bluuebunny/crossref_metadata_2025_split huggingface dataset:
From the Precursor to the Active State: Monitoring Metamorphosis of Electrocatalysts During Water Oxidation by In Situ Spectroscopy
Authors: Hollmann Dirk , Rockstroh Nils , Grabow Kathleen , Bentrup Ursula , Rabeah Jabor , Polyakov Mykola , Surkus Annette‐Enrica , Schuhmann Wolfgang , Hoch Sascha , Brückner Angelika 
Published: June 2017

AbstractIn situ Raman and in situ EPR spectroscopy in combination with electrochemistry have been used to investigate the behavior of mixed cobalt nickel and cobalt copper oxides in the oxygen evolution reaction (OER). All experiments were carried out in homemade electrochemical cells using 0.1 M KOH as the electrolyte. The OER activities vary depending on the annealing conditions of the catalyst precursors, also reflected by different behaviours during the in situ spectroscopic experiments. The different activity of the Co/Ni oxides is most likely related to the formation of either γ‐ or β‐NiO(OH), characterized by distinct features in the Raman spectra. Thus, a higher percentage of β‐NiO(OH) is present in the more active catalyst. A different behaviour of Co/Cu catalysts has been shown by in situ Raman spectroscopy too, but the active phase could not be identified because of missing spectral features. However, in situ EPR spectroscopy revealed the partial dissolution of Cu(II), suggesting the formation of a Co‐enriched oxide/hydroxide surface.
An Exceptionally Facile Synthesis of Highly Efficient Oxygen Evolution Electrodes for Zinc‐Oxygen Batteries
Authors: Yan Zhao , Wang Erdong , Gao Jianxin , Yang Junpeng , Wu Chuchu , Jiang Luhua , Zhu Mingyuan , Sun Gongquan 
Published: June 2017

AbstractZinc‐oxygen batteries are promising candidates for electrical vehicles and electric grid energy storage due to their low cost, high safety levels, and low environmental impact. The oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) represent the most significant processes in zinc‐oxygen batteries. The development of nonprecious metal catalysts for OER with satisfactory performances and low cost (especially prepared by a straightforward synthesis route), still poses a significant challenge. Herein, we report an exceptionally facile and easily scalable method to produce NiFe layered double hydroxide (LDH) coated nickel foam by immersing nickel foams into aqueous solutions containing NiCl2 and FeCl2 and keeping them standing for a certain period of time. Without any other complicated technique or organic reagent, microflower‐shaped NiFe LDHs can be obtained. The resulting electrode shows excellent OER performance with a low overpotential of 210 mV at a 10 mA cm−2 constant current polarization and stable operation for more than 100 charge‐discharge cycles in zinc‐oxygen batteries.
Synthesis and Characterization of Nitro‐, Trinitromethyl‐, and Fluorodinitromethyl‐Substituted Triazolyl‐ and Tetrazolyl‐trihydridoborate Anions
Authors: Bélanger‐Chabot Guillaume , Kaplan S. Max , Deokar Piyush , Szimhardt Norbert , Haiges Ralf , Christe Karl O. 
Published: June 2017

AbstractThe problem of preparing energetic, exclusively mono‐azolyl substituted hydridoborate anions in high yield and purity from [BH4]− and nitroazoles by hydrogen elimination was overcome by reacting the corresponding nitroazolate anions with the BH3 adducts BH3⋅S(CH3)2 or BH3⋅THF. The highly‐energetic, nitro‐, trinitromethyl‐, and fluorodinitromethyl‐ substituted triazolyl‐ and tetrazolyl‐trihydridoborate anions were synthesized in this manner and characterized by vibrational and multinuclear NMR spectroscopy and their crystal structures. The use of excess BH3 resulted in some cases in the addition of a second BH3 molecule bound more‐weakly to one of the nitrogen atoms of the azole ring. All monoazolyl‐trihydridoborates were thermally less stable than the parent azolate anions. A decomposition product of tetraphenylphosphonium (5‐(trinitromethyl)‐5H‐2λ4‐tetrazol‐2‐yl)trihydridoborate, the tetraphenyl‐phosphonium (dinitro‐1H‐tetrazol‐5‐yl)methanide monohydrate, was also structurally characterized, providing some insight into the decomposition pathways of the nitromethyl‐substituted azolyltrihydridoborate anions.
Solvent‐Directed Helical Stereomutation Discloses Pathway Complexity on N‐Heterotriangulene‐Based Organogelators
Authors: Valera Jorge S. , Sánchez‐Naya Roberto , Ramírez Francisco J. , Zafra José L. , Gómez Rafael , Casado Juan , Sánchez Luis 
Published: June 2017

