6 research outputs found
Electronic structure and magnetic properties of Mn, Co, and Ni substitution of Fe in Fe4N
No full textThe magnetic properties of Mn, Co, and Ni substituted Fe4N are calculated from first principles theory. It is found that the generalized gradient approximation reproduces with good accuracy the magnetic moment and equilibrium volume for the parent Fe4N structure, with the atomic moment largest for the Fe atom furthest away from the N atom (Fe I site), approaching a value of 3 mu(B)/atom, whereas the Fe atom closer to the N atom (Fe II site) has a moment closer to that of bcc Fe. The substitution of Fe for Mn, Co, or Ni, shows an intricate behavior in which the Mn substitution clearly favors the Fe II site, Ni favors substitution on the Fe I site, and Co shows no strong preference for either lattice site. The Ni and Co substitution results in a ferromagnetic coupling to the Fe atoms, whereas Mn couples antiferromagnetically on the Fe II site and ferromagnetically on the Fe I site. For all types of doping, the total magnetic moment is enhanced compared to Fe4N only in the energetically very unfavorable case of Mn doping at the Fe I site.</p
Preclinical Evaluation of HER2-Targeting DARPin G3 : Impact of Albumin-Binding Domain (ABD) Fusion
No full textDesigned ankyrin repeat protein (DARPin) G3 is an engineered scaffold protein. This small (14.5 kDa) targeting protein binds with high affinity to human epidermal growth factor receptor 2 (HER2). HER2 is overexpressed in several cancers. The use of the DARPin G3 for radionuclide therapy is complicated by its high renal reabsorption after clearance via the glomeruli. We tested the hypothesis that a fusion of the DARPin G3 with an albumin-binding domain (ABD) would prevent rapid renal excretion and high renal reabsorption resulting in better tumour targeting. Two fusion proteins were produced, one with the ABD at the C-terminus (G3-ABD) and another at the N-terminus (ABD-G3). Both variants were labelled with Lu-177. The binding properties of the novel constructs were evaluated in vitro and their biodistribution was compared in mice with implanted human HER2-expressing tumours. Fusion with the ABD increased the retention time of both constructs in blood compared with the non-ABD-fused control. The effect of fusion with the ABD depended strongly on the order of the domains in the constructs, resulting in appreciably better targeting properties of [Lu-177]Lu-G3-ABD. Our data suggest that the order of domains is critical for the design of targeting constructs based on scaffold proteins.The two first authors contributed equally.Corresponding author: Vladimir Tolmachev</p
MESSENGER observations of Alfvénic and compressional waves during Mercury's substorms
No full textMErcury Surface, Space ENviroment, GEochemistry, and Ranging (MESSENGER) magnetic field measurements during the substorm expansion phase in Mercury's magnetotail have been examined for evidence of low‐frequency plasma waves, e.g., Pi2‐like pulsations. It has been revealed that the By fluctuations accompanying substorm dipolarizations are consistent with pulses of field‐aligned currents near the high‐latitude edge of the plasma sheet. Detailed analysis of the By fluctuations reveals that they are near circularly polarized electromagnetic waves, most likely Alfvén waves. Soon afterward the plasma sheet thickened and MESSENGER detected a series of compressional waves. These Alfvénic and compressional waves have similar durations (10–20 s), suggesting that they may arise from the same source. Drawing on Pi2 pulsation models developed for Earth, we suggest that the Alfvénic and compressional waves reported here at Mercury may be generated by the quasi‐periodic sunward flow bursts in Mercury's plasma sheet. But because they are observed during the period with rapid magnetic field reconfiguration, we cannot fully exclude the possibility of standing Alfvén wave.Key PointsThe first observation of Pi2‐like pulsations during Mercury's substormAlfvénic and compressional waves were observed in the different regions of the plasma sheetWe proposed the sources for the plasma wavesPeer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/113132/1/grl53278.pd
MESSENGER observations of magnetospheric substorm activity in Mercury's near magnetotail
No full textMErcury Surface, Space ENviroment, GEochemistry, and Ranging (MESSENGER) magnetic field and plasma measurements taken during crossings of Mercury's magnetotail from 2011 to 2014 have been examined for evidence of substorms. A total of 26 events were found during which an Earth‐like growth phase was followed by clear near‐tail expansion phase signatures. During the growth phase, just as at Earth, the thinning of the plasma sheet and the increase of the magnetic field intensity in the lobe are observed, but the fractional increase in field intensity could be ∼3 to 5 times that at Earth. The average timescale of the growth phase is ∼1 min. The dipolarization that marks the initiation of the substorm expansion phase is only a few seconds in duration. During the expansion phase, lasting ∼1 min, the plasma sheet is observed to thicken and engulf the spacecraft. The duration of the substorm observed in this paper is consistent with previous observations of Mercury's Dungey cycle. The reconfiguration of the magnetotail during Mercury's substorm is very similar to that at Earth despite its very compressed timescale.Key PointsThe first observation of magnetospheric substorm at MercuryThe substorm growth and expansion phases are observed to be ∼1 minThe dissipated energy and value of FACs during substorm are estimatedPeer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/111983/1/grl52938.pd
ILAE classification of the epilepsies: position paper of the ILAE Commission for Classification and Terminology
No full textThe International League Against Epilepsy (ILAE) Classification of the Epilepsies has been updated to reflect our gain in understanding of the epilepsies and their underlying mechanisms following the major scientific advances that have taken place since the last ratified classification in 1989. As a critical tool for the practicing clinician, epilepsy classification must be relevant and dynamic to changes in thinking, yet robust and translatable to all areas of the globe. Its primary purpose is for diagnosis of patients, but it is also critical for epilepsy research, development of antiepileptic therapies, and communication around the world. The new classification originates from a draft document submitted for public comments in 2013, which was revised to incorporate extensive feedback from the international epilepsy community over several rounds of consultation. It presents three levels, starting with seizure type, where it assumes that the patient is having epileptic seizures as defined by the new 2017 ILAE Seizure Classification. After diagnosis of the seizure type, the next step is diagnosis of epilepsy type, including focal epilepsy, generalized epilepsy, combined generalized, and focal epilepsy, and also an unknown epilepsy group. The third level is that of epilepsy syndrome, where a specific syndromic diagnosis can be made. The new classification incorporates etiology along each stage, emphasizing the need to consider etiology at each step of diagnosis, as it often carries significant treatment implications. Etiology is broken into six subgroups, selected because of their potential therapeutic consequences. New terminology is introduced such as developmental and epileptic encephalopathy. The term benign is replaced by the terms self-limited and pharmacoresponsive, to be used where appropriate. It is hoped that this new framework will assist in improving epilepsy care and research in the 21st century. [Abstract copyright: Wiley Periodicals, Inc. © 2017 International League Against Epilepsy.
Reproducibility in density functional theory calculations of solids
No full textThe widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements
