bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Two Classic Pb2+‐Selective DNAzymes Are Related: Rational Evolution for Understanding Metal Selectivity
Authors: Ren Wei , Huang Po‐Jung Jimmy , He Meilin , Lyu Mingsheng , Wang Shujun , Wang Changhai , Liu Juewen 
Published: November 2019

AbstractIn 1994, the first DNAzyme named GR5 was reported, which specifically requires Pb2+ for its RNA cleavage activity. Three years later, the 8‐17 DNAzyme was isolated. The 8‐17 DNAzyme and the related 17E DNAzyme are also most active with Pb2+, although other divalent metals can work as well. GR5 and 17E have the same substrate sequence, and their catalytic loops in the enzyme strands also have a few similar and conserved nucleotides. Considering these, we hypothesized that 17E might be a special form of GR5. To test this hypothesis, we performed systematic rational evolution experiments to gradually mutate GR5 toward 17E. By using the activity ratio in the presence of Pb2+ and Mg2+ for defining these two DNAzymes, the critical nucleotide was identified to be T12 in 17E for metal specificity. In addition, G9 in GR5 is a position not found in most 17E or 8‐17 DNAzymes, and G9 needs to be added to rescue GR5 activity if T12 becomes a cytosine. This study highlights the links between these two classic and widely used DNAzymes, and offers new insight into the sequence–activity relationship related to metal selectivity.
Transition‐Metal‐Free Reverse Reactivity of (2‐Alkynyl)‐Arylaldimines: Assembly of Functionalized Amino‐Indinones
Authors: Saini Kapil Mohan , Saunthwal Rakesh K. , Sushmita  , Verma Akhilesh K. 
Published: November 2019

AbstractTransition‐metal‐free regioselective synthesis of functionalized amino‐indenones by the reaction of ortho‐alkynylaldehydes with a broad range of primary amines by intramolecular cyclization has been described. The designed reaction proceeds through KOH‐mediated Prins‐type cyclization and DMSO‐promoted oxidation of the cyclopent‐2‐en‐1‐one system. The proposed mechanism and role of solvent were well supported by control experiments. For the first time, we have disclosed the reverse reactivity of (2‐alkynyl)‐arylaldimines in a super basic system.
Barium‐Catalysed Dehydrocoupling of Hydrosilanes and Borinic Acids: A Mechanistic Insight
Authors: Le Coz Erwann , Zhang Ziyun , Roisnel Thierry , Cavallo Luigi , Falivene Laura , Carpentier Jean‐François , Sarazin Yann 
Published: November 2019

AbstractTwo very rare cases of barium boryloxides, the homoleptic [Ba(OB{CH(SiMe3)2}2)2⋅C7H8] and the heteroleptic [{LONO4}BaOB{CH(SiMe3)2}2] stabilised by the multidentate aminoetherphenolate {LONO4}−, are presented, and their structural properties are discussed. The electron‐deficient [Ba(OB{CH(SiMe3)2}2)2⋅C7H8] shows, in particular, resilient η6‐coordination of the toluene molecule. Together with its amido parents [Ba{N(SiMe3)2}2⋅thf2] and [Ba{N(SiMe3)2}2]2, this complex catalyses the fast and chemoselective dehydrocoupling of borinic acids R2BOH and hydrosilanes HSiR′3, yielding borasiloxanes R2BOSiR′3 in a controlled fashion. The assessment of substrate scope indicates that, for now, the reaction is limited to bulky borinic acids. Kinetic analysis shows that the rate‐limiting step of the catalytic manifold traverses a dinuclear transition state. A detailed mechanistic scenario is proposed on the basis of DFT computations, the results of which are fully consistent with experimental data. It consists of a stepwise process with rate‐determining nucleophilic attack of a metal‐bound O‐atom onto the incoming hydrosilane, involving throughout dinuclear catalytically active species.
Effect of enantiomerism on the bioequivalence of a new ibuprofen 600‐mg tablet formulation obtained by roller compaction
Authors: Matji Antonio , Vargas Emilio , Carvajal Luis , Terleira Ana Isabel , Portolés Antonio , Garcia‐Arieta Alfredo , Torrado Juan J. , Serrano Dolores R. 
Published: November 2019