AbstractThe chiroptical features of supramolecular polymers formed from N‐heterotriangulenes 1–3 have been investigated by circular dichroism (ECD) and vibrational circular dichroism (VCD) techniques. In solution, the CD spectra demonstrate that the helicity of the aggregates depends on only the stereogenic centres located at the peripheral chains. In the gel state, the chiroptical features are conditioned by the point chirality of the stereogenic centres and by the achiral solvent utilised. Sonication of the gels formed in CCl4 reveals both kinetic and thermodynamic phases. These findings reveal the presence of pathway complexity in the gel state triggered by sonication. The described solvent‐induced helical stereomutation demonstrates that the gel state can be utilised as an outstanding benchmark for investigating uncommon chiroptical effects and to explore the rules of chirality transmission.
Monitoring of Flow‐Induced Aggregation and Conformational Change of Monoclonal Antibodies
Authors: Wolfrum Sonja , Weichsel Ulrike , Siedler Michael , Weber Carsten , Peukert Wolfgang 
Published: June 2017

AbstractThe aggregation process and conformational change of two monoclonal antibodies, monitored by in situ measuring techniques during stressing in a well‐defined flow field, was experimentally studied. The increase in turbidity, which was detected by in‐situ UV‐vis spectroscopy, was attributed to the formation of aggregates. A stronger aggregate formation could be related to the higher exposure of hydrophobic groups, which was monitored by in situ fluorescence spectroscopy. Both presented techniques are powerful methods to monitor the aggregation process of monoclonal antibodies directly in flow fields.
Removing H2S from Biogas Using Sorbents for Solid Oxide Fuel Cell Applications
Authors: Weinlaender Christof , Neubauer Raphael , Hauth Martin , Hochenauer Christoph 
Published: June 2017

AbstractDesulfurization of biogas is essential for its application in solid oxide fuel cells. The influence of CH4, CO2, H2, and O2 as well as the effect of moisture onto desulfurization performance of an activated carbon, an adsorbent based on a CuO‐MnO mixture, and a zeolite adsorbent were analyzed. The use of moisturized gas had no negative influence on the H2S adsorption performance of activated carbon. The CuO‐MnO sorbent showed the best performance, but the presence of moisture had a negative influence. The performance of zeolite dropped for three gas mixtures, while for two other mixtures moisture had little to no influence on H2S adsorption performance.
Safflomin A statt Carthamin aus der Färberdistel
Authors: Sehl Anne , Hennig Lothar , Berger Stefan , Siehl Hans‐Ullrich , Zeller Klaus‐Peter , Sicker Dieter 
Published: June 2017

ZusammenfassungSaflor, die seit der Antike genutzte Färberdistel, enthält zwei C‐glykosidische Hauptfarbstoffe, das wasserlösliche Safflomin A (Saflorgelb A) und das wasserunlösliche, aber alkalisch mobilisierbare Carthamin (Saflorkarmin). Wir vergleichen die Eigenschaften beider Chinochalkon‐Farbstoffe miteinander und mit anderen Glykosid‐Farbstoffen. Beschrieben wird die Biosynthese von Saflor, die chemische Synthese, und wie man selber damit färben kann. Eine Renaissance erlebt Saflor aber nicht deshalb – sondern wegen seines ernährungsphysiologisch wertvollen „Distelöls“. Wir berichten über die Isolierung von Safflomin A und den Kampf um Carthamin. Wir präsentieren und interpretieren den kompletten Satz analytischer Spektren zur Strukturzuordnung von Saflorgelb A.
Robust optimization of a multiscale heterogeneous catalytic reactor system with spatially‐varying uncertainty descriptions using polynomial chaos expansions
Authors: Chaffart Donovan , Ricardez‐Sandoval Luis A. 
Published: June 2017

