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AI powered, automated discovery of polymer membranes for carbon capture

npj Computational Materials 2023年第1期9卷 966-976页

作者： Ronaldo Giro Hsianghan Hsu Akihiro Kishimoto Toshiyuki Hama Rodrigo F.Neumann binquan Luan Seiji Takeda Lisa Hamada mathias b.steiner IbM Research Av.República do Chile330CEP 20031-170 Rio de JaneiroRJBrazil IbM Research 7-7Shin-KawasakiSaiwai-KuKawasakiKanagawa 212-0032Japan IbM Research 1101 Kitchawan Road PO Box 218Yorktown HeightsNY 10598-0218USA

The generation of molecules with artificial intelligence(AI)or,more specifically,machine learning(ML),is poised to revolutionize materials *** applications range from development of potent drugs to efficient carbon capture and separation ***,existing computational discovery frameworks for polymer membranes lack automated training data creation,generative design,and physical performance validation at meso-scale where complex properties of amorphous materials *** methodological gaps are less relevant to the ML design of individual molecules such as the monomers which constitute the building blocks of ***,we report automated discovery of complex materials through inverse molecular design which is informed by meso-scale target features and process *** have explored the multi-scale discovery regime by computationally generating and validating hundreds of polymer candidates designed for application in post-combustion carbon dioxide ***,we have validated each discovery step,from training dataset creation,via graph-based generative design of optimized monomer units,to molecular dynamics simulation of gas permeation through the polymer *** the latter,we have devised a representative elementary volume(REV)enabling permeability simulations at about 1000×the volume of an individual,ML-generated monomer,obtaining quantitative *** discovery-to-validation time per polymer candidate is on the order of 100 h using one CPU and one GPU,offering a computational screening alternative prior to lab validation.

关键词： monomer latter elementary

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Lithium beyond psychiatric indications:the reincarnation of a new old drug

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Neural Regeneration Research 2021年第12期16卷 2383-2387页

作者： Matteo Haupt mathias bähr Thorsten R.Doeppner University Medical Center Göttingen Department of NeurologyGöttingenGermany

Lithium has been used in the treatment of bipolar disorders for decades,but the exact mechanisms of action remain elusive to this *** evidence suggests that lithium is critically involved in a variety of signaling pathways affecting apoptosis,inflammation,and neurogenesis,all of which contributing to the complex pathophysiology of various neurological *** a matter of fact,preclinical work reports both acute and longterm neuroprotection in distinct neurological disease models such as Parkinson’s disease,traumatic brain injury,Alzheimer’s disease,and ischemic *** treatment reduces cell injury,decreasesα‑synuclein aggregation and Tau protein phosphorylation,modulates inflammation and even stimulates neuroregeneration under experimental conditions of Parkinson’s disease,traumatic brain injury,and Alzheimer’s *** therapeutic impact of lithium under conditions of ischemic stroke was also studied in numerous preclinical in vitro and in vivo studies,giving rise to a randomized double-blind clinical stroke *** preclinic data revealed a lithium-induced upregulation of anti-apoptotic proteins such as b-cell lymphoma 2,heat shock protein 70,and activated protein 1,resulting in decreased neuronal cell ***,however,does not only yield postischemic neuroprotection but also enhances endogenous neuroregeneration by stimulating neural stem cell proliferation and by regulating distinct signaling pathways such as the RE1-silencing transcription *** line with this,lithium treatment has been shown to modulate postischemic cytokine secretion patterns,diminishing microglial activation and stabilizing blood-brain barrier integrity yielding reduced levels of *** aforementioned observations culminated in a first clinical trial,which revealed an improved motor recovery in patients with cortical stroke after lithium *** its well-known psychiatric indications,lithium is thus a promising neuroprotective candidate

关键词： Alzheimer’s disease apoptosis bench-to-bedside translation inflammation ischemic stroke lithium neurogenesis neuroprotective agent Parkinson’s disease traumatic brain injury

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Patterning inconsistencies restrict the true potential of dopaminergic neurons derived from human induced pluripotent stem cells

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Neural Regeneration Research 2021年第4期16卷 692-693页

作者： Sameehan Mahajani mathias bähr Sebastian Kügler Department of Neurology University Medical Center GöttingenGöttingenGermany Center for Nanoscale Microscopy and Molecular Physiology of the brain at Department of Neurology University Medical Center GöttingenGöttingenGermany Department of Pathology Stanford University School of MedicineStanfordCAUSA

Human induced pluripotent stem cells(hiPSCs)are multipotent stem cells genetically reprogrammed using transcription factors,such as Sox2,c-Myc,Oct3/4 and Klf4(Takahashi and Yamanaka,2006)from fibroblasts,derived from either patient or control *** factors are highly expressed in embryonic stem cells,and their overexpression can induce pluripotency in human somatic cells such as *** the generation of hiPSCs after reprogramming,these cells can be further differentiated into multiple neuronal cell types by using a strictly designed *** process is known as *** use of these hiPSCs derived neurons holds immense potential for researchers to uncover the underpinnings of disease pathophysiology and therefore is considered as a powerful tool.

