bluuebunny/crossref_metadata_2025_split huggingface dataset:
Understanding activity and selectivity of metal-nitrogen-doped carbon catalysts for electrochemical reduction of CO2
Authors: Ju Wen , Bagger Alexander , Hao Guang-Ping , Varela Ana Sofia , Sinev Ilya , Bon Volodymyr , Roldan Cuenya Beatriz , Kaskel Stefan , Rossmeisl Jan , Strasser Peter 
Published: October 2017

AbstractDirect electrochemical reduction of CO2 to fuels and chemicals using renewable electricity has attracted significant attention partly due to the fundamental challenges related to reactivity and selectivity, and partly due to its importance for industrial CO2-consuming gas diffusion cathodes. Here, we present advances in the understanding of trends in the CO2 to CO electrocatalysis of metal- and nitrogen-doped porous carbons containing catalytically active M–N
x
moieties (M = Mn, Fe, Co, Ni, Cu). We investigate their intrinsic catalytic reactivity, CO turnover frequencies, CO faradaic efficiencies and demonstrate that Fe–N–C and especially Ni–N–C catalysts rival Au- and Ag-based catalysts. We model the catalytically active M–N
x
moieties using density functional theory and correlate the theoretical binding energies with the experiments to give reactivity-selectivity descriptors. This gives an atomic-scale mechanistic understanding of potential-dependent CO and hydrocarbon selectivity from the M–N
x
moieties and it provides predictive guidelines for the rational design of selective carbon-based CO2 reduction catalysts.
A structural model of flagellar filament switching across multiple bacterial species
Authors: Wang Fengbin , Burrage Andrew M. , Postel Sandra , Clark Reece E. , Orlova Albina , Sundberg Eric J. , Kearns Daniel B. , Egelman Edward H. 
Published: October 2017

AbstractThe bacterial flagellar filament has long been studied to understand how a polymer composed of a single protein can switch between different supercoiled states with high cooperativity. Here we present near-atomic resolution cryo-EM structures for flagellar filaments from both Gram-positive Bacillus subtilis and Gram-negative Pseudomonas aeruginosa. Seven mutant flagellar filaments in B. subtilis and two in P. aeruginosa capture two different states of the filament. These reliable atomic models of both states reveal conserved molecular interactions in the interior of the filament among B. subtilis, P. aeruginosa and Salmonella enterica. Using the detailed information about the molecular interactions in two filament states, we successfully predict point mutations that shift the equilibrium between those two states. Further, we observe the dimerization of P. aeruginosa outer domains without any perturbation of the conserved interior of the filament. Our results give new insights into how the flagellin sequence has been “tuned” over evolution.
Observation of current-induced bulk magnetization in elemental tellurium
Authors: Furukawa Tetsuya , Shimokawa Yuri , Kobayashi Kaya , Itou Tetsuaki 
Published: October 2017

AbstractThe magnetoelectric effect in bulk matter is of growing interest both fundamentally and technologically. Since the beginning of the century, the magnetoelectric effect has been studied intensively in multiferroic materials. However, magnetoelectric phenomena in materials without any (anti-)ferroic order remain almost unexplored. Here we show the observation of a new class of bulk magnetoelectric effect, by revisiting elemental trigonal tellurium. We demonstrate that elemental tellurium, which is a nonmagnetic semiconductor, exhibits current-induced magnetization. This effect is attributed to spin splitting of the bulk band owing to the lack of inversion symmetry in trigonal tellurium. This finding highlights magnetoelectricity in bulk matter driven by moving electrons without any (anti-)ferroic order. Notably, current-induced magnetization generates a magnetic field that is not circular around but is parallel to the applied current; thus, this phenomenon opens a new area of magnetic field generation beyond Ampere’s law that may lead to industrial applications.
Identification of catalytic sites in cobalt-nitrogen-carbon materials for the oxygen reduction reaction
Authors: Zitolo Andrea , Ranjbar-Sahraie Nastaran , Mineva Tzonka , Li Jingkun , Jia Qingying , Stamatin Serban , Harrington George F. , Lyth Stephen Mathew , Krtil Petr , Mukerjee Sanjeev , Fonda Emiliano , Jaouen Frédéric 
Published: October 2017