AbstractThis paper explores the effects of spatially‐varying parametric uncertainty on the performance of a heterogeneous catalytic flow reactor system. The catalytic reactor behaviour is simulated using a spatially‐dependent multiscale model that combines kinetic Monte Carlo (kMC) with continuum transport equations to capture the relevant phenomena on the scales in which they occur. Polynomial chaos expansions (PCEs) are implemented to effectively propagate parametric uncertainty through the reactor model. These expansions are used to perform uncertainty analysis on the catalytic reactor system in order to accurately and effectively evaluate and compare the effects of spatially‐constant and spatially‐varying uncertainty distributions. The uncertainty comparison is further extended through application to robust optimization. To reduce the computational cost of the optimization, statistical data‐driven models (DDMs) are identified to approximate the key statistical parameters (mean, variance, and probabilistic bounds) of the reactor output variability for each uncertainty description. The DDMs are incorporated into robust optimization formulations that maximize the reactor productivity and minimize the output variability subject to parametric uncertainty. The results demonstrate the impact of spatially‐varying parametric uncertainty on the catalytic reactor performance and highlight the importance of its inclusion to adequately account for phenomena such as catalyst fouling in robust optimization and process improvement studies.
Salivary ammonia levels andTannerella forsythiaare associated with rheumatoid arthritis: A cross sectional study
Authors: Martínez‐Rivera José‐Iván , Xibillé‐Friedmann Daniel X. , González‐Christen Judith , de la Garza‐Ramos Myriam A. , Carrillo‐Vázquez Sandra M. , Montiel‐Hernández José‐Luis 
Published: June 2017

AbstractThe aim of this paper is to evaluate the relationship of salivary ammonium levels and the presence of bacteria with rheumatoid arthritis (RA) clinical disease activity in a cross‐sectional study of Mexican patients. From a periodontal and disease activity standpoint, 132 consecutive RA patients fulfilling clinical criteria were evaluated. Ammonia levels (including peptidyl arginine deiminase activity) were evaluated by colorimetric assay and the presence ofPorphyromonas gingivalis,Tannerella forsythia, andPrevotella intermediawas evaluated by polymerase chain reaction (PCR) technique. After a multivariate analysis, adjusting for clinical and serological parameters, a significant association was only observed between severe periodontitis and probing depth with high RA disease activity. Additionally, in contrast toP. gingivalis, the presence ofT. forsythiawas significantly associated with high disease RA activity even after multivariable adjustment analysis. There was also a significant increase in ammonium levels in the high RA activity group and a significant correlation between salivary ammonia and RA disease activity but not with autoantibody titers. Similarly, we observed a significant increase in the ammonium levels derived from the cultures ofP. gingivalisandT. forsythia, with respect toP. intermediaandS. gordoniicultures, or even healthy donors. These results suggest that RA activity is associated with severe periodontitis, high salivary ammonium levels and the presence ofT. forsythia.
Analysis of spatial and temporal patterns of aboveground net primary productivity in the Eurasian steppe region from 1982 to 2013
Authors: Jiao Cuicui , Yu Guirui , Ge Jianping , Chen Xi , Zhang Chi , He Nianpeng , Chen Zhi , Hu Zhongmin 
Published: June 2017

AbstractTo explore the importance of the Eurasian steppe region (EASR) in global carbon cycling, we analyzed the spatiotemporal dynamics of the aboveground net primary productivity (ANPP) of the entire EASR from 1982 to 2013. The ANPP in the EASR was estimated from the Integrated ANPPNDVImodel, which is an empirical model developed based on field‐observed ANPP and long‐term normalized difference vegetation index (NDVI) data. The optimal composite period of NDVI data was identified by considering spatial heterogeneities across the study area in the Integrated ANPPNDVImodel. EASR's ANPP had apparent zonal patterns along hydrothermal gradients, and the mean annual value was 43.78 g C m−2 yr−1, which was lower than the global grasslands average. Compared to other important natural grasslands, EASR's ANPP was lower than the North American, South American, and African grasslands. The total aboveground net primary productivity (TANPP) was found to be 378.97 Tg C yr−1, which accounted for 8.18%–36.03% of the TANPP for all grasslands. In addition, EASR's TANPP was higher than that of the grasslands in North America, South America, and Africa. The EASR's TANPP increased in a fluctuating manner throughout the entire period of 1982–2013. The increasing trend was greater than that for North American and South American and was lower than that for African grasslands over the same period. The years 1995 and 2007 were two turning points at which trends in EASR's TANPP significantly changed. Our analysis demonstrated that the EASR has been playing a substantial and progressively more important role in global carbon sequestration. In addition, in the development of empirical NDVI‐based ANPP models, the early–middle growing season averaged NDVI, the middle–late growing season averaged NDVI and the annual maximum NDVI are recommended for use for semi‐humid regions, semi‐arid regions, and desert vegetation in semi‐arid regions, respectively.
The social psychology of collective victimhood
Authors: Noor Masi , Vollhardt Johanna Ray , Mari Silvia , Nadler Arie 
Published: June 2017

