、高压整流变;Rectifier:整流器) 是基于高频切换技术的高压直流设备。与传统的 T/R 高压整流变相比它能够向电场注入平滑无纹的直流电能。将 SIR 装在第一电场并结合我们的降功率振打优化,它将极大地提高第一电场中的二次电流更有助于提高电除尘器的收尘效率,在降低排放的同时并延长了电除尘器本体的寿命。在中国各行业电除尘器电控部分的应用中, 我们的高新技术产品 SIR 高频直流电源能够改善当前电除尘器运行的性能并能够提高除尘效率,我们的这篇文章将会充分地阐述它的原因。

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