bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of pivotal lncRNAs in papillary thyroid cancer using lncRNA–mRNA–miRNA ceRNA network analysis
Authors: Liang Weiwei , Sun Fangfang 
Published: September 2019

Background
To identify pivotal lncRNAs in papillary thyroid cancer (PTC) using lncRNA–mRNA–miRNA ceRNA network analysis.

Methods
We obtained gene expression profiles from the gene expression omnibus database. Cancer specific lncRNA, cancer specific miRNA and cancer specific mRNA were identified. An integrated analysis was conducted to detect potential lncRNA–miRNA–mRNA ceRNA in regulating disease transformation. The lncRNA regulated gene ontology (GO) terms and regulated pathways were performed by function analysis. Survival analysis was performed for the pivotal lncRNAs.

Results
A total of four lncRNAs, 15 miRNAs and 375 mRNAs are identified as the key mediators in the pathophysiological processes of PTC. GO annotation enrichment analysis showed the most relevant GO terms are signal transduction, integral component of membrane and calcium ion binding. Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis showed different changed genes mainly enriched in pathways in cancer, PI3K-Akt signaling pathway and focal adhesion. Among four lncRNAs, only SLC26A4-AS1 was significantly associated with PTC patient disease free survival.

Conclusion
This study has constructed lncRNA–mRNA–miRNA ceRNA networks in PTC. The study provides a set of pivotal lncRNAs for future investigation into the molecular mechanisms.
Efficient quality assurance method with automated data acquisition of a single phantom setup to determine radiation and imaging isocenter congruence
Authors: Kang Hyejoo , Patel Rakesh , Roeske John C. 
Published: September 2019

AbstractWe developed a quality assurance (QA) method to determine the isocenter congruence of Optical Surface Monitoring System (OSMS, Varian, CA, USA), kilovoltage (kV), and megavoltage (MV) imaging, and the radiation isocenter using a single setup of the OSMS phantom for frameless Stereotactic Radiosurgery (SRS) treatment. After aligning the phantom to the OSMS isocenter, a cone‐beam computed tomography (CBCT) of the phantom was acquired and registered to a computed tomography (CT) scan of the phantom to determine the CBCT isocenter. Without moving the phantom, MV and kV images were simultaneously acquired at four gantry angles to localize MV and kV isocenters. Then, Winston‐Lutz (W‐L) test images of the central BB in the phantom were acquired to analyze the radiation isocenter. The gantry and couch were automatically controlled using the TrueBeam Developer Mode during MV, kV, and W‐L image acquisition. All the images were acquired weekly for 17 weeks to track the congruence of all the imaging modalities' isocenter in six‐dimensional (6D) translations and rotations, and the radiation isocenter in three‐dimensional (3D) translations. The shifts of isocenters of all imaging modalities and the radiation isocenter from the OSMS isocenter were within 0.2 mm and 0.2° on average over 17 weeks. The maximum discrepancy between OSMS and other imaging modalities or radiation isocenters was 0.8 mm and 0.3°. However, systematic shifts of radiation isocenter anteriorly and laterally relative to the OSMS isocenter were observed. The measured discrepancies were consistent from week‐to‐week except for two weeks when the isocenter discrepancies of 0.8 mm were noted due to drifts of the OSMS isocenter. Once recalibration was performed on OSMS, the discrepancy was reduced to 0.3 mm and 0.2°.By performing the proposed QA on a weekly basis, the isocenter congruencies of multiple imaging systems and radiation isocenter were validated for a linear accelerator.
Supramolecular‐Macrocycle‐Based Crystalline Organic Materials
Authors: Zhou Yujuan , Jie Kecheng , Zhao Run , Huang Feihe 
Published: September 2019

