bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dysregulated circular RNAs in medulloblastoma regulate proliferation and growth of tumor cells via host genes
Authors: Lv Tao , Miao Yi‐Feng , Jin Ke , Han Shuo , Xu Tian‐Qi , Qiu Zi‐Long , Zhang Xiao‐Hua 
Published: November 2018

AbstractCircular RNAs (circRNAs) have been demonstrated to be involved in various biological processes. Nevertheless, the function of circRNAs in medulloblastoma (MB) is still unknown. The present study aimed to investigate the expression profiles of circRNAs and related mechanisms for regulating the proliferation and growth of tumor cells in MB. The expression profiles of circRNAs were screened from four normal cerebellum and four MB samples using a HiSeq Sequencer. Bioinformatic analysis was employed to predict the interaction between circRNAs and mRNAs in MB. Subsequently, the expression levels of eight differential circRNAs [circ‐SKA3 (hsa_circ_0029696), circ‐DTL (hsa_circ_0000179), circ‐CRTAM, circ‐MAP3K5 (hsa_circ_0006856), circ‐RIMS1‐1 (hsa_circ_0132250), circ‐RIMS1‐2 (hsa_circ_0076967), circ‐FLT3‐1 (hsa_circ_0100165), and circ‐FLT3‐2 (hsa_circ_0100168)] were validated using quantitative reverse transcription−polymerase chain reaction. Moreover, circ‐SKA3 and circ‐DTL were silenced using small interfering RNAs and their host genes were overexpressed to investigate their role in the pathogenesis of MB. A total of 33 circRNAs were found to be differentially expressed in MB tissues (fold change ≥ 2.0, FDR <0.05), of which three were upregulated and 30 were downregulated; six circRNAs were experimentally validated successfully. Upregulated circ‐SKA3 and circ‐DTL promoted the proliferation migration and invasion in vitro by regulating the expression of host genes. This novel study exploited the profiling of circRNAs in MB and demonstrated that circ‐SKA3 and circ‐DTL were crucial in the tumorigenesis and development of MB and might be considered as novel and potential biomarkers for the diagnosis and new targets for the intervention of MB.
Colloidal Fluorophore Aggregates for the Selective Detection of Albumins in Solution and on Electrophoresis Gels
Authors: Park Jihee , Kim Youngmi 
Published: November 2018

AbstractWe report a fluorescent probe that is highly sensitive and selective for serum albumins. Signal transduction results from the disassembly of fluorescence‐quenched aggregates upon binding to human serum albumin (HSA). The probe offers a rapid (≤2 s) fluorometric assay of HSA in phosphate‐buffered saline, urine, or blood serum with a high signal‐to‐noise ratio. It is also useful as a wash‐free prestaining reagent for detecting HSA on electrophoresis gels.
Concurrent phyllodes tumor, eccrine carcinoma, and multinodular goiter 20 years after radiotherapy for Hodgkin lymphoma
Authors: Quinn Kristen M. , Tozbikian Gary , Carson William E. 
Published: November 2018

Key Clinical MessageThis unusual case of concurrent eccrine adenocarcinoma, phyllodes tumor, and multinodular goiter serves to alert the oncologic community to the high prevalence of second cancers after childhood radiotherapy. Increased surveillance and index of suspicion are recommended to successfully diagnose and treat second primary cancers in this vulnerable population.
Antioxidant Activity of an Industrial Cupuassu Seed By‐product: Molecular Modeling of Phenolic Compounds
Authors: Silva da Costa Russany , de Farias Silva Natália , Gabbay Alves Taís Vanessa , Fernandes da Silva Milena , do Socorro Barros Brasil Davi , Ribeiro-Costa Roseane Maria , Converti Attilio , Carréra Silva José Otávio 
Published: November 2018

AbstractTo better understand the biological properties of cupuassu seed residue resulting from fruit industrial processing, its antioxidant activity was determined by both the 2,2‐diphenyl‐1‐picrylhydrazyl and 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) assays. Molecular modeling was used to correlate the antiradical power of eleven known cupuassu phenolic compounds with their structures. The extract antioxidant activity by both methods was very high compared with those of similar residues. The properties of the highest occupied and lowest unoccupied molecular orbitals indicate that the most energetically stable compounds possess the highest antioxidant activity. This was confirmed through the molecular electrostatic potential map by the nucleophilic surfaces on the oxygen atoms of carbonyl and hydroxyl groups.
Origin of the Photoinduced Geometrical Change of Copper(I) Complexes from the Quantum Chemical Topology View
Authors: Gutiérrez‐Arzaluz Luis , Ramírez‐Palma David Ignacio , Ramírez‐Palma Lillian G. , Barquera‐Lozada José Enrique , Peon Jorge , Cortés‐Guzmán Fernando 
Published: November 2018