AbstractThe bioequivalence of a new ibuprofen 600‐mg film‐coated tablet obtained by roller compaction was studied in a crossover study with 22 healthy volunteers. Bioequivalence was analyzed based on (a) the S‐enantiomer, (b) the R‐enantiomer, and (c) the sum of both enantiomers (representing the results of an achiral assay). The bioequivalence conclusion for ibuprofen products should be based not only on AUC and Cmax but also on tmax since tmax is related to the onset of action. However, it is not possible to ensure if bioequivalence has been demonstrated for tmax as regulators have not defined the acceptance range for the difference between medians of tmax in those cases, where tmax is clinically relevant. In this study, it was possible to conclude bioequivalence for tmax based on S‐ibuprofen, though this conclusion might be questioned if the decision is based on R‐ibuprofen or the achiral method.
Lithium‐air battery
Authors: Rosenberg Dominique , Jansen Walter 
Published: November 2019

AbstractBatterien auf Lithium‐Ionen‐Basis sind in der heutigen Zeit die meistverwendeten Energiespeicher für Elektronikgeräte wie Tablets, Smartphones und Co. Auch in der Automobilbranche im Bereich der Elektro‐ und Hybridfahrzeuge sowie bei der Energiewende gelten sie als Hoffnungsträger zur Energiespeicherung. Dabei wird vor allem an verschiedenen Elektrolyten und Elektrodenmaterialien der Lithium‐Ionen‐Technologie geforscht. Eine leistungsstärkere Alternative könnte die Lithium‐Sauerstoff‐Batterie sein. Diese lässt sich mit verschiedenen Versuchsaufbauten für den Chemieunterricht und dem Hochschulpraktikum gut darstellen und leicht experimentell untersuchen.
Novel Pyrimidines as Multitarget Protein Tyrosine Kinase Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis (IPF)
Authors: Sun Bo , Liu Xiaowen , Zheng Xu , Wang Changyuan , Meng Qiang , Sun Huijun , Shu Xiaohong , Liu Kexin , Sun Xiuli , Li Yanxia , Ma Xiaodong 
Published: November 2019

AbstractA new class of pyrimidine derivatives were identified as potent protein tyrosine kinase (PTK) inhibitors for the treatment of idiopathic pulmonary fibrosis (IPF). Most of these small‐molecule inhibitors displayed strong enzymatic activity against BTK and JAK3 kinases at concentrations lower than 10 nM. The representative compound N‐(3‐((5‐chloro‐2‐(4‐((1‐morpholino)acetylamino)phenylamino)‐4‐pyrimidinyl)amino)phenyl)acrylamide (6 a) also exhibited high inhibitory potency toward both BTK and JAK kinase families, as well as ErbB4, at a concentration of 10 nM, achieving rates of inhibition higher than 57 %. Additionally, in vivo biological evaluations showed that 6 a can remarkably decrease the severity of IPF disease. All these investigations suggested that the multi‐PTK inhibitor 6 a may serve as a promising agent for the treatment of IPF.
Evolutionary shifts dramatically reorganized the human hippocampal complex
Authors: Schilder Brian M. , Petry Heywood M. , Hof Patrick R. 
Published: November 2019

AbstractThe hippocampal complex (HC) is central to long‐term memory storage and retrieval as well as spatial navigation across many species. Notably, humans appear to have greatly enhanced and possibly unique HC‐mediated capacities such as constructive episodic simulation. Key studies have shown that the human HC is disproportionately large amongst hominoids, but much remains unknown at the levels of substructural evolutionary reorganization and ecological selection. Here, we calculated relative sizes of 12 HC subregions in a diverse sample of 44 primate species. We then used a Bayesian phylogenetic method, selective regime analysis, to identify 27 separate evolutionary shifts in HC organization across 65 million years of primate evolution. Additionally, a series of multivariate phylogenetic regressions using HC‐related ecological variables as predictors (Diet Breadth, Population Density, Group Size, Home Range Size, and Residual Home Range) revealed that relative fascia dentata and CA1 size were both significantly predicted by species' home range size (after correcting for body size). However, perhaps the most notable finding of this study was that the shifts in HC size and subregional organization in the human lineage were the largest seen in all of primate evolution, rendering modern humans with a HC that is a clear outlier amongst all nonhuman primates investigated here. Given the extensive literature confirming the relationship between HC organization and function, these selective shifts are likely to have played a significant role in the emergence of human‐specific capacities, such as constructive episodic simulation.
Boolean Logic Networks Mimicked with Chimeric Enzymes Activated/Inhibited by Several Input Signals
Authors: Bollella Paolo , Bellare Madhura , Kadambar Vasantha Krishna , Guo Zhong , Alexandrov Kirill , Melman Artem , Katz Evgeny 
Published: November 2019