AbstractSupramolecular macrocycles are well known as guest receptors in supramolecular chemistry, especially host−guest chemistry. In addition to their wide applications in host−guest chemistry and related areas, macrocycles have also been employed to construct crystalline organic materials (COMs) owing to their particular structures that combine both rigidity and adaptivity. There are two main types of supramolecular‐macrocycle‐based COMs: those constructed from macrocycles themselves and those prepared from macrocycles with other organic linkers. This review summarizes recent developments in supramolecular‐macrocycle‐based COMs, which are categorized by various types of macrocycles, including cyclodextrins, calixarenes, resorcinarenes, pyrogalloarenes, cucurbiturils, pillararenes, and others. Effort is made to focus on the structures of supramolecular‐macrocycle‐based COMs and their structure–function relationships. In addition, the application of supramolecular‐macrocycle‐based COMs in gas storage or separation, molecular separation, solid‐state electrolytes, proton conduction, iodine capture, water or environmental treatment, etc., are also presented. Finally, perspectives and future challenges in the field of supramolecular‐macrocycle‐based COMs are discussed.
AI‐Enabled Parabolic Response Surface Approach Identifies Ultra Short‐Course Near‐Universal TB Drug Regimens
Authors: Horwitz Marcus A. , Clemens Daniel L. , Lee Bai‐Yu 
Published: September 2019

AbstractTuberculosis (TB) is a major health problem that causes more deaths worldwide than any other single infectious disease. Current multidrug therapy for tuberculosis is exceedingly lengthy, leading to poor drug adherence, and consequently the emergence of drug resistance. Hence, much more rapid treatments are needed. Experimentally identifying the most synergistic drug combinations among available drugs is complicated by the astronomical number of possible drug‐dose combinations. This problem is dealt with by the use of an artificial‐intelligence‐enabled parabolic response surface platform in conjunction with an in vitro Mycobacterium tuberculosis–infected macrophage cell culture assay amenable to high‐throughput screening. This strategy allows rapid identification of the most effective drug‐dose combinations by testing only a small fraction of the total drug‐dose efficacy response surface. The same platform is then used to optimize the in vivo doses of each drug in the most potent regimens. Thus, regimens are identified that are dramatically more effective than the Standard Regimen in treating TB in a mouse model—a model broadly predictive of drug efficacy in humans. The most effective regimens reported herein shorten the duration of treatment required to achieve relapse‐free cure by 80% and are suitable for treating both drug‐sensitive and most drug‐resistant cases of tuberculosis.
Atomic Nb Anchoring on Graphdiyne as a New Potential Electrocatalyst for Nitrogen Fixation: A Computational View
Authors: Han Xing‐Qi , Lang Zhong‐Ling , Yan Li‐Kai , Guan Wei , Ci Cheng‐Gang , Su Zhong‐Min 
Published: September 2019

AbstractThe exploration of effective active catalysts for the synthesis of ammonia NH3 is of vital importance to the development of the industrial dinitrogen‐fixation industry. Herein, a series of single transition metal atoms is screened anchoring on a monolayer graphdiyne (TM@GD, TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Nb, Mo, Ru, Rh, Pd, Ag, W, Ir, Pt, and Au) toward electrocatalytic N2 reduction reaction nitrogen reductive reaction (NRR) by density functional theory (DFT) calculations. Several TM@GD, including Ti@GD, V@GD, Nb@GD, Ru@GD, and W@GD, are computed to experience relatively lower free energy uphill for NRR than Ru(0001) surface. Specifically, the Nb@GD is demonstrated to be the most excellent for NRR with a limited potential of only 0.27 V, and also a high selectivity of 49.95% in spite of hydrogen evolution reaction (HER) competition simply estimated by Boltzmann distribution. Distal pathway is identified here without the formation of N2N4 species, ensuring a highly oriented product of NH3. Studies in this work would facilitate further experimental research in this field with a new idea and guidance to find out the active catalysts of high efficiency for NH3 synthesis at room temperature.
Strain Improving the Performance of a Flexible Monolayer MoS2 Photodetector
Authors: Li Feng , Shen Tao , Xu Lei , Hu Chaosheng , Qi Junjie 
Published: September 2019