AbstractSingle-atom catalysts with full utilization of metal centers can bridge the gap between molecular and solid-state catalysis. Metal-nitrogen-carbon materials prepared via pyrolysis are promising single-atom catalysts but often also comprise metallic particles. Here, we pyrolytically synthesize a Co–N–C material only comprising atomically dispersed cobalt ions and identify with X-ray absorption spectroscopy, magnetic susceptibility measurements and density functional theory the structure and electronic state of three porphyrinic moieties, CoN4C12, CoN3C10,porp and CoN2C5. The O2 electro-reduction and operando X-ray absorption response are measured in acidic medium on Co–N–C and compared to those of a Fe–N–C catalyst prepared similarly. We show that cobalt moieties are unmodified from 0.0 to 1.0 V versus a reversible hydrogen electrode, while Fe-based moieties experience structural and electronic-state changes. On the basis of density functional theory analysis and established relationships between redox potential and O2-adsorption strength, we conclude that cobalt-based moieties bind O2 too weakly for efficient O2 reduction.
Comprehensive assessment of the safety of olodaterol 5 µg in the Respimat® device for maintenance treatment of COPD: comparison with the long-acting β2-agonist formoterol
Authors: Koch Andrea , Watz Henrik , Maleki-Yazdi M. Reza , Bothner Ulrich , Tetzlaff Kay , Voß Florian , McGarvey Lorcan 
Published: October 2017

AbstractThis analysis provides a comprehensive clinical assessment of the long-term safety of the licensed dose of olodaterol (5 µg once daily [QD] via Respimat® inhaler) in patients with chronic obstructive pulmonary disease by exploring the occurrence of acknowledged side effects of long-acting β2-agonists as well as those included in the olodaterol and formoterol labels. We analysed pooled data from two replicate, double-blind studies of olodaterol (5 µg QD via Respimat®) compared to formoterol (12 µg twice daily [BID]) or placebo over 48 weeks (1222.13, NCT00793624; 1222.14, NCT00796653). Patients could continue their background treatment. The analysis considered adverse events (AEs) typically associated with β2-agonists, including cardiovascular events, as well as administration-related events. Descriptive statistics were provided for the incidence of AEs and aggregated AEs. The analysis included 1379 patients: 460 placebo, 459 olodaterol and 460 formoterol; AEs were reported by 70.9, 71.7 and 69.1% of patients, respectively. Exposure-adjusted incidence rates of cardiac AEs (arrhythmia and myocardial ischaemia) and cough were numerically lower in the olodaterol group than the formoterol group, while nasopharyngitis, throat irritation, metabolism and psychiatric disorders were numerically higher in the olodaterol group. The most frequent event in the olodaterol group was nasopharyngitis (placebo 8.0%; olodaterol 12.9%; formoterol 10.0%). Except for cough (incidence rate ratio of 0.46 [95% confidence interval 0.24, 0.89] in favour of olodaterol), there were no significant differences between active groups. In conclusion, olodaterol 5 µg QD was well tolerated over 48 weeks with a typical β2-agonist safety profile comparable to formoterol 12 µg BID.
Incorporation of tetanus-epitope into virus-like particles achieves vaccine responses even in older recipients in models of psoriasis, Alzheimer’s and cat allergy
Authors: Zeltins Andris , West Jonathan , Zabel Franziska , El Turabi Aadil , Balke Ina , Haas Stefanie , Maudrich Melanie , Storni Federico , Engeroff Paul , Jennings Gary T. , Kotecha Abhay , Stuart David I , Foerster John , Bachmann Martin F. 
Published: October 2017

AbstractMonoclonal antibodies are widely used to treat non-infectious conditions but are costly. Vaccines could offer a cost-effective alternative but have been limited by sub-optimal T-cell stimulation and/or weak vaccine responses in recipients, for example, in elderly patients. We have previously shown that the repetitive structure of virus-like-particles (VLPs) can effectively bypass self-tolerance in therapeutic vaccines. Their efficacy could be increased even further by the incorporation of an epitope stimulating T cell help. However, the self-assembly and stability of VLPs from envelope monomer proteins is sensitive to geometry, rendering the incorporation of foreign epitopes difficult. We here show that it is possible to engineer VLPs derived from a non human-pathogenic plant virus to incorporate a powerful T-cell-stimulatory epitope derived from Tetanus toxoid. These VLPs (termed CMVTT) retain self-assembly as well as long-term stability. Since Th cell memory to Tetanus is near universal in humans, CMVTT-based vaccines can deliver robust antibody-responses even under limiting conditions. By way of proof of concept, we tested a range of such vaccines against chronic inflammatory conditions (model: psoriasis, antigen: interleukin-17), neurodegenerative (Alzheimer’s, β-amyloid), and allergic disease (cat allergy, Fel-d1), respectively. Vaccine responses were uniformly strong, selective, efficientin vivo, observed even in old mice, and employing low vaccine doses. In addition, randomly ascertained human blood cells were reactive to CMVTT-VLPs, confirming recognition of the incorporated Tetanus epitope. The CMVTT-VLP platform is adaptable to almost any antigen and its features and performance are ideally suited for the design of vaccines delivering enhanced responsiveness in aging populations.
Unmodified mRNA in LNPs constitutes a competitive technology for prophylactic vaccines
Authors: Lutz Johannes , Lazzaro Sandra , Habbeddine Mohamed , Schmidt Kim Ellen , Baumhof Patrick , Mui Barbara L. , Tam Ying K. , Madden Thomas D. , Hope Michael J. , Heidenreich Regina , Fotin-Mleczek Mariola 
Published: October 2017

