bluuebunny/crossref_metadata_2025_split huggingface dataset:
Aerosol‐Based Synthesis of Multi‐metal Electrocatalysts for Oxygen Evolution and Glycerol Oxidation
Authors: Cechanaviciute Ieva A. , Bobrowski Tim , Jambrec Daliborka , Krysiak Olga A. , Brix Ann Cathrin , Braun Michael , Quast Thomas , Wilde Patrick , Morales Dulce M. , Andronescu Corina , Schuhmann Wolfgang 
Published: April 2022

AbstractDiscovery of new catalysts is crucial for future growth and development of environmentally friendly energy conversion processes e. g. the production of hydrogen by water electrolysis. We developed an aerosol‐based synthesis technique as a comparatively fast and facile method to prepare multi‐metal catalysts. 22 different quinary metal compositions were synthesized and investigated with respect to their activity for the oxygen evolution (OER) and the glycerol oxidation (GOR) reactions. The impact of the element composition and the homogeneous distribution of the elements in the particles on catalytic performance were evaluated. The highest activity for OER was found for Co20Cu20Ni20Fe20Zn20. For GOR, Ag‐containing catalysts were the most active, however, in most cases Ag was locally enriched and not homogeneously mixed with the other metals in the particles. Ag‐based catalysts outperformed similar compositions containing one or more noble metals. The GOR selectivity of selected catalysts during long‐term electrolysis was also investigated and it was shown that varying the catalyst composition via aerosol‐based synthesis is a potential way to modulate the GOR selectivity.
Anticancer Aminoferrocene Derivatives Inducing Production of Mitochondrial Reactive Oxygen Species
Authors: Gizem Özkan Hülya , Thakor Vanrajsinh , Xu Hong‐Gui , Bila Galyna , Bilyy Rostyslav , Bida Daria , Böttcher Martin , Mougiakakos Dimitrios , Tietze Rainer , Mokhir Andriy 
Published: April 2022

AbstractElevated levels of reactive oxygen species (ROS) and deficient mitochondria are two weak points of cancer cells. Their simultaneous targeting is a valid therapeutic strategy to design highly potent anticancer drugs. The remaining challenge is to limit the drug effects to cancer cells without affecting normal ones. We have previously developed three aminoferrocene (AF)‐based derivatives, which are activated in the presence of elevated levels of ROS present in cancer cells with formation of electron‐rich compounds able to generate ROS and reduce mitochondrial membrane potential (MMP). All of them exhibit important drawbacks including either low efficacy or high unspecific toxicity that prevents their application in vivo up to date. Herein we describe unusual AF‐derivatives lacking these drawbacks. These compounds act via an alternative mechanism: they are chemically stable in the presence of ROS, generate mitochondrial ROS in cancer cells, but not normal cells and exhibit anticancer effect in vivo.
The Unexpected Helical Supramolecular Assembly of a Simple Achiral Acetamide Tecton Generates Selective Water Channels
Authors: Dumitrescu Dan G. , Rull‐Barull Jordi , Martin Anthony R. , Masquelez Nathalie , Polentarutti Maurizio , Heroux Annie , Demitri Nicola , Bais Giorgio , Moraru Ionut‐Tudor , Poteau Romuald , Amblard Muriel , Krajnc Andraž , Mali Gregor , Legrand Yves‐Marie , van der Lee Arie , Legrand Baptiste 
Published: April 2022

AbstractAchiral 2‐hydroxy‐N‐(diphenylmethyl)acetamide (HNDPA) crystallizes in the P61 chiral space group as a hydrate, building up permeable chiral crystalline helical water channels. The crystallization‐driven chiral self‐resolution process is highly robust, with the same air‐stable crystalline form readily obtained under a variety of conditions. Interestingly, the HNDPA supramolecular helix inner pore is filled by a helical water wire. The whole edifice is mainly stabilized by robust hydrogen bonds involving the HNDPA amide bonds and CH…π interactions between the HNDPA phenyl groups. The crystalline structure shows breathing behavior, with completely reversible release and re‐uptake of water inside the chiral channel under ambient conditions. Importantly, the HNDPA channel is able to transport water very efficiently and selectively under biomimetic conditions. With a permeability per channel of 3.3 million water molecules per second in large unilamellar vesicles (LUV) and total selectivity against NaCl, the HNDPA channel is a very promising functional nanomaterial for future applications.
Hofmeister Effects of Group II Cations as Seen in the Unfolding of Ribonuclease A
Authors: Asakereh Iman , Lee Katherine , Francisco Olga A. , Khajehpour Mazdak 
Published: April 2022