AbstractThe mechanically stretchable 2D materials have attracted much interest for their potential applications in flexible electronics, as well as the possibility of strain‐tuning their electronic and photoelectric performance through piezoelectric and piezoresistive effects. Piezoelectric and piezoresistive effects are observed in a flexible monolayer MoS2 device and the effect of the strain on the photoelectric properties is investigated. The light–dark current ratio, photoresponse speed, and self‐powered current are significantly improved by piezoelectric effect when 0.8% strain is applied in the armchair direction of monolayer MoS2. In addition, the photocurrent and photoresponsivity are increased by 5.6 and 4.2, respectively, due to large piezoresistive effect when 1.4% strain is applied in a zigzag direction. Furthermore, the piezoelectric and piezoresistive effects in monolayer MoS2 are characterized by Kelvin probe force microscopy (KPFM). The regulation mechanism of piezoelectric and piezoresistive effect on the photoelectric performance of the MoS2 photodetector is discussed using the energy band. The results show that the photoelectric performance of 2D materials can not only be improved by the piezoelectric effect, but also by the piezoresistive effect, which is significant for the application of 2D materials in optoelectronics.
Realization of Photo‐Thermal Metathesis Under Microwave Irradiation Conditions: An Entry to Triquinane Frameworks
Authors: Kotha Sambasivarao , Cheekatla Subba Rao , Meshram Milind , Bandi Vijayalakshmi , Seema Vittal 
Published: September 2019

AbstractWe report a simple and convenient synthetic route to cis,syn,cis triquinane frameworks under microwave irradiation conditions starting with cage diones. This is feasible because of the substituents present in the precursors, which facilitate the metathesis under milder reaction conditions as compared to normal flash vacuum pyrolysis conditions (∼600 °C). Isomerization of the double bond was realized under microwave irradiation to deliver the other triquinanes, which are useful precursors for natural product synthesis.
A Simple and Efficient Device and Method for Measuring the Kinetics of Gas‐Producing Reactions
Authors: Slot Thierry K. , Shiju N. Raveendran , Rothenberg Gadi 
Published: September 2019

AbstractWe present a new device for quantifying gases or gas mixtures based on the simple principle of bubble counting. With this device, we can follow reaction kinetics down to volume step sizes of 8–12 μL. This enables the accurate determination of both time and size of these gas quanta, giving a very detailed kinetic analysis. We demonstrate this method and device using ammonia borane hydrolysis as a model reaction, obtaining Arrhenius plots with over 300 data points from a single experiment. Our device not only saves time and avoids frustration, but also offers more insight into reaction kinetics and mechanistic studies. Moreover, its simplicity and low cost open opportunities for many lab applications.
The 3 C's of anthropomorphism: Connection, comprehension, and competition
Authors: Yang Linyun W. , Aggarwal Pankaj , McGill Ann L. 
Published: September 2019

AbstractAnthropomorphism, or imbuing nonhuman entities with human traits, is widely prevalent in the marketplace. The last decade of consumer research demonstrates that when imbued with human characteristics, anthropomorphized brands and products become active participants in the consumption experience and are viewed and treated fundamentally differently than those viewed simply as objects. We identify three dimensions around how consumers relate to anthropomorphized entities: connection, comprehension, and competition. The first two C's highlight how anthropomorphized brands and products benefit consumers by fulfilling belongingness needs (connection) and helping consumers understand unfamiliar situations and products (comprehension). In contrast, the competition dimension highlights how anthropomorphized brands and products are perceived as adversaries or potential threats to consumers’ individual goals. By identifying competition as the third C, we illuminate self‐protection as an additional motivation that shapes consumers’ responses to anthropomorphized entities—a motivation that has not been directly accounted for in previous theorizing.
Use of targeted therapies for advanced renal cell carcinoma in the Veterans Health Administration
Authors: Aspinall Sherrie L. , Zhao Xinhua , Geraci Mark C. , Good Chester B. , Cunningham Francesca E. , Heron Bernadette B. , Becker Daniel , Lee Steve , Prasad Vinay ,   for the Targeted Therapies in Veterans with RCC Study Group
Published: September 2019

