bluuebunny/crossref_metadata_2025_split huggingface dataset:
How to Identify Strategy Use and Adaptive Strategy Selection: The Crucial Role of Chance Correction in Weighted Compensatory Strategies
Authors: Jekel Marc , Glöckner Andreas 
Published: October 2016

AbstractModel comparisons based on choices are a common method to assess adaptive strategy selection models. We show that one common methodological choice prevailing in parts of this work makes it hard to draw sound conclusions concerning the central questions of how often people indeed use simplified strategies (e.g., fast‐and‐frugal heuristics) and whether they select between them adaptively. Conclusions from this work are biased insofar that more complex weighted compensatory strategies, such as Franklin's Rule, that are considered alternatives to fast‐and‐frugal heuristics are specified in a way that leads to a systematic underestimation of the degree to which they are relied on. Specifically, the common practice of not correcting cue validities for chance level results in a substantial disadvantage for weighted compensatory strategies. Model recovery simulations and a reanalysis of published data correspondingly show overestimation of the reliance on fast‐and‐frugal heuristics for various environments used in prominent studies. Furthermore, our results indicate that the magnitude of this overestimation is contingent on the structure of the environment so that strategy selection is mimicked without any material basis. As a result, even completely rational individuals would be erroneously classified as adaptive users of simple strategies. We recommend that chance corrected implementations of weighted compensatory strategies should be included in all future studies investigating the usage of adaptive strategies and argue that comprehensive re‐analyses of previous work are warranted. Copyright © 2016 John Wiley & Sons, Ltd.
A teaching approach from the exhaustive search method to the Needleman–Wunsch algorithm
Authors: Xu Zhongneng , Yang Yayun , Huang Beibei 
Published: October 2016

AbstractThe Needleman–Wunsch algorithm has become one of the core algorithms in bioinformatics; however, this programming requires more suitable explanations for students with different major backgrounds. In supposing sample sequences and using a simple store system, the connection between the exhaustive search method and the Needleman–Wunsch algorithm was analyzed to more thoroughly explain this algorithm. The present study could benefit the teaching and learning of the Needleman–Wunsch algorithm. © 2016 by The International Union of Biochemistry and Molecular Biology, 45(3):194–204, 2017.
PEEK tube‐based online solid‐phase microextraction–high‐performance liquid chromatography for the determination of yohimbine in rat plasma and its application in pharmacokinetics study
Authors: Xiang Xiaowei , Shang Bing , Wang Xiaozheng , Chen Qinhua 
Published: October 2016

AbstractYohimbine is a novel compound for the treatment of erectile dysfunction derived from natural products, and pharmacokinetic study is important for its further development as a new medicine. In this work, we developed a novel PEEK tube‐based solid‐phase microextraction (SPME)–HPLC method for analysis of yohimbine in plasma and further for pharmacokinetic study. Poly (AA‐EGDMA) was synthesized inside a PEEK tube as the sorbent for microextraction of yohimbine, and parameters that could influence extraction efficiency were systematically investigated. Under optimum conditions, the PEEK tube‐based SPME method exhibits excellent enrichment efficiency towards yohimbine. By using berberine as internal standard, an online SPME‐HPLC method was developed for analysis of yohimbine in human plasma sample. The method has wide linear range (2–1000 ng/mL) with an R2 of 0.9962; the limit of detection was determined and was as low as 0.1 ng/mL using UV detection. Finally, a pharmacokinetic study of yohimbine was carried out by the online SPME‐HPLC method and the results have been compared with those of reported methods.
Chemical identification and quality evaluation of Lycopus lucidus Turcz by UHPLC‐Q‐TOF‐MS and HPLC‐MS/MS and hierarchical clustering analysis
Authors: Ren Qiang , Ding Lin , Sun Shan‐shan , Wang Hui‐yun , Qu Liang 
Published: October 2016

AbstractLycopus lucidus Turcz has been used as a traditional phytomedicine for menstrual disorder, amenorrhea, menstrual cramps, inflammation and cardiovascular diseases. However, there is not enough information about identification and quantification for the chemical constituents of L. lucidus Turcz. In this work, a simple, rapid and sensitive UHPLC‐Q‐TOF‐MS method was developed for characterization and identification of the phytochemical compositions in L. lucidus Turcz in negative ion mode. A total of 37 compounds, including 15 phenolic acids, 12 flavonoids, three triterpenoids and seven organic acids were tentatively characterized and identified by means of the retention time, accurate mass and characteristic fragment ions. Thirteen compounds were reported for the first time in L. lucidus Turcz. Among of them, 11 compounds were further quantified by multiple reactions monitoring. The results showed good performance with respect to linearity (r > 0.9959), repeatability (RSD < 2.6%), intra‐ and inter‐day precision (RSD < 3.2%), recovery (93.1–104.9%), and lower limit of quantification (5–50 ng/mL). Subsequently, the results were analyzed and classified by hierarchical cluster analysis. The research could be applied for identification and quality evaluation for L. lucidus Turcz.
Accumulation of methylglyoxal and d‐lactate in Pb‐induced nephrotoxicity in rats
Authors: Huang Yu‐Shen , Li Yi‐Chieh , Tsai Pei‐Yun , Lin Chia‐En , Chen Chien‐Ming , Chen Shih‐Ming , Lee Jen‐Ai 
Published: October 2016

AbstractLead (Pb) is an environmental pollutant associated with several diseases, such as nephrotoxicity. Methylglyoxal (MG) is a reactive dicarbonyl compound formed during glycolysis and reported to increase in kidney damage. Metformin is used as an MG scavenger in the clinic. In this study, we investigated the mechanism of Pb‐induced renal injury and the effect of metformin on Pb‐induced nephrotoxicity. Eighteen Wistar rats were randomly divided into three groups: control, Pb, and Pb + metformin groups. Pb (250 ppm) was administered in drinking water, and 50 mg/kg of metformin was co‐administered orally. After 28 days, the levels of MG and its metabolite d‐lactate in urine, serum and renal tissues were examined. The elevation of renal MG (56.86 ± 17.47 vs 36.40 ± 5.69, p < 0.01) and urinary d‐lactate (0.68 ± 0.28 vs 0.32 ± 0.13, p < 0.01) was observed in Pb‐exposed rats compared with those in control rats. After co‐treatment with metformin, these phenomena were attenuated. In the present study, it was demonstrated for the first time that urinary d‐lactate might serve as the candidate marker for Pb‐induced nephrotoxicity in the clinic, and metformin might be a new therapeutic candidate for Pb poisoning.
Different mechanosensory stimulations of the lower back elicit specific changes in hemodynamics and oxygenation in cortical sensorimotor areas—AfNIRSstudy
Authors: Vrana Andrea , Meier Michael L. , Hotz‐Boendermaker Sabina , Humphreys Barry K. , Scholkmann Felix 
Published: October 2016

AbstractBackground and ObjectivesThis study aimed at investigating the feasibility of functional near‐infrared spectroscopy (fNIRS) to measure changes in cerebral hemodynamics and oxygenation evoked by painful and nonpainful mechanosensory stimulation on the lower back. The main objectives were to investigate whether cortical activity can be (1) detected using functionalfNIRS, and (2) if it is possible to distinguish between painful and nonpainful pressure as well as a tactile brushing stimulus based on relative changes in oxy‐ and deoxyhemoglobin ([O2Hb] and [HHb]).MethodsTwenty right‐handed subjects (33.5 ± 10.7 years; range 20–61 years; 8 women) participated in the study. Painful and nonpainful pressure