AbstractThis work studies the effects of alkaline‐earth cation addition on the unfolding free energy of a model protein, pancreatic Ribonuclease A (RNase A) by differential scanning calorimetry analysis. RNase A was chosen because: a) it does not specifically bind Mg2+, Ca2+ and Sr2+ cations and b) maintains its structural integrity throughout a large pH range. We have measured and compared the effects of NaCl, MgCl2, CaCl2 and SrCl2 addition on the melting point of RNase A. Our results show that even though the addition of group II cations to aqueous solvent reduces the solubility of nonpolar residues (and enhances the hydrophobic effect), their interactions with the amide moieties are strong enough to “salt‐them‐in” the solvent, thereby causing an overall protein stability reduction. We demonstrate that the amide‐cation interactions are a major contributor to the observed “Hofmeister Effects” of group II cations in protein folding. Our analysis suggests that protein folding “Hofmeister Effects” of group II cations, are mostly the aggregate sum of how cation addition simultaneously salts‐out hydrophobic moieties by increasing the cavitation free energy, while promoting the salting‐in of amide moieties through contact pair formation.
Excited‐State Proton Transfer Dynamics of a Super‐Photoacid in Acetone‐Water Mixtures
Authors: Sülzner Niklas , Geissler Bastian , Grandjean Alexander , Jung Gregor , Nuernberger Patrick 
Published: April 2022

AbstractSuper‐photoacids, that is, photoacids with a negative
value in the electronically excited state, can trigger an excited‐state proton transfer (ESPT) to the solvent. For the neutral pyranine‐derived super‐photoacid studied here, even indications for ESPT in acetoneous solution are reported. The characteristics of ESPT in this environment, that is, which intermediates exist and what the impact of cosolvents is, remain unsettled though. In this work, we study ESPT in acetone‐water mixtures by steady‐state and time‐resolved fluorescence spectroscopy. Various effects are observed: First, the addition of water supports the formation of a hydrogen‐bonded ground‐state complex comprising one water molecule and the photoacid, whose excitation triggers the formation of a hydrogen‐bonded ion pair on a sub‐ns time scale. Second, water has an overall accelerating effect on the fluorescence dynamics of the involved emitting species, whose contributions are disentangled in a global analysis scheme, enabling the identification of emission from the free photoacid, a photoacid‐water complex, a hydrogen‐bonded ion pair, and the deprotonated photoacid. At least two water molecules are necessary for ESPT in the environment. Third, additional acidification thwarts an efficient ground‐state complex formation of the photoacid and water. However, upon excitation, complexation may occur on a timescale faster than the photoacid's excited‐state lifetime, so that emission from a nascent complex emerges.
Inherent single‐cell bioelectrical parameters of thousands of neutrophils, eosinophils and basophils derived from impedance flow cytometry
Authors: Wang Minruihong , Zhang Jie , Tan Huiwen , Chen Deyong , Lei Ying , Li Yueying , Wang Junbo , Chen Jian 
Published: April 2022

AbstractSingle‐cell bioelectrical properties are commonly used for blood cell phenotyping in a label‐free manner. However, previously reported inherent single‐cell bioelectrical parameters (e.g., diameter Dc, specific membrane capacitance Csm and cytoplasmic conductivity σcy) of neutrophils, eosinophils and basophils were obtained from only tens of individual cells with limited statistical significance. In this study, granulocytes were separated into neutrophils, eosinophils and basophils based on fluorescent flow cytometry, which were further aspirated through a constriction‐microchannel impedance flow cytometry for electrical property characterization. Based on this microfluidic impedance flow cytometry, single‐cell values of Dc, Csm and σcy were measured as 10.25 ± 0.66 μm, 2.17 ± 0.30 μF/cm2, and 0.37 ± 0.05 S/m for neutrophils (ncell = 9442); 9.73 ± 0.51 μm, 2.07 ± 0.19 μF/cm2, and 0.30 ± 0.04 S/m for eosinophils (ncell = 2982); 9.75 ± 0.49 μm, 2.06 ± 0.17 μF/cm2, and 0.31 ± 0.04 S/m for basophils (ncell = 5377). Based on these inherent single‐cell bioelectrical parameters, neural pattern recognition was conducted, producing classification rates of 80.8% (neutrophil vs. eosinophil), 77.7% (neutrophil vs. basophil) and 59.3% (neutrophil vs. basophil). These results indicate that as inherent single‐cell bioelectrical parameters, Dc, Csm and σcy can be used to classify neutrophils from eosinophils or basophils to some extent while they cannot be used to effectively distinguish eosinophils from basophils.
Human cDC1s display constitutive activation of the UPR sensor IRE1
Authors: García‐González Paulina , Fernández Dominique , Gutiérrez Diane , Parra‐Cordero Mauro , Osorio Fabiola 
Published: April 2022