AbstractCopper(I) complexes (CICs) are of great interest due to their applications as redox mediators and molecular switches. CICs present drastic geometrical change in their excited states, which interferes with their luminescence properties. The photophysical process has been extensively studied by several time‐resolved methods to gain an understanding of the dynamics and mechanism of the torsion, which has been explained in terms of a Jahn–Teller effect. Here, we propose an alternative explanation for the photoinduced structural change of CICs, based on electron density redistribution. After photoexcitation of a CIC (S0→S1), a metal‐to‐ligand charge transfer stabilizes the ligand and destabilizes the metal. A subsequent electron transfer, through an intersystem crossing process, followed by an internal conversion (S1→T2→T1), intensifies the energetic differences between the metal and ligand within the complex. The energy profile of each state is the result of the balance between metal and ligand energy changes. The loss of electrons originates an increase in the attractive potential energy within the copper basin, which is not compensated by the associated reduction of the repulsive atomic potential. To counterbalance the atomic destabilization, the valence shell of the copper center is polarized (defined by ∇2ρ(r) and ∇2Vne(r)) during the deactivation path. This polarization increases the magnitude of the intra‐atomic nuclear–electron interactions within the copper atom and provokes the flattening of the structure to obtain the geometry with the maximum interaction between the charge depletions of the metal and the charge concentrations of the ligand.
Construction of a DNA‐Based Supramolecular Nanosheet That Emits Bluish‐White Light from Charge‐Transfer Excited States of the Nucleobases
Authors: Iwaura Rika 
Published: November 2018

Abstract1,ω‐Inosinic acid‐bearing bolaamphiphiles dI(18), dI(19), and dI(20) with a 3′‐phosphorylated inosine as a universal base connected to each end of an oligomethylene chain were synthesized for the first time. Single‐component self‐assemblies of these bolaamphiphiles and their binary self‐assemblies with salmon sperm DNA were studied by AFM; temperature‐dependent UV absorption, fluorescence, and circular dichroism spectroscopy; and gel electrophoresis. The binary self‐assembly of dI(20) and salmon sperm DNA (dI(20)‐DNA) had a nanosheet structure with a homogeneous thickness of about 6 nm and widths of several micrometers. Interestingly, an aqueous solution of the nanosheets showed a broad absorption band originating from the charge‐transfer (CT) states of the nucleobase in the long‐wavelength region (>300 nm), and the molar absorptivity per nucleobase was calculated to be approximately 150 times that of single‐stranded (dT20 and dA20) and double‐stranded (dT20‐dA20) oligonucleotides. In addition, a continuous and broad emission band originating from CT excited states of the nucleobases was observed in the visible region. These observations indicate that CT states of the nucleobases were formed and stabilized in the supramolecular nanosheet and that bluish white light was emitted from CT excited states of the nucleobases.
Phosphorus versus Sulfur: Discovery of Benzenephosphonamidates as Versatile Sulfonamide‐Mimic Chemotypes Acting as Carbonic Anhydrase Inhibitors
Authors: Nocentini Alessio , Gratteri Paola , Supuran Claudiu T. 
Published: November 2018

AbstractThe first zinc‐binding group (ZBG) to have been identified as inhibitor of the metallo‐enzymes carbonic anhydrases (CA, EC 4.2.1.1) was the sulfonamide. From then on several classes of zinc‐binders have been described. This work reports the benzenephosponamidates as a new chiral aromatic sulfonamide‐mimic ZBG able to meet the requirements for effectively binding the enzyme active site. Several low micromolar CA I, II, VII, IX inhibitors were thus detected. Kinetic studies, QM‐polarized ligand docking, and MM‐GBSA in silico methods were used to characterize this newly identified CA inhibitor chemotype.
Single C−F Bond Activation of the CF3 Group with a Lewis Acid: CF3‐Cyclopropanes as Versatile 4,4‐Difluorohomoallylating Agents
Authors: Fuchibe Kohei , Oki Rie , Hatta Hibiki , Ichikawa Junji 
Published: November 2018