AbstractBackgroundThe objective of this study is to describe the use of targeted therapies for the treatment of advanced renal cell carcinoma (RCC) and overall survival (OS) among patients in clinical practice in the Veterans Health Administration (VHA).MethodsA retrospective cohort of 286 patients from 24 VHA Medical Centers diagnosed with advanced clear cell RCC between Fiscal Year (FY) 2010 and FY2014 was followed through September 30, 2016. Among patients who received targeted therapy, we described the medications taken, duration of therapy, and overall survival. We also assessed the effect of the first therapy received on overall survival using Cox Proportional Hazards models.ResultsThere were 66 patients who did not receive therapy for their advanced RCC. Of the 220 treated patients, the mean (sd) number of medications received was 1.9 (1.1). The medications most commonly used first were sunitinib (61.8%), pazopanib (17.3%), and temsirolimus (10.9%). The median duration of first‐line therapy was 86 days (interquartile range [IQR] 42, 210). Median total duration of therapy was 159 days (IQR 58, 397). 62.3% of patients had ≥ 1 dose of therapy held or reduced, mainly due to an adverse drug event (ADE). Median survival from the start of treatment to death was 1.08 years (IQR 0.80, 1.31). Finally, receipt of temsirolimus vs sunitinib (HR 1.95 [95%CI 1.09,3.47]) as the first targeted therapy was independently associated with an increased hazard of death.ConclusionOur analysis of targeted therapies for advanced RCC in VHA suggests duration of treatment is shorter in a real‐world setting than in clinical trials, and dose reductions and ADEs are more common.
Comparative Analyses on the Bioactive Compounds and in Vitro Antioxidant Capacity of Tea Infusions Prepared from Selected Medicinal Fruits
Authors: Zahirul Islam Mohammad , An Hyo‐Geun , Lee Young‐Tack 
Published: September 2019

AbstractThis study was conducted to analyze the bioactive compounds and in vitro antioxidant capacity of tea infusions prepared from whole and ground medicinal fruits, including gardenia, jujube, magnolia, quince, and wolfberries. The dried medicinal fruit samples were ground, and then passed through a 60‐mesh sieve (pore size, 250 μm). Hot water (80 °C) infusions of whole and ground fruits were examined. In average of both whole and ground tea infusions, the maximum bioactive compounds were found in gardenia (β‐carotene, lycopene, and vitamin C), magnolia (total chlorophyll and anthocyanin), quince (flavonoid), and wolfberries (phenolic), and the maximum antioxidant capacity was found in quince (ABTS and DPPH) and wolfberries (NSA). Whole fruit tea infusions showed a higher brightness than the ground fruit tea infusions. The total chlorophyll, anthocyanin, β‐carotene, lycopene, phenolic, flavonoid, and vitamin C contents were found to be significantly (p≤0.001) higher in the ground fruit tea infusions than in the whole fruit tea infusions; additionally, the ground fruit tea infusions had a higher antioxidant capacity especially ABTS, DPPH and NSA. Therefore, the ground fruit tea infusions appeared to be more powerful with regard to the contents of bioactive compounds and antioxidant capacities than the whole fruit tea infusions.
Development of acceptable high‐quality noodles using nonglutinous rice cultivar Akitakomachi flours
Authors: Nagai Takeshi , Takagi Anri , Kai Norihisa , Tanoue Yasuhiro , Suzuki Nobutaka 
Published: September 2019

AbstractBackground and objectivesTo elucidate the effects of four different particle sizes of flour from the nonglutinous rice cultivar Akitakomachi on noodle quality and the factors that affect the production of acceptable high‐quality noodles.FindingsThe damaged starch content was lowest in the flour with a particle size range of 53–212 μm, and the water absorption rate increased as the flour particle size ranges decreased. By textural and sensory analyses, noodles made from flour with a particle size range of 53–212 μm showed high breaking strength, cohesiveness, smoothness, gelatinization degree, and acid solubility and low adhesiveness. The expansion rate of noodle strands after cooking, especially noodle width and thickness, was fairly high, and the solubility of proteins and sugars was low in strands made with 0.5% grain vinegar compared to those made without grain vinegar. The total and surface SH group contents in different protein fractions were not different between noodles produced with and without grain vinegar.ConclusionsAcceptable high‐quality noodles were produced using flour with a particle size range of 53–212 μm and 0.5% grain vinegar. The high‐order structural changes in the rice protein molecules by grain vinegar treatment significantly contributed to noodle quality, particularly their satisfactory firm texture.Significance and noveltyThe use of flour with a particle size range of 53–212 μm and the addition of grain vinegar were important factors for the production of high‐quality noodles with flour from the nonglutinous rice cultivar Akitakomachi. These results provide useful information for rice flour noodle industries.
Redox‐Active Guanidines in Proton‐Coupled Electron‐Transfer Reactions: Real Alternatives to Benzoquinones?
Authors: Wild Ute , Hübner Olaf , Himmel Hans‐Jörg 
Published: September 2019