AbstractmRNA represents a promising new vaccine technology platform with high flexibility in regard to development and production. Here, we demonstrate that vaccines based on sequence optimized, chemically unmodified mRNA formulated in optimized lipid nanoparticles (LNPs) are highly immunogenic and well tolerated in non-human primates (NHPs). Single intramuscular vaccination of NHPs with LNP-formulated mRNAs encoding rabies or influenza antigens induced protective antibody titers, which could be boosted and remained stable during an observation period of up to 1 year. First mechanistic insights into the mode of action of the LNP-formulated mRNA vaccines demonstrated a strong activation of the innate immune response at the injection site and in the draining lymph nodes (dLNs). Activation of the innate immune system was reflected by a transient induction of pro-inflammatory cytokines and chemokines and activation of the majority of immune cells in the dLNs. Notably, our data demonstrate that mRNA vaccines can compete with licensed vaccines based on inactivated virus or are even superior in respect of functional antibody and T cell responses. Importantly, we show that the developed LNP-formulated mRNA vaccines can be used as a vaccination platform allowing multiple, sequential vaccinations against different pathogens. These results provide strong evidence that the mRNA technology is a valid approach for the development of effective prophylactic vaccines to prevent infectious diseases.
Packing topology in crystals of proteins and small molecules: a comparison
Authors: Carugo Oliviero , Blatova Olga A. , Medrish Elena O. , Blatov Vladislav A. , Proserpio Davide M. 
Published: October 2017

AbstractWe compared the topologies of protein and small molecule crystals, which have many common features – both are molecular crystals with intermolecular interactions much weaker than intramolecular interactions. They also have different features – a considerably large fraction of the volume of protein crystals is occupied by liquid water while no room is available to other molecules in small molecule crystals. We analyzed the overall and local topology and performed multilevel topological analyses (with the software package ToposPro) of carefully selected high quality sets of protein and small molecule crystal structures. Given the suboptimal packing of protein crystals, which is due the special shape and size of proteins, it would be reasonable to expect that the topology of protein crystals is different from the topology of small molecule crystals. Surprisingly, we discovered that these two types of crystalline compounds have strikingly similar topologies. This might suggest that molecular crystal formations share symmetry rules independent of molecular dimension.
Role of Mast Cells in clearance of Leishmania through extracellular trap formation
Authors: Naqvi Nilofer , Ahuja Kavita , Selvapandiyan Angamuthu , Dey Ranadhir , Nakhasi Hira , Puri Niti 
Published: October 2017

AbstractMast Cells (MCs) are one of the first immune cells encountered by invading pathogens. Their presence in large numbers in the superficial dermis, whereLeishmaniais encountered, suggests that they may play a critical role in immune responses toLeishmania. In this study the interactions ofLeishmania donovani, the causative agent of visceral Leishmaniasis, andLeishmania tropica, the causative agent of cutaneous Leishmaniasis with MCs were studied. Co-culture ofLeishmaniawith Peritoneal Mast Cells (PMCs) from BALB/c mice and Rat Basophilic Leukaemia (RBL-2H3) MCs led to significant killing ofL. tropicaand to a lesser extent ofL. donovani. Also, while there was significant uptake ofL. tropicaby MCs,L. donovaniwas not phagocytosed. There was significant generation of Reactive Oxygen Species (ROS) by MCs on co-culture with these species ofLeishmaniawhich may contribute to their clearance. Interactions of MCs withLeishmanialed to generation of MC extracellular traps comprising of DNA, histones and tryptase probably to ensnare these pathogens. These results clearly establish that MCs may contribute to host defences toLeishmaniain a differential manner, by actively taking up these pathogens, and also by mounting effector responses for their clearance by extracellular means.
Experimental investigation on the geometry of GHZ states
Authors: Carvacho Gonzalo , Graffitti Francesco , D’Ambrosio Vincenzo , Hiesmayr Beatrix C. , Sciarrino Fabio 
Published: October 2017