AbstractThe selective activation of one C−F bond (single activation) of the CF3 group on cyclopropanes was achieved for the first time. When (trifluoromethyl)cyclopropanes were treated with arenes, allylsilanes, silyl enol ethers, or hydrosilanes in the presence of Me2AlCl, fluoride elimination and the subsequent ring opening proceeded to afford 4,4‐difluorohomoallylated products. In the absence of external nucleophiles, an alkyl group of AlR3 was effectively introduced to provide the corresponding 1,1‐difluoroalkenes.
Porphyrin‐Stabilized Nitrenium Dication
Authors: Fujimoto Keisuke , Shimizu Daiki , Osuka Atsuhiro 
Published: November 2018

AbstractAn azepine‐fused NiII‐porphyrin dimer was synthesized by oxidative amination of β–β linked NiII‐porphyrin dimer, and its N‐aryl congener was synthesized by twofold Buchwald–Hartwig amination of β‐to‐β linked and dichlorinated NiII‐porphyrin dimer. Oxidation of the NH congener gave neutral aminyl radical and nitrenium ion successively in a similar manner to the previously reported NH‐bridged NiII‐porphyrin dimer. Oxidation of the N‐aryl congener afforded formal nitrenium dication in a single‐step two‐electron oxidation. Stable nitrenium dications that are isoelectronic to neutral trivalent boron compounds and tertiary carbocations are rare. The chemical stability of the nitrenium dication was improved by chlorine substitution at the most reactive β‐position. The structural, optical, magnetic, electrochemical properties of these compounds were fully characterized.
Atopic dermatitis as Th2 disease revisited
Authors: Tokura Yoshiki , Phadungsaksawasdi Pawit , Ito Taisuke 
Published: November 2018

AbstractT helper 1 (Th1) and T helper 2 (Th2) populations are a classical dichotomy to understand the immunological disorders, and this concept remains vital in atopic dermatitis (AD). While IL‐4 and IL‐13 are produced mainly by Th2 cells, mast cells, and basophils, these cytokines target these producers, indicating the presence of autocrine and paracrine stimulation. There are two types of receptors for IL‐4 and IL‐13, type I and type II. IL‐4 binds to both type I and II receptors, while IL‐13 has affinity to type II. Dupilumab is an IL‐4Rα‐antagonist that inhibits IL‐4 and IL‐13 signaling through blockade of the shared IL‐4α subunit. The Th2‐stimulating effect of thymic stromal lymphopoietin (TSLP) is triggered by its binding to TSLP receptor (TSLPR) on Th2 cells. The frequency of TSLPR+CD4+ T cells correlates with disease activity. CD4+ T cells directly interact with TSLP to produce a high amount of IL‐4. Conversely, IL‐4 induces TSLPR expression in T cells. Moreover, TSLP and IL‐4 promote CCR4 expression, which is a chemokine receptor for CCL17/TARC. Langerhans cells initiate epicutaneous sensitization with protein antigens and induce Th2 cell–mediated immune responses via TSLP signaling. Filaggrin deficiency, which cornified layer‐damaged skin allows protein antigens to penetrate through the stratum corneum, leads to allergy where IL‐4 and IL‐13 are overproduced. Subsequently, IL‐4 and IL‐13 further depress filaggrin expression with vicious cycle. AD is generally a Th2 disease, but there exist several exceptional and undeniable facts to be considered, including Th1‐activated intrinsic AD, Th1‐infiltrating chronic AD skin lesions, and Th17 involvement.
Bioequivalence of the Once‐Daily Single‐Tablet Regimen of Darunavir, Cobicistat, Emtricitabine, and Tenofovir Alafenamide Compared to Combined Intake of the Separate Agents and the Effect of Food on Bioavailability
Authors: Crauwels Herta M. , Baugh Bryan , Van Landuyt Erika , Vanveggel Simon , Hijzen Anja , Opsomer Magda 
Published: November 2018