AbstractGuanidino‐functionalized aromatics (GFAs) are readily available, stable organic redox‐active compounds. In this work we apply one particular GFA compound, 1,2,4,5‐tetrakis(tetramethylguanidino)benzene, in its oxidized form in a variety of oxidation/oxidative coupling reactions to demonstrate the scope of its proton‐coupled electron transfer (PCET) reactivity. Addition of an excess of acid boosts its oxidation power, enabling the oxidative coupling of substrates with redox potentials of at least +0.77 V vs. Fc+/Fc. The green recyclability by catalytic re‐oxidation with dioxygen is also shown. Finally, a direct comparison indicates that GFAs are real alternatives to toxic halo‐ or cyano‐substituted benzoquinones.
Hydridoorganostannylene Coordination: Group 4 Metallocene Dichloride Reduction in Reaction with Organodihydridostannate Anions
Authors: Maudrich Jakob‐Jonathan , Widemann Max , Diab Fatima , Kern Ralf H. , Sirsch Peter , Sindlinger Christian P. , Schubert Hartmut , Wesemann Lars 
Published: September 2019

AbstractOrganodihydridoelement anions of germanium and tin were reacted with metallocene dichlorides of Group 4 metals Ti, Zr and Hf. The germate anion [Ar*GeH2]−reacts with hafnocene dichloride under formation of the substitution product [Cp2Hf(GeH2Ar*)2]. Reaction of the organodihydridostannate with metallocene dichlorides affords the reduction products [Cp2M(SnHAr*)2] (M=Ti, Zr, Hf). Abstraction of a hydride substituent from the titanium bis(hydridoorganostannylene) complex results in formation of cation [Cp2M(SnAr*)(SnHAr*)]+exhibiting a short Ti–Sn interaction. (Ar*=2,6‐Trip2C6H3, Trip=2,4,6‐triisopropylphenyl).
History and Future of Dative Bonds
Authors: Nandi Ashim , Kozuch Sebastian 
Published: September 2019

AbstractDative Bond (IUPAC): “The coordination bond formed upon interaction between molecular species, one of which serves as a donor and the other as an acceptor of the electron pair to be shared in the complex formed… The distinctive feature of dative bonds is that their minimum‐energy rupture in the gas phase or in inert solvent follows the heterolytic bond cleavage path.” This definition encompasses an immense number of molecules such as Lewis adducts, transition‐metal complexes, supposedly hypervalent or hypovalent systems, and many molecules with multifaceted Lewis structures. Still, there is a large reticence to include dative bonds in the regular depiction of molecules, and even a larger unawareness of the dative bond arrow in many chemical circles. Herein we will discuss in simple chemical terms the past, present and future of such bonds. In addition, we will try to provide cleaner options to represent intricate molecules without sacrificing physical accuracy.
Insight into the Formation and Transfer Process of the First Intermediate of CO2 Reduction over Ag‐Decorated Dendritic Cu
Authors: Yang Yang , Ajmal Saira , Feng Yiqing , Li Kejian , Zheng Xiuzhen , Zhang Liwu 
Published: September 2019

AbstractIt is still poorly understood how the first intermediates of CO2 reduction are formed and converted to multi‐carbon products over Cu‐based electrodes. Herein, Ag is used to decorate dendritic Cu and a high Faradaic efficiency (FE) for C2H4 (25 %) is obtained on a CuAg electrode, which is about five times higher than dendritic Cu. The intermediates including *CO2−, OH groups, Cu‐CO, C‐O rotation, and CHx species are investigated by in situ Raman spectroscopy. This work provides spectroscopic evidence that the first intermediate of CO2 reduction on Ag‐decorated Cu is carboxylate anion *CO2− bonded with the catalyst surface through the C and O atom. The formation and evolution process of the *CO2− intermediate over the applied potential are investigated in depth as well. This research contributes to a better understanding of the mechanism of CO2 reduction and multi‐carbon product formation pathways over Ag‐decorated Cu.