AbstractReactions catalyzed by artificial allosteric enzymes, chimeric proteins with fused biorecognition and catalytic units, were used to mimic multi‐input Boolean logic systems. The catalytic parts of the systems were represented by pyrroloquinoline quinone‐dependent glucose dehydrogenase (PQQ‐GDH). Two biorecognition units, calmodulin or artificial peptide‐clamp, were integrated into PQQ‐GDH and locked it in the OFF or ON state respectively. The ligand‐peptide binding cooperatively with Ca2+ cations to a calmodulin bioreceptor resulted in the enzyme activation, while another ligand‐peptide bound to a clamp‐receptor inhibited the enzyme. The enzyme activation and inhibition originated from peptide‐induced allosteric transitions in the receptor units that propagated to the catalytic domain. While most of enzymes used to mimic Boolean logic gates operate with two inputs (substrate and co‐substrate), the used chimeric enzymes were controlled by four inputs (glucose – substrate, dichlorophenolindophenol – electron acceptor/co‐substrate, Ca2+ cations and a peptide – activating/inhibiting signals). The biocatalytic reactions controlled by four input signals were considered as logic networks composed of several concatenated logic gates. The developed approach allows potentially programming complex logic networks operating with various biomolecular inputs representing potential utility for different biomedical applications.
Luminescent and Chiroptical Properties of 1 : 1 Eu (III) : Tetracycline Species Probed by Circularly Polarized Luminescence
Authors: Deol Kirandeep K. , Muller Gilles 
Published: November 2019

AbstractThis study investigates the significantly different luminescent and chiroptical properties of tetracycline (TC) when coordinated to Eu(III). The approach involves understanding the 1) speciation of TC and 2) conformation and species formed between Eu(III) and TC in a ratio of 1 : 1 in a dimethylformamide (DMF) solution and as a function of the pH value. By identifying the conformational changes of the various 1 : 1 Eu(III) : TC species, the results from this study explain information on the local microenvironment about the Eu(III) metal center. In particular, 5D0←7F0 Eu(III) laser excitation spectroscopy was employed to distinguish the different types of species found in solution in order to understand the interaction between Eu(III) and TC. On the other hand, circularly polarized luminescence (CPL) spectroscopy was used to understand the structural changes within the 1 : 1 Eu(III) : TC complex that could be related to the chirality of the Eu(III)‐containing species. The CPL spectrum serves as a “fingerprint” to indicate the conformational changes within the 1 : 1 Eu(III) : TC complex as a result of the chiroptical signal arising from the various Eu(III) : TC species.
Associations between maternal depression and mother and infant oxytocin receptor gene (OXTR_rs53576) polymorphisms
Authors: Asherin Ryan M. , Everhart Kevin D. , Stophaeros Sunny L. , Vogeli Jo M. , Fowler Joshua , Phiel Christopher J. , Kaplan Peter S. 
Published: November 2019

AbstractPolymorphisms in the oxytocin receptor gene, OXTR_rs53576, have been linked to differences in maternal sensitivity and depressive symptoms. Although some studies suggest the A allele confers risk for mood disorders, individuals homozygous for the G allele may exhibit greater sensitivity to both positive and negative social experiences, including in the mother–infant dyad. Given the bi‐directional nature of mother–infant influences on maternal mood, we tested the association between both mothers’ and infants’ OXTR_rs53576 genotype and maternal depression, as assessed through a self‐report inventory. Although Beck Depression Inventory (BDI‐II) scores were significantly higher for GG in comparison to AG/AA mothers, and for mothers of GG in comparison to AG/AA infants, an ANCOVA revealed that after sociodemographic risk factors had been controlled, infants’, but not mothers’, OXTR genotype predicted maternal depression scores, with no significant interaction between the two. The effect of infant OXTR on maternal depression was not explained by maternal reports of difficult infant temperament. We propose that GG infants have an enhanced capacity for processing both positive and negative socially meaningful contextual information, first amplifying and then differentially perpetuating negative affectivity in mothers who exhibit depressive characteristics.
A New Approach for Voltammetric Determination of Nefopam and its Metabolite
Authors: Dubenska Liliya , Dushna Olha , Pysarevska Solomiya , Blazheyevskiy Mykola 
Published: November 2019