AbstractCollective victimhood, which results from the experience of being targeted as members of a group, has powerful effects on individuals and groups. The focus of this Special Issue is on how people respond to collective victimhood and how these responses shape intergroup relations. We introduce the Special Issue with an overview of emerging social psychological research on collective victimhood. To date, this research has focused mostly on destructive versus positive consequences of collective victimhood for relations with an adversary group, and examined victim groups' needs, victim beliefs, and underlying social identity and categorization processes. We identify several neglected factors in this literature, some of which are addressed by the empirical contributions in the current issue. The Special Issue offers novel perspectives on collective victimhood, presenting findings based on a diverse range of methods with mostly community samples that have direct and vicarious experiences of collective harm in different countries.
Trypsin inhibitor screening in traditional Chinese medicine by using an immobilized enzyme microreactor in capillary and molecular docking study
Authors: Cheng Mengxia , Chen Zilin 
Published: June 2017

A trypsin immobilized enzyme microreactor was successfully prepared in capillary for studying enzyme kinetics of trypsin and online screening of trypsin inhibitors from traditional Chinese medicine through capillary electrophoresis. Trypsin was immobilized on the inner wall at the inlet of the capillary treated with polydopamine. The rest of the capillary was used as a separation channel. The parameters including the separation efficiency and the activity of immobilized trypsin were comprehensively evaluated. Under the optimal conditions, online screening of trypsin inhibitors each time can be carried out within 6 min. The Michaelis–Menten constant of immobilized trypsin was calculated to be 0.50 mM, which indicated high affinity of the immobilized trypsin for the substrate. The half‐maximal inhibitory concentration of known inhibitor of benzamidine hydrochloride hydrate as a model inhibitor was 13.32 mM. The proposed method was successfully applied to screen trypsin inhibitors from 15 compounds of traditional Chinese medicine. It has been found that baicalin showed inhibitory potency. Molecular docking study well supported the experimental result by exhibiting molecular interaction between enzyme and inhibitors.
Separation of single‐base sequential isomers of single‐stranded DNA by capillary electrophoresis and its application in the discrimination of single‐base DNA mutations
Authors: Sakurai Takao , Hoshino Hitoshi , Takahashi Toru 
Published: June 2017

Separation of single‐base substitution sequential DNA isomers remains one of the most challenging tasks in DNA separation by capillary electrophoresis. We developed a simple, versatile capillary electrophoresis technique for the separation of single‐base sequential isomers of DNA having the same chain length. This technique is based on charge differences resulting from the different protonation (acid dissociation) properties of the four DNA bases. A mixture of 13 single‐base sequential isomers of 12‐mer single‐stranded DNA was separated by using an electrophoretic buffer solution containing 20 mM phosphoric acid (pH 2.0) and 8 M urea. We demonstrated that our method could separate all possible mutation patterns under identical experimental conditions. In addition, application of our method to the separation of the polymerase chain reaction product of a 68‐mer gene fragment and its single‐base isomers indicates that in combination with the appropriate genomic DNA extraction techniques, the method can detect single‐base gene mutations.
Pyramidal tract activation due to subthalamic deep brain stimulation in Parkinson's disease
Authors: Mahlknecht Philipp , Akram Harith , Georgiev Dejan , Tripoliti Elina , Candelario Joseph , Zacharia Andre , Zrinzo Ludvic , Hyam Jonathan , Hariz Marwan , Foltynie Thomas , Rothwell John C. , Limousin Patricia 
Published: June 2017