AbstractGreenberger-Horne-Zeilinger (GHZ) states and their mixtures exhibit fascinating properties. A complete basis of GHZ states can be constructed by properly choosing local basis rotations. We demonstrate this experimentally for the Hilbert space $${{\mathbb{C}}}_{2}^{\otimes 4}$$

ℂ

2

⊗
4

by entangling two photons in polarization and orbital angular momentum. Mixing GHZ states unmasks different entanglement features based on their particular local geometrical connectedness. In particular, a specific GHZ state in a complete orthonormal basis has a “twin” GHZ state for which equally mixing leads to full separability in opposition to any other basis-state. Exploiting these local geometrical relations provides a toolbox for generating specific types of multipartite entanglement, each providing different benefits in outperforming classical devices. Our experiment investigates these GHZ’s properties exploiting the HMGH framework which allows us to study the geometry for the different depths of entanglement in our system and showing a good stability and fidelity thus admitting a scaling in degrees of freedom and advanced operational manipulations.
Visuo-acoustic stimulation that helps you to relax: A virtual reality setup for patients in the intensive care unit
Authors: Gerber Stephan M. , Jeitziner Marie-Madlen , Wyss Patric , Chesham Alvin , Urwyler Prabitha , Müri René M. , Jakob Stephan M. , Nef Tobias 
Published: October 2017

AbstractAfter prolonged stay in an intensive care unit (ICU) patients often complain about cognitive impairments that affect health-related quality of life after discharge. The aim of this proof-of-concept study was to test the feasibility and effects of controlled visual and acoustic stimulation in a virtual reality (VR) setup in the ICU. The VR setup consisted of a head-mounted display in combination with an eye tracker and sensors to assess vital signs. The stimulation consisted of videos featuring natural scenes and was tested in 37 healthy participants in the ICU. The VR stimulation led to a reduction of heart rate (p = 0. 049) and blood pressure (p = 0.044). Fixation/saccade ratio (p < 0.001) was increased when a visual target was presented superimposed on the videos (reduced search activity), reflecting enhanced visual processing. Overall, the VR stimulation had a relaxing effect as shown in vital markers of physical stress and participants explored less when attending the target. Our study indicates that VR stimulation in ICU settings is feasible and beneficial for critically ill patients.
Phenotyping of autoreactive B cells with labeled nucleosomes in 56R transgenic mice
Authors: Gies Vincent , Bouis Delphine , Martin Mickaël , Pasquali Jean-L. , Martin Thierry , Korganow Anne-S. , Soulas-Sprauel Pauline 
Published: October 2017

AbstractThe phenotypic characterization of self-reactive B cells producing autoantibodies is one of the challenges to get further insight in the physiopathology of autoimmune diseases. We took advantage of our previously developed flow cytometry method, using labeled nucleosomes, prominent autoantigens in systemic lupus erythematosus, to analyze the phenotype of self-reactive B cells in the anti-DNA B6.56R mouse model. We showed that splenic anti-nucleosome B cells express mostly kappa light chains and harbor a marginal zone phenotype. Moreover, these autoreactive B cells fail to acquire a germinal center phenotype and are less abundant in the transitional T3 compartment. In conclusion, the direct detection of autoreactive B cells helped determine their phenotypic characteristics and provided a more direct insight into the B cell tolerance process in B6.56R mice. This method constitutes an interesting new tool to study the mechanisms of B cell tolerance breakdown in B6.56R mice crossed with autoimmune prone models.
A method to determine pharmacokinetic parameters based on andante constant-rate intravenous infusion
Authors: Yu Rui-hong , Cao Yong-xiao 
Published: October 2017

AbstractOn account of the disturbance from the distribution phase, the concentration-time curve of drugs cannot fully reflect the characteristics of elimination, and thus, it is difficult for present methods to obtain ideal pharmacokinetic parameters. This paper presents a method to determine pharmacokinetic parameters based on an andante constant-rate intravenous infusion. A mathematical model of the constant-rate intravenous infusion combined with the elimination of first-order kinetics was established. During infusion, the accumulation tendency of drugs was deduced as $${C}_{t}={C}_{{0}}+({C}_{ss}-{C}_{{0}})\cdot (1-{e}^{-Kt})$$