AbstractThe intracellular mechanisms safeguarding DC function are of biomedical interest in several immune‐related diseases. Type 1 conventional DCs (cDC1s) are prominent targets of immunotherapy typified by constitutive activation of the unfolded protein response (UPR) sensor IRE1. Through its RNase domain, IRE1 regulates key processes in cDC1s including survival, ER architecture and function. However, most evidence linking IRE1 RNase with cDC1 biology emerges from mouse studies and it is currently unknown whether human cDC1s also activate the enzyme to preserve cellular homeostasis.In this work, we report that human cDC1s constitutively activate IRE1 RNase in steady state, which is evidenced by marked expression of IRE1, XBP1s, and target genes, and low levels of mRNA substrates of the IRE1 RNase domain. On a functional level, pharmacological inhibition of the IRE1 RNase domain curtailed IL‐12 and TNF production by cDC1s upon stimulation with TLR agonists. Altogether, this work demonstrates that activation of the IRE1/XBP1s axis is a conserved feature of cDC1s across species and suggests that the UPR sensor may also play a relevant role in the biology of the human lineage.
Synthesis of Diazoquinones and Azidophenols via Diazo‐Transfer Reaction of Phenols
Authors: Kitamura Mitsuru , Eto Takashi , Konai Kazushige , Takahashi Shuhei , Shimooka Hirokazu , Okauchi Tatsuo 
Published: April 2022

AbstractThe first efficient diazo‐transfer reaction of phenols is described. o‐Quinone diazides (diazoquinones) were prepared from phenols in high yields by the diazo‐transfer reaction using 2‐azido‐1,3‐bis(2,6‐diisopropylphenyl)imidazolium hexafluorophosphate (IPrAP, 2‐PF6), which is a safe and stable crystalline. The reaction efficiently proceeded in methanol in the presence of a base. Phenols substituted with electron‐donating groups reacted more smoothly than those having electron withdrawing groups. Reactive phenols were diazotized by IPrAP with iPr2NH as a base, and low reactive phenols were diazotized with N,N‐dimethyl‐4‐aminopyridine (DMAP). Furthermore, the formed diazoquinones reacted with sodium azide in 2‐methoxyethanol and afforded the corresponding azidophenol in high yields.
RAVAQ: An integrative pipeline from quality control to region‐based rare variant association analysis
Authors: Marenne Gaëlle , Ludwig Thomas E. , Bocher Ozvan , Herzig Anthony F. , Aloui Chaker , Tournier‐Lasserve Elisabeth , Génin Emmanuelle 
Published: April 2022

AbstractNext‐generation sequencing technologies have opened up the possibility to sequence large samples of cases and controls to test for association with rare variants. To limit cost and increase sample sizes, data from controls could be used in multiple studies and might thus be generated on different sequencing platforms. This could pose some problems of comparability between cases and controls due to batch effects that could be confounding factors, leading to false‐positive association signals. To limit batch effects and ensure comparability of datasets, stringent quality controls are required. We propose an integrative five‐steps pipeline, RAVAQ, that (a) performs a specific three‐step quality control taking into account the case–control status to ensure data comparability, (b) selects qualifying variants as defined by the user, and (c) performs rare variant association tests per genomic region. The RAVAQ pipeline is wrapped in an R package. It is user‐friendly and flexible in its arguments to adapt to the specificity of each research project. We provide examples showing how RAVAQ improves rare variant association tests. The default RAVAQ quality control outperformed the widely used Variant Quality Score Recalibration method, removing inflation due to spurious signals. RAVAQ is open source and freely available at https://gitlab.com/gmarenne/ravaq.
Thermal magneto‐convection of GO‐MoS2 ${\text{MoS}}_{2}$/WEG within a heated channel retaining an aura of inclined magnetic force along with Hall currents
Authors: Das Sanatan , Mahato Naspa , Ali Asgar , Jana Rabindra Nath 
Published: April 2022