ABSTRACTBackground: Subthalamic deep brain stimulation (STN‐DBS) is an effective treatment for Parkinson's disease (PD), but can have side effects caused by stimulus spread to structures outside the target volume such as the pyramidal tract.Objectives: To assess the relevance of pyramidal tract activation with STN‐DBS in PD.Methods: In a multimodal, blinded study in 20 STN‐DBS patients, we measured stimulation thresholds for evoking electromyographic activity in orbicularis oris and first dorsal interosseous muscles at each of 150 electrode sites. We also modeled the electric field spread and calculated its overlap with the estimated anatomical location of corticospinal and corticobulbar tracts from primary motor cortex using 3 Tesla MRI probabilistic tractography.Results: Mean resting motor thresholds were significantly lower for the contralateral orbicularis oris (3.5 ± 1.0 mA) compared with ipsilaterally (4.1 ± 1.1 mA) and with the contralateral first dorsal interosseous (4.0 ± 1.2 mA). The modeled volumes of corticobulbar and corticospinal tract activated correlated inversely with the resting motor threshold of the contralateral orbicularis oris and first dorsal interosseous, respectively. Active motor thresholds were significantly lower compared with resting motor thresholds by around 30% to 35% and correlated with the clinically used stimulation amplitude. Backward multiple regression in 12 individuals with a “lateral‐type” speech showed that stimulation amplitude, levodopa equivalent dose reduction postsurgery, preoperative speech intelligibility, and first dorsal interosseous resting motor thresholds explained 79.9% of the variance in postoperative speech intelligibility.Conclusions: Direct pyramidal tract activation can occur at stimulation thresholds that are within the range used in clinical routine. This spread of current compromises increase in stimulation strengths and is related to the development of side effects such as speech disturbances with chronic stimulation. © 2017 International Parkinson and Movement Disorder Society
Seventy years of pallidotomy for movement disorders
Authors: Cif Laura , Hariz Marwan 
Published: June 2017

ABSTRACTThe year 2017 marks the 70th anniversary of the birth of human stereotactic neurosurgery. The first procedure was a pallidotomy for Huntington's disease. However, it was for Parkinson's disease that pallidotomy was soon adopted worldwide. Pallidotomy was abandoned in the late 1950s in favor of thalamotomy because of the latter's more striking effect on tremor. The advent of levodopa put a halt to all surgery for PD. In the mid‐1980s, Laitinen reintroduced the posteroventral pallidotomy of Leksell, and this procedure spread worldwide thanks to its efficacy on most parkinsonian symptoms including levodopa‐induced dyskinesias and thanks to basic scientific work confirming the role of the globus pallidus internus in the pathophysiology of PD. With the advent of deep brain stimulation of the subthalamic nucleus, pallidotomy was again abandoned, and even DBS of the GPi has been overshadowed by STN DBS. The GPi reemerged in the late 1990s as a major stereotactic target for DBS in dystonia and, recently, in Tourette syndrome. Lately, lesioning of the GPI is being proposed to treat refractory status dystonicus or to treat DBS withdrawal syndrome in PD patients. Hence, the pallidum as a stereotactic target for either lesioning or DBS has been the phoenix of functional stereotactic neurosurgery, constantly abandoned and then rising again from its ashes. This review is a tribute to the pallidum on its 70th anniversary as a surgical target for movement disorders, analyzing its ebbs and flows and highlighting its merits, its versatility, and its resilience. © 2017 International Parkinson and Movement Disorder Society
KCTD12 modulation of GABA(B) receptor function
Authors: Li Melody , Milligan Carol J. , Wang Haiyan , Walker Andrew , Churilov Leonid , Lawrence Andrew J. , Reid Christopher A. , Hopkins Seth C. , Petrou Steven 
Published: June 2017

AbstractThe molecular composition and functional diversity of native GABAB receptors (GABABR) are still poorly understood, thus hindering development of selective GABABR ligands. Potassium channel tetramerization domain‐containing protein (KCTD) 12 is a GABABR auxiliary subunit and mouse KCTD12 can alter GABABR function. In this study, we sought to characterize the effects of human KCTD12 on GABABR kinetics and pharmacology, using an automated electrophysiological assay. Seizure susceptibility and ethanol consumption were also investigated in a KCTD12 knockout mouse model. Human KCTD12 co‐expression altered the kinetics of GABABR‐mediated GIRK channels, speeding rates of both activation and desensitization. Analysis of concentration‐response curves showed that KCTD12 coexpression did not alter effects of the agonists GABA or baclofen on GABABR. KCTD12 coexpression enhanced the potentiating effects of the positive allosteric modulator CGP7930, and its effects on GABABR activation and desensitization. The function of KCTD12 in vivo was examined, using the KCTD12 knockout mouse model. The knockout mice were more resistant to a pentylenetetrazole proconvulsant challenge suggesting reduced seizure susceptibility. In the two bottle preference test, KCTD12 knockout mice demonstrated a reduced consumption at high ethanol concentrations. In summary, human KCTD12 accelerated the kinetics of GABABR in vitro, in a manner possibly sensitive to allosteric pharmacological modulation. This study also provides novel in vivo evidence that the interaction between KCTD12 and GABABR is of physiological significance, and may be a mechanism to more selectively modulate GABABR.