关键词： potential restrict holds

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Foraging valor linked with aggression:selection against completely abandoning aggression in the high-elevation ant Tetramorium alpestre?

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Insect Science 2024年第3期31卷 953-970页

作者： Marie-Luise Contala Patrick Krapf Florian M.steiner birgit C.Schlick-steiner Molecular Ecology Group Department of EcologyUniversitat InnsbruckInnsbruckAustria rganismal&Evolutionary biology Research Programme University of HelsinkiHelsinkiFinland

Aggression has multiple benefits and is often coupled with other behaviors("behavioral syndromes").The level of aggressiveness is influenced by an adaptive benefit-cost ratio suggesting that benefits should outweigh the costs of ***,we assess if several behaviors are coupled in two behaviorally different populations(aggressive,peaceful)of the high-elevation ant Tetramorium *** three weeks,we collected colony fragments and analyzed boldness,exploring,foraging,and risk-taking *** hypothesized that the aggressive population is bolder,more explorative and risk-prone,and forages more food than the peaceful *** test whether(a)the combination of experiments and parameters used yields a good setup,(b)populations differ behaviorally,and(c)populations display behavioral syndromes,we assessed(a)the frequency of repeatable behaviors of each experiment,(b)the behavioral means among populations,and(c)the behavioral repeatability,*** found that(a)boldness and exploring were most repeatable and represent a good experimental setup,(b)the aggressive population was bolder and more explorative and risk-prone than the peaceful population,(c)boldness and exploring behaviors were highly repeatable in both populations,thus corroborating our *** results suggest that boldness,exploring,and risk-taking but not foraging are presumably coupled with aggression and indicate the presence of behavioral syndromes in this *** specific ecological conditions,aggression may be coupled with other behaviors and important for finding *** is probably adaptive in ***,possibly indicating that selection favors aggression at least partially,which may counteract the complete loss of intraspecific aggression.

关键词： adaptive value behavioral syndromes boldness exploration repeatability trade-off

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Diameter evolution of selective area grown Ga-assisted GaAs nanowires

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Nano Research 2018年第5期11卷 2885-2893页

作者： Hanno Kupers Ryan b. Lewis Abbes Tahraoui mathias Matalla Olaf Kruger Faebian bastiman Henning Riechert Lutz Geelhaar Paul-Drude-Institut fur Festkorperelektronik Hausvogteiplatz 5-7 10117 Berlin Germany Ferdinand-braun-Institut Leibniz-Institut fur Hochstfrequenztechnik Gustav-Kirchhoff-Strasse 4 12489 Berlin Germany

Tapering of vapour-liquid-solid （VLS） grown nanowires （NWs） is a widespread phenomenon resulting from dynamics of the liquid droplet during growth and direct vapour-solid （VS） growth on the sidewall. To investigate both effects in a highly controlled wa35 we developed a novel two-step growth approach for the selective area growth （SAG） of GaAs nanowires （NWs） by molecular beam epitaxy. In this growth approach optimum growth parameters are provided for the nucleation of NWs in a first step and for the shape variation during elongation in a second step, allowing NWs with a thin diameter （45 nrn） and an untapered morphology to be realized with high vertical yield. We quantify the flux dependence of radial VS growth and build a model that takes into account diffusion on the NW sidewalls to explain the observed VS growth rates. As our model is consistent with axial VLS growth we can combine it with an existing model for the diameter variation due to the droplet dynamics at the NW top. Thereby, we achieve full understanding of the diameter of NWs over their entire length and the evolution of the diameter and tapering during growth. We conclude that only the combination of droplet dynamics and VS growth results in an untapered morphology. This result enables NW shape engineering and has important implications for doping of NWs.