AbstractIn present paper we described a new simple voltammetric method of determination of nefopam alkaloid and its metabolite – N‐oxide. N‐oxide of nefopam is reduced at the dropping mercury electrode (DME) and silver solid amalgam electrodes (AgSAE), which can effectively replace mercury and chemically modified electrodes. The reduction consists of two one‐electron stages each accompanied with one proton transfer. N‐oxide of nefopam can be obtained from nefopam substance by oxidation with potassium peroxymonosulfate. It was studied the effect of various factors on N‐oxide quantitative yield (pH, oxidation duration, reagents concentration) as well as on the reduction of N‐oxide at DME and p‐AgSAE (pH, the nature of background electrolyte, potential and time of accumulation). It was showed that the reduction current linearly increased with increasing of concentration of analgesic. Limit of quantiation is 10−6 mol L−1 at DME and 10−7 mol L−1 at p‐AgSAE. The developed method was applied for the analysis of commercial drug solution for injection “Nefopam” with recovery of 96.7 %, as well as for the spiked human urine samples. Excellent repeatability with a relative standard deviation below 5 % was achieved.
High‐quality tweet generation for online behavior security management based on semantics measurement
Authors: Qin Tao , Wang Bo , Liu Zhaoli , Chen Zhouguo , Ding Jianwei 
Published: November 2019

AbstractBehavior security management refers to monitoring and guiding the user's opinions in online social networks to reduce their harmful influence to social public security. Pushing designed tweets with specific contains to them is one of the promising ways to solve this problem. In this paper, we developed a new method for high‐quality supervision tweet generation, which not only considers the semantics of the tweets but also includes the supervision requirement of different aspects. Firstly, we collect millions of tweets of six typical events. Following, we construct a sentiment lexicon suitable for online behavior analysis, and we also construct a lexicon for tweet preprocessing and emotional score calculation. Secondly, to include the semantics during sentence similarity calculation, we employ the tweets collected to train the word2vec model and employ the sum of the word vectors in specific sentences to form the sentence vector. Finally, we employ the TextRank to generate the supervision tweet. Experimental results based on data collected showed that the proposed methods outperform other related traditional methods, which can be used for effective social security management.
Comparative study of two corrective gradient models in the simulation of multiphase flows using moving particle semi‐implicit method
Authors: Liu Xiaoxing , Morita Koji , Zhang Shuai 
Published: November 2019

SummaryIn this study, two corrective gradient models (CGMs) are compared in the simulation of multiphase flows. Linear consistency of the gradient model of moving particle semi‐implicit (MPS) method has been recovered by introducing corrective matrix. However, it is found that particles tend to disperse along the streamline while using the CGM proposed in a previous study. Particle shifting (PS) schemes are necessary to reduce the irregularity of particle distribution to stabilize the calculation. To enhance the accuracy and stability, another CGM with dummy particle (CGMD) was proposed in our previous study. This enhanced CGM is featured by linear consistency and purely repulsive pressure gradient force. In this study, this enhanced CGM is modified and applied to multiphase flow simulation. Comparative study suggests that the modified CGM with PS scheme is capable of calculating various multiphase flows and predicting the interface evolution both clearly and accurately.
Arbitrage opportunities, liquidity provision, and trader types in an index option market
Authors: Chen Chin‐Ho , Chiu Junmao , Chung Huimin 
Published: November 2019

AbstractThis study examines the impact of arbitrage in put–call futures parity (PCFP) violations on option market liquidity and explores the liquidity provision process by trader type during periods of arbitrage exploitation. Using a unique data set comprising the complete history of transactions, we find that PCFP violations contain toxic arbitrage opportunities. Hence, more frequent toxic arbitrage opportunities can cause liquidity to deteriorate because arbitrageurs create adverse selection costs and order imbalances in the option market. In addition, when the law of one price breaks down, market makers dominate by providing liquidity compared with individual, domestic, and foreign institutional traders.
Zircon U–Pb dating, geochemical, and Sr–Nd isotopic characteristics of Duobagou trachyandesite from Dunhuang, NW China: Implications for crust–mantle interaction
Authors: Wang Zhendong , Guo Zhaojie , Yu Xiangjiang , Zhang Yuanyuan 
Published: November 2019