AbstractThe effect of food on the bioavailability of the components of the once‐daily, single‐tablet human immunodeficiency virus (HIV) type 1 regimen containing darunavir (DRV 800 mg), cobicistat (COBI 150 mg), emtricitabine (FTC 200 mg), and tenofovir alafenamide (TAF 10 mg) (D/C/F/TAF) (NCT02475135) and the bioequivalence of D/C/F/TAF versus combined intake of the separate agents (NCT02578550) were evaluated. These were 2 phase 1, open‐label, randomized, 2‐period crossover studies (7‐day washout between treatments) in HIV‐negative healthy volunteers. Twenty‐four participants each received a single dose of D/C/F/TAF in fasted conditions (test) or after a standardized high‐fat breakfast (reference). Ninety‐six participants each received a single dose of D/C/F/TAF (test) or combined intake of a single DRV 800‐mg tablet, a COBI 150‐mg tablet, and an FTC/TAF 200/10‐mg tablet (reference), both after a standardized regular‐calorie, regular‐fat breakfast. Pharmacokinetic profiles for all D/C/F/TAF components, safety, and tolerability were assessed. Following D/C/F/TAF in fasted conditions, DRV peak concentration, area under the concentration‐time curve from time of administration until the last time point with a measurable concentration (AUC)last, and extrapolated to infinity (AUCinf) were lower by 45%, 34%, and 30%, respectively, compared with fed conditions, with no clinically relevant differences in COBI, FTC, or TAF exposures between fed and fasted conditions. In the bioequivalence study 90% confidence intervals of the geometric mean ratios of all main pharmacokinetic parameters were within the 80.00% to 125.00% bioequivalence limits for DRV, COBI, FTC, and TAF. No grade 3/4 adverse events (AEs), serious AEs, deaths, or discontinuations due to AEs occurred. D/C/F/TAF is bioequivalent to combined administration of the separate agents. Consistent with other (co)formulations of DRV, DRV exposure was lower in fasted than in fed conditions as evaluated when taken with food, so D/C/F/TAF should be taken with food.
Application global state monitoring in optimization of parallel event‐driven simulation
Authors: Maśko Łukasz , Tudruj Marek 
Published: November 2018

SummaryThe paper is concerned with discrete event‐driven simulation, which is a well‐known technique used for modeling and simulating complex parallel systems. The focus of the paper is on distributed simulation, in which multiple simulated event queues are processed in parallel according to the Time Warp approach. With this approach, parallel simulation based on event queues is allowed to progress in an optimistic way until event correlation errors appear in parallel simulation branches what results in simulation rollbacks. In the absence of synchronization between simulator parallel queues, massive processing rollbacks can strongly slow down simulation. The paper presents a distributed optimistic event‐driven simulation control based on simulator global state monitoring. A systematic control of the simulator global states prevents excessive rollbacks in the Time Warp simulation. Each simulation event queue reports its progress to a global synchronizer which monitors the global simulation state based on virtual timestamps of recently processed events. Based on the global state, the synchronizer checks the simulation progress and sends control signals which asynchronously slow down servicing too advanced queues. The paper describes the principles of the proposed approach and experimental results of its basic program implementation. Comparisons to existing parallel simulation methods are provided.
CyberGIS‐Jupyter for reproducible and scalable geospatial analytics
Authors: Yin Dandong , Liu Yan , Hu Hao , Terstriep Jeff , Hong Xingchen , Padmanabhan Anand , Wang Shaowen 
Published: November 2018

SummaryThe interdisciplinary field of cyberGIS (geographic information science and systems (GIS) based on advanced cyberinfrastructure) has a major focus on data‐ and computation‐intensive geospatial analytics. The rapidly growing needs across many application and science domains for such analytics based on disparate geospatial big data poses significant challenges to conventional GIS approaches. This paper describes CyberGIS‐Jupyter, an innovative cyberGIS framework for achieving data‐intensive, reproducible, and scalable geospatial analytics using Jupyter Notebook based on ROGER, the first cyberGIS supercomputer. The framework adapts the Notebook with built‐in cyberGIS capabilities to accelerate gateway application development and sharing while associated data, analytics, and workflow runtime environments are encapsulated into application packages that can be elastically reproduced through cloud‐computing approaches. As a desirable outcome, data‐intensive and scalable geospatial analytics can be efficiently developed and improved and seamlessly reproduced among multidisciplinary users in a novel cyberGIS science gateway environment.
Probing Adsorption Configurations of Small Molecules on Surfaces by Single‐Molecule Tip‐Enhanced Raman Spectroscopy
Authors: Zhang Yao , Zhang Rui , Jiang Song , Zhang Yang , Dong Zhen‐Chao 
Published: November 2018

AbstractDetermining the adsorption configurations of organic molecules on surfaces, especially for relatively small molecules, is a key issue for understanding the microscopic physical and chemical processes in surface science. In this work, we have applied low‐temperature ultrahigh‐vacuum tip‐enhanced Raman scattering (TERS) technique to distinguish the configurations of small 4,4′‐bipyridine (44BPY) molecules adsorbed on the Ag(111) surface. The observed Raman spectra exhibit notable differences in the spectral features which can be assigned to three different molecular orientations, each featuring a specific fingerprint pattern based on the TERS selection rule that determines the distribution of the relative intensities of different vibrational peaks. Furthermore, such a small molecule can in turn act as a local probe to provide information on the local electric field distribution at the tip apex. Our work showcases the capability of TERS technique for obtaining information on adsorption configurations of small molecules on surfaces down to the single‐molecule level, which is of fundamental importance for many applications in the fields of molecular science and surface chemistry.
Performance improvement of 60‐GHz wireless optical systems with reverse‐parallel hybrid modulation scheme
Authors: Bhatia Richa , Prakash Saurabh , Saini Ekta 
Published: November 2018