关键词： GaAs molecular beam epitaxy semiconductor growth model nanowire tapering

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Electroactivity of the magnetotactic bacteria Magnetospirillum magneticum AMb-1 and Magnetospirillum gryphiswaldense MSR-1

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Frontiers of Environmental Science & Engineering 2024年第4期18卷 103-110页

作者： mathias Fessler Qingxian Su Marlene Mark Jensen Yifeng Zhang Department of Environmental and Resource Engineering Technical University of DenmarkCopenhagenDK-2800Denmark

Magnetotactic bacteria reside in sediments and stratified water *** are named after their ability to synthesize internal magnetic particles that allow them to align and swim along the Earth’s magnetic field ***,we show that two magnetotactic species,Magnetospirillum magneticum strain AMb-1 and Magnetospirillum gryphiswaldense strain MSR-1,are *** *** and *** were able to generate current in microbial fuel cells with maximum power densities of 27 and 11μW/m^(2),*** the presence of the electron shuttle resazurin both species were able to reduce the crystalline iron oxide hematite(Fe_(2)O_(3)).In addition,*** could reduce poorly crystalline iron oxide(FeOOH).Our study adds *** and *** to the growing list of known electroactive bacteria,and implies that electroactivity might be common for bacteria within the Magnetospirillum genus.

关键词： Magnetotactic bacteria Magnetospirillum magneticum Magnetospirillum gryphiswaldense Extracellular electron transfer Microbial fuel cells

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Secondary sclerosing cholangitis in a young COVID-19 patient resulting in death:A case report

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World Journal of Gastrointestinal Surgery 2022年第12期14卷 1411-1417页

作者： Jakob.steiner Ann-Katrin Kaufmann-bühler Michael Fuchsjäger Peter Schemmer Emina Talakić Department of General Radiology Medical University of GrazGraz 8036Austria Department of General Visceral and Transplant Surgery Medical University of GrazGraz 8036Austria

bACKGROUND With the emergence of severe acute respiratory syndrome coronavirus 2(SARSCoV-2) in late 2019 in Wuhan, China, liver injury in patients with coronavirus disease 2019(COVID-19) due to SARS-CoV-2 infection has been regularly reported in the literature. There are a growing number of publications describing the occurrence of secondary sclerosing cholangitis(SSC) after SARS-CoV-2 infection in various cases. We present a case of sudden onset SSC in a critically ill patient(SSC-CIP) following COVID-19 infection who was previously *** SUMMARY A 33-year old female patient was admitted to our University Hospital due to increasing shortness of breath. A prior rapid antigen test showed a positive result for SARS-CoV-2. The patient had no known preexisting conditions. With rapidly increasing severe hypoxemia she required endotracheal intubation and developed the need for veno-venous extracorporeal membrane oxygenation in a setting of acute respiratory distress syndrome. During the patient’s 154-d stay in the intensive care unit and other hospital wards she underwent hemodialysis and extended polypharmaceutical treatment. With increasing liver enzymes and the development of signs of cholangiopathy on magnetic resonance cholangiopancreatography(MRCP) as well as endoscopic retrograde cholangiopancreatography(ERCP), the clinical setting was suggestive of SSC. At an interdisciplinary meeting, the possibility of orthotopic liver transplantation and additional kidney transplantation was discussed due to the constant need for hemodialysis. Following a deterioration in her general health and impaired respiratory function with a reduced chance of successful surgery and rehabilitation, the plan for transplantation was discarded. The patient passed away due to multiorgan *** SSC-CIP seems to be a rare but serious complication in patients with SARS-CoV-2 infection, of which treating physicians should be aware. Imaging with MRCP and/or ERCP seems to be indic

关键词： Secondary sclerosing cholangitis COVID-19 Liver failure Critically ill patients Magnetic resonance cholangiopancreatography Endoscopic retrograde cholangiopancreatography Case report

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Establishing a child and adolescent mental health center in Herat,Afghanistan:a project description

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Global Health Journal 2023年第4期7卷 194-199页

作者： Abdul Fattah Najm Aziz-ur-Rahman Niazi Mina Alekozay Emily b.Allan Kaaren mathias Technical Director International Assistance MissionHerat 3001Afghanistan Department of Public Health and Infectious Diseases Faculty of MedicineHerat 3001Afghanistan Independent Consultant RedcarNorth YorkshireTS103JAUK Faculty of Health University of CanterburyChristchurch 8140New Zealand