AbstractThermal and rheological characteristics of nanomaterials under electromagnetic force are of considerable interest in engineering, mining, biomechanics, and so on. Inspired by the worldwide applications of novel functional nanomaterials, this communication aims to shed light on the thermal gravitational magneto‐convection of a non‐Newtonian hybrid nanoliquid (Graphene oxide [GO]–molybdenum disulfide []/water–ethylene glycol [WEG]) inside a confined channel. GO and are dispersed into a WEG mixture (50%–50%). The physical effects of Hall currents, porous resistance, and thermal radiation are included in the flow system. An analytical approach is chosen to resolve the nondimensional momentum and energy with associated wall conditions. The stipulated graphs and tables are designed to extract and illustrate the effects of critical physical parameters on several dynamical functions or variables. The results obtained reveal that durable acceleration is induced in the fluid motion along the vertical direction with an increase in the Hall parameter, whereas it dampens the magnitude of the fluid velocity in the cross‐flow direction. An increase in frequency leads to an attenuation in the temperature profile and the amplitude of the heat transfer rate at the right wall. Streamlines and heatlines are plotted to envision the flow pattern inside the channel. The current study generalizes previous investigations with a non‐Newtonian hybrid nanoliquid and introduces the novel parameter of an inclined magnetic field. This study may be valuable in chemical engineering, mineral and cleaning oils manufacturing, and so on.
The impact of the COVID‐19 pandemic on cancer diagnosis based on pathology notifications: A comparison across the Nordic countries during 2020
Authors: Johansson Anna L. V. , Larønningen Siri , Skovlund Charlotte Wessel , Kristiansen Marnar Fríðheim , Mørch Lina Steinrud , Friis Søren , Johannesen Tom Børge , Myklebust Tor Åge , Skog Anna , Pettersson David , Birgisson Helgi , Virtanen Anni , Malila Nea , Pitkäniemi Janne , Tanskanen Tomas , Tryggvadóttir Laufey , Ursin Giske , Lambe Mats 
Published: April 2022

AbstractThe severity of the COVID‐19 pandemic and subsequent mitigation strategies have varied across the Nordic countries. In a joint Nordic population‐based effort, we compared patterns of new cancer cases and notifications between the Nordic countries during 2020. We used pathology notifications to cancer registries in Denmark, the Faroe Islands, Finland, Iceland, Norway and Sweden to determine monthly numbers of pathology notifications of malignant and in situ tumours from January to December 2020 compared to 2019 (2017‐2019 for Iceland and the Faroe Islands). We compared new cancer cases per month based on unique individuals with pathology notifications. In April and May 2020, the numbers of new malignant cases declined in all Nordic countries, except the Faroe Islands, compared to previous year(s). The largest reduction was observed in Sweden (May: −31.2%, 95% CI −33.9, −28.3), followed by significant declines in Finland, Denmark and Norway, and a nonsignificant decline in Iceland. In Denmark, Norway, Sweden and Finland the reporting rates during the second half of 2020 rose to almost the same level as in 2019. However, in Sweden and Finland, the increase did not compensate for the spring decline (annual reduction −6.2% and −3.6%, respectively). Overall, similar patterns were observed for in situ tumours. The COVID‐19 pandemic led to a decline in rates of new cancer cases in Sweden, Finland, Denmark and Norway, with the most pronounced reduction in Sweden. Possible explanations include the severity of the pandemic, temporary halting of screening activities and changes in healthcare seeking behaviour.
A computer‐aided melanoma detection using deep learning and an improved African vulture optimization algorithm
Authors: Hu Libing , Zhang Yongchun , Chen Kaidi , Mobayen Saleh 
Published: April 2022

AbstractMelanoma is a type of skin cancer that is caused by the uncontrolled growth of melanocytes. Cancer begins when cells in the body begin to grow out of control. Cells in almost every part of the body can become cancerous and then spread to other parts of the body. Melanoma is much less common than other types of skin cancer, such as basal cell carcinoma and squamous cell carcinoma, but melanoma is more dangerous because it can spread to other parts of the body if left undiagnosed and untreated. Melanoma is the deadliest type of skin cancer and yearly causes 60 000 people deaths. However, if it is diagnosed at an early stage, the cure rate can increase by up to 95%. The present study proposes a new procedure for the optimal diagnosis of malignant melanoma based on a new combined convolutional neural network and a newly improved metaheuristic algorithm. In this study, after applying the preprocessing technique, which contains Kapur segmentation and mathematical morphology, the key features of the target region are extracted from the image to make simpler data for processing. Afterward, a convolutional neural network (CNN) has been employed for providing the diagnosis system. To design the optimal diagnosis, we propose a newly developed design of an African Vulture Optimizer for the optimal configuration of the CNN. We also verify the effectiveness of the suggested approach based on a popular dataset, called the SIIM‐ISIC Melanoma dataset, and a comparison of its achievements with several other approaches from the literature is carried out to indicate its effectiveness.
Whole‐Abdomen Metabolic Imaging of Healthy Volunteers Using Hyperpolarized [1‐13C]pyruvate MRI
Authors: Lee Philip M. , Chen Hsin‐Yu , Gordon Jeremy W. , Wang Zhen J. , Bok Robert , Hashoian Ralph , Kim Yaewon , Liu Xiaoxi , Nickles Tanner , Cheung Kiersten , Alas Francesca De Las , Daniel Heather , Larson Peder E. Z. , von Morze Cornelius , Vigneron Daniel B. , Ohliger Michael A. 
Published: April 2022

BackgroundHyperpolarized 13C MRI quantitatively measures enzyme‐catalyzed metabolism in cancer and metabolic diseases. Whole‐abdomen imaging will permit dynamic metabolic imaging of several abdominal organs simultaneously in healthy and diseased subjects.PurposeImage hyperpolarized [1‐13C]pyruvate and products in the abdomens of healthy volunteers, overcoming challenges of motion, magnetic field variations, and spatial coverage. Compare hyperpolarized [1‐13C]pyruvate metabolism across abdominal organs of healthy volunteers.Study TypeProspective technical development.SubjectsA total of 13 healthy volunteers (8 male), 21–64 years (median 36).Field Strength/SequenceA 3 T. Proton: T1‐weighted spoiled gradient echo, T2‐weighted single‐shot fast spin echo, multiecho fat/water imaging. Carbon‐13: echo‐planar spectroscopic imaging, metabolite‐specific echo‐planar imaging.AssessmentTransmit magnetic field was measured. Variations in main magnetic field (ΔB0) determined using multiecho proton acquisitions were compared to carbon‐13 acquisitions. Changes in ΔB0 were measured after localized shimming. Improvements in metabolite signal‐to‐noise ratio were calculated. Whole‐organ regions of interests were drawn over the liver, spleen, pancreas, and kidneys by a single investigator. Metabolite signals, time‐to‐peak, decay times, and mean first‐order rate constants for pyruvate‐to‐lactate (kPL) and alanine (kPA) conversion were measured in each organ.Statistical TestsLinear regression, one‐sample Kolmogorov–Smirnov tests, paired t‐tests, one‐way ANOVA, Tukey's multiple comparisons tests. P ≤ 0.05 considered statistically significant.ResultsProton ΔB0 maps correlated with carbon‐13 ΔB0 maps (slope = 0.93, y‐intercept = −2.88, R2 = 0.73). Localized shimming resulted in mean frequency offset within ±25 Hz for all organs. Metabolite SNR significantly increased after denoising. Mean kPL and kPA were highest in liver, followed by pancreas, spleen, and kidneys (all comparisons with liver were significant).Data ConclusionWhole‐abdomen coverage with hyperpolarized carbon‐13 MRI was feasible despite technical challenges. Multiecho gradient echo 1H acquisitions accurately predicted chemical shifts observed using carbon‐13 spectroscopy. Carbon‐13 acquisitions benefited from local shimming. Metabolite energetics in the abdomen compiled for healthy volunteers can be used to design larger clinical trials in patients with metabolic diseases.Evidence Level2Technical EfficacyStage 1