SummaryThis paper improves the performance of 60‐GHz wireless optical system including radio over fibre (RoF) and radio over free space optics (RoFSO), based on novel reverse‐parallel (RP) hybrid modulation scheme. This scheme combines the chromatic dispersion compensation technique of parallel modulation with energy efficiency manipulation technique of reverse modulation. Superior functioning of RoFSO is provided with reverse modulation compared with normal modulation. Comparative investigations are performed by loading 60‐GHz RF signal with 2.5 and 10‐Gbps data and modulating it with both reverse and hybrid modulators. Hybrid modulation performed better with improved BER of 10−23 at distance of 51 km for 2.5‐Gbps data compared with reverse modulation with BER of 10−7.
Harvesting effects on wild bee communities in bioenergy grasslands depend on nesting guild
Authors: Spiesman Brian J. , Bennett Ashley , Isaacs Rufus , Gratton Claudio 
Published: November 2018

AbstractConversion of annual crops to native perennial grasslands for bioenergy production may help conserve wild bees by enhancing nest and food resources. However, bee response to the disturbance of biomass harvesting may depend on their nesting location, thus their vulnerability to nest destruction, and the response of the forb community on which they forage. Moreover, because bees have long foraging ranges, effects of local harvesting may depend on the amount of natural habitat in the surrounding landscape. We performed a large‐scale one‐ and two‐year experiment in Michigan and Wisconsin, USA, respectively, to examine how grassland harvesting, landscape context, and study year affect the forb community, above‐ and belowground‐nesting bee species richness, community composition, trap nest emergence, and visitation rate. In Wisconsin, harvesting increased forb richness, cover, and evenness compared to unharvested control sites. Harvesting negatively affected aboveground‐nesting bee richness and emergence from trap nests, possibly because of nest destruction during the previous harvest. By contrast, harvesting positively affected belowground‐nesting bee richness, possibly because of the greater food resource availability and reduced thatch allowing greater access to nesting sites in the soil. Harvesting also affected bee community composition, reflecting the increase in belowground‐nesting species at harvested sites. Despite harvesting effects on forb and bee communities, there was no effect on flower visitation rate, indicating little effect on pollination function. We did not find a harvest by landscape context interaction, which, in combination with the negative harvesting effect on trap nest emergence, suggests that harvesting can affect local population growth rather than simply affecting forager aggregation in different resource environments. For bees, there was no harvest by study year interaction, indicating a consistent response over a short timescale. Similarly, in Michigan, belowground‐nesting species also responded positively to harvesting, which was more pronounced in sandier soils that are preferred for nesting. However, other components of the Michigan bee and forb communities were not significantly affected by biomass harvesting. Overall, our study demonstrates that harvesting grasslands can positively affect the ~80% of bee species that nest belowground by enhancing nest and/or forage resources, but that conserving aboveground nesters may require leaving some area unharvested.
Dissecting a potential spandrel of adaptive radiation: Body depth and pectoral fin ecomorphology coevolve in Lake Malawi cichlid fishes
Authors: Hulsey Christopher D. , Holzman Roi , Meyer Axel 
Published: November 2018

AbstractThe evolution of body shape reflects both the ecological factors structuring organismal diversity as well as an organism's underlying anatomy. For instance, body depth in fishes is thought to determine their susceptibility to predators, attractiveness to mates, as well as swimming performance. However, the internal anatomy influencing diversification of body depth has not been extensively examined, and changes in body depth could arise as a by‐product of functional changes in other anatomical structures. Using an improved phylogenetic hypothesis for a diverse set of Lake Malawi cichlid fishes, we tested the evolutionary association between body depth and the height of the pectoral girdle. To refine the functional importance of the observed substantial correlation, we also tested the coevolution of pectoral girdle height and pectoral fin area. The extensive coevolution of these traits suggests body depth in fishes like the Lake Malawi cichlids could diverge simply as a by‐product of being tightly linked to ecomorphological divergence in other functional morphological structures like the pectoral fins.