Objective:Afghanistan has witnessed a long-lasting 4-decade armed conflict,which together with high levels of poverty and interpersonal violence,resulted in high incidence and prevalence of mental disorders in general population,including children and *** mid-2018,there was neither mental health care facility nor a child psychiatrist in ***,we report the establishment of the first children and adolescents'mental health center(CAMHC)in Herat province of ***:In July 2018,CAMHC was initiated at Mental Health Training *** was initially planned by the International Assistance Mission(IAM)and Herat Public Health Directorate;and financially supported by the Tearfund UK,the United Methodist Committee on Relief and Tearfund *** target population of CAMHC was children and adolescents in Herat and neighboring provinces,healthcare professionals,staff of government and non-governmental organizations,school teachers and community ***:A group of eight mental health professionals were trained and made the interdisciplinary board for diagnosis and management of mental disorders in children and *** the initial three-year period,2448 patients,including 1264(51.6%)boys and 1184(48.4%)girls,presented with mental disorders to *** and management of mental disorders were performed according to standard international *** awareness-raising seminars were held;2000 leaflets,10000 posters,and 30000 brochures were prepared and distributed;and two short video clips were produced and broadcast via IAM website,social media and local TV channels.A database was developed to house for project data,assessment of outcomes and reporting to ***:Establishment of CAMHC resulted in significant achievements in diagnosis and management of mental disorders among children and adolescents,healthcare staff capacity building,and awareness-raising about mental *** o

关键词： Child and adolescent Mental health Herat Afghanistan

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Modulating poststroke inflammatory mechanisms: Novel aspects of mesenchymal stem cells, extracellular vesicles and microglia

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World Journal of Stem Cells 2021年第8期13卷 1030-1048页

作者： Wen-Qiang Xin Wei Wei Yong-Li Pan bao-Long Cui Xin-Yu Yang mathias bähr Thorsten R Doeppner Department of Neurology University Medical Center GöttingenGöttingen 37075Germany Department of Neurosurgery Tianjin Medical University General HospitalTianjin 300052China

Inflammation plays an important role in the pathological process of ischemic stroke,and systemic inflammation affects patient *** resident immune cells in the brain,microglia are significantly involved in immune defense and tissue repair under various pathological conditions,including cerebral *** the differentiation of M1 and M2 microglia is certainly oversimplified,changing the activation state of microglia appears to be an intriguing therapeutic strategy for cerebral *** evidence indicates that both mesenchymal stem cells(MSCs)and MSC-derived extracellular vesicles(EVs)regulate inflammation and modify tissue repair under preclinical stroke ***,the precise mechanisms of these signaling pathways,especially in the context of the mutual interaction between MSCs or MSC-derived EVs and resident microglia,have not been sufficiently ***,this review summarizes the state-ofthe-art knowledge on MSC-and MSC-EV-mediated regulation of microglial activity under ischemic stroke conditions with respect to various signaling pathways,including cytokines,neurotrophic factors,transcription factors,and microRNAs.

关键词： Extracellular vesicles Mesenchymal stem cells Microglial activation M2 polarization Ischemic stroke

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Genetic variation at the p53 locus of two ecologically divergent Microtus pine voles:identification of molecular markers for species assignment

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Integrative Zoology 2022年第6期17卷 1179-1192页

作者： Ana Sofia QUINA João Paulo TAVANEZ Maria da Luz mathias CESAM-Centro de Estudos do Ambiente e do Mar Departamento de BiologiaUniversidade de AveiroAveiroPortugal CESAM-Centro de Estudos do Ambiente e do Mar Faculdade de CiênciasUniversidade de LisboaLisboaPortugal Departamento de biologia Animal Faculdade de CiênciasUniversidade de LisboaLisboaPortugal Global Health and Tropical Medicine(GHTM) Instituto de Higiene e Medicina Tropical(IHMT)Universidade NOVA de Lisboa(UNL)Portugal

The Lusitanian(Microtus lusitanicus)and the Mediterranean(Microtus duodecimcostatus)pine voles are recently diverged sister species endemic of the Iberian Peninsula that can be identiﬁed with ecological and morphological characters,but in areas where the 2 species co-occur,species designation may be difﬁ*** discrimination between *** and *** has not been achieved yet possibly because of their estimated re-cent split and an evolutionary history that includes inter-species geneﬂ*** our previous observations on exons 5–7 of the p53 gene,here we analyze the potential use of the p53 genomic region as a discrimination marker of these species by extending our analyses to several kb upstream and downstream of the p53 gene and charac-terizing the degree of genetic differentiation in 7 markers within this ***,we fully sequenced the P53 protein of both *** observed:(i)generally high differentiation in this region;(ii)*** showed in general higher values of nucleotide and haplotype diversities;(iii)the concatenated phylogenetic tree separates the 2 species;(iv)the 2 P53 proteins only differ in 1 amino acid;(v)4 of the markers,2 in p53,one in Atp1b2,and another in Wrap53,contain species-speciﬁc genetic variation thus allowing a reliable discrimination between specimens from both species,irrespective of sampling location or introgression *** provide ad-ditional data on the putative role of p53 in the evolution of these species and present researchers with a fast and cost-effective resource for *** and *** identiﬁcation.

关键词： ecological stress genetic variation Microtus molecular marker p53

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