AbstractComprehensive petrological, zircon U–Pb dating, whole‐rock geochemical, and Sr–Nd isotopic data are reported for the Duobagou volcanic rocks, intercalated with terrigenous clastic sequence, composing former Jurassic strata located at southeastern Dunhuang region, NW China. Duobagou volcanic interlayer is mainly composed of trachyandesite. LA–ICP–MS zircon dating yields a weighted mean 206Pb/238U age of 201.4 ± 3.4 Ma, affirming the formation of Late Triassic. The trachyandesites are characterized by enrichment of LREE relative to HREE with negative Eu, Sr, and Ti anomalies. The εNd(t) values (−0.24–1.91) and (87Sr/86Sr)i (0.7037–0.7049) shows an affinity of OIB. The Duobagou trachyandesite and Lucaogou basalt were proposed to be produced via 1–5% and 10–20% partial melting of the spinel–garnet‐bearing metasomatic enriched mantle and crystal fractionation coupled with slight extents of crustal contamination. Due to the delamination of thickened continental crust and asthenosphere upwelling, lower crustal material metasomatized and enriched the mantle source, leading to the eruption of trachyandesite. The Duobagou trachyandesite, Lucaogou sub‐alkaline basalt and thick sedimentary strata revealed that the Dunhuang region remained in an extension setting accompanied by rifting from Late Triassic to Middle Jurassic.
Differential effects of glucose deprivation on the survival of fetal versus adult neural stem cells‐derived oligodendrocyte precursor cells
Authors: Baldassarro Vito Antonio , Marchesini Alessandra , Giardino Luciana , Calzà Laura 
Published: November 2019

AbstractImpaired myelination is a key feature in neonatal hypoxia/ischemia (HI), the most common perinatal/neonatal cause of death and permanent disabilities, which is triggered by the establishment of an inflammatory and hypoxic environment during the most critical period of myelin development. This process is dependent on oligodendrocyte precursor cells (OPCs) and their capability to differentiate into mature oligodendrocytes. In this study, we investigated the vulnerability of fetal and adult OPCs derived from neural stem cells (NSCs) to inflammatory and HI insults. The resulting OPCs/astrocytes cultures were exposed to cytokines to mimic inflammation, or to oxygen–glucose deprivation (OGD) to mimic an HI condition. The differentiation of both fetal and adult OPCs is completely abolished following exposure to inflammatory cytokines, while only fetal‐derived OPCs degenerate when exposed to OGD. We then investigated possible mechanisms involved in OGD‐mediated toxicity: (a) T3‐mediated maturation induction; (b) glutamate excitotoxicity; (c) glucose metabolism. We found that while no substantial differences were observed in T3 intracellular content regulation and glutamate‐mediated toxicity, glucose deprivation lead to selective OPC cell death and impaired differentiation in fetal cultures only. These results indicate that the biological response of OPCs to inflammation and demyelination is different in fetal and adult cells, and that the glucose metabolism perturbation in fetal central nervous system (CNS) may significantly contribute to neonatal pathologies. An understanding of the underlying molecular mechanism will contribute greatly to differentiating myelination enhancing and neuroprotective therapies for neonatal and adult CNS white matter lesions.
The effect of jaw exercises on anxiety and depression in patients with head and neck cancer receiving radiotherapy: Prospective 2‐year follow‐up study
Authors: Aghajanzadeh Susan , Karlsson Therese , Tuomi Lisa , Finizia Caterina 
Published: November 2019

AbstractBackgroundThis nonrandomized matched study investigates jaw exercise effect on anxiety/depressive symptoms in head and neck cancer patients with trismus during 2 years postradiotherapy.MethodsFifty patients with trismus postradiotherapy were included in a 10‐week jaw‐training intervention. A matched control group was included (N = 50). Maximum interincisal opening (MIO) ≤ 35 mm was used as the trismus criterion. Patients were assessed using MIO and Hospital Anxiety Depression Scale preintervention, postintervention, and at 2‐year follow‐up.ResultsA significant difference was found in depressive symptoms between the intervention group and control group (4% vs 33%) at 2‐year follow‐up, with more control group patients reporting possible depression. In the intervention group, significantly fewer patients had possible/probable depressive symptoms at follow‐up (4%) compared to preintervention (34%). No change was seen within the control group.ConclusionStructured jaw exercise in patients with postradiation trismus had positive effects on MIO and depressive symptoms but does not seem to have any significant effects on anxiety symptoms.