C

t

=

C

0

+
(

C

s
s

−

C

0

)
⋅
(
1
−

e

−
K
t

)
using the principle of calculus. Then, the method to determine the pharmacokinetic parameters was summed up. After collecting the blood drug concentration (C
t
) -time (t) data from a constant-rate (v) infusion period, an exponential regression analysis was conducted to obtain the elimination rate constant (K) and plateau concentration (C
ss
). Then, the half-life (t
1/2
), apparent volume of distribution (V
d
) and clearance rate (CL) were calculated based on the equations, t
1/2
= 0.693/K, V
d
= (v/K)/C
ss
and CL = v/C
ss
, respectively. In addition, an application example of cimetidine in a beagle dog was used to demonstrate the implementation process of the method.
Pro-angiogenic effect of RANTES-loaded polysaccharide-based microparticles for a mouse ischemia therapy
Authors: Suffee N. , Le Visage C. , Hlawaty H. , Aid-Launais R. , Vanneaux V. , Larghero J. , Haddad O. , Oudar O. , Charnaux N. , Sutton A. 
Published: October 2017

AbstractPeripheral arterial disease results from the chronic obstruction of arteries leading to critical hindlimb ischemia. The aim was to develop a new therapeutic strategy of revascularization by using biodegradable and biocompatible polysaccharides-based microparticles (MP) to treat the mouse hindlimb ischemia. For this purpose, we deliver the pro-angiogenic chemokine Regulated upon Activation, Normal T-cell Expressed and Secreted (RANTES)/CCL5 in the mouse ischemic hindlimb, in solution or incorporated into polysaccharide-based microparticles. We demonstrate that RANTES-loaded microparticles improve the clinical score, induce the revascularization and the muscle regeneration in injured mice limb. To decipher the mechanisms underlying RANTES effects in vivo, we demonstrate that RANTES increases the spreading, the migration of human endothelial progenitor cells (EPC) and the formation of vascular network. The main receptors of RANTES i.e. CCR5, syndecan-4 and CD44 expressed at endothelial progenitor cell surface are involved in RANTES-induced in vitro biological effects on EPC. By using two RANTES mutants, [E66A]-RANTES with impaired ability to oligomerize, and [44AANA47]-RANTES mutated in the main RANTES-glycosaminoglycan binding site, we demonstrate that both chemokine oligomerization and binding site to glycosaminoglycans are essential for RANTES-induced angiogenesis in vitro. Herein we improved the muscle regeneration and revascularization after RANTES-loaded MP local injection in mice hindlimb ischemia.
A comparative study of machine learning methods for time-to-event survival data for radiomics risk modelling
Authors: Leger Stefan , Zwanenburg Alex , Pilz Karoline , Lohaus Fabian , Linge Annett , Zöphel Klaus , Kotzerke Jörg , Schreiber Andreas , Tinhofer Inge , Budach Volker , Sak Ali , Stuschke Martin , Balermpas Panagiotis , Rödel Claus , Ganswindt Ute , Belka Claus , Pigorsch Steffi , Combs Stephanie E. , Mönnich David , Zips Daniel , Krause Mechthild , Baumann Michael , Troost Esther G. C. , Löck Steffen , Richter Christian 
Published: October 2017

AbstractRadiomics applies machine learning algorithms to quantitative imaging data to characterise the tumour phenotype and predict clinical outcome. For the development of radiomics risk models, a variety of different algorithms is available and it is not clear which one gives optimal results. Therefore, we assessed the performance of 11 machine learning algorithms combined with 12 feature selection methods by the concordance index (C-Index), to predict loco-regional tumour control (LRC) and overall survival for patients with head and neck squamous cell carcinoma. The considered algorithms are able to deal with continuous time-to-event survival data. Feature selection and model building were performed on a multicentre cohort (213 patients) and validated using an independent cohort (80 patients). We found several combinations of machine learning algorithms and feature selection methods which achieve similar results, e.g., MSR-RF: C-Index = 0.71 and BT-COX: C-Index = 0.70 in combination with Spearman feature selection. Using the best performing models, patients were stratified into groups of low and high risk of recurrence. Significant differences in LRC were obtained between both groups on the validation cohort. Based on the presented analysis, we identified a subset of algorithms which should be considered in future radiomics studies to develop stable and clinically relevant predictive models for time-to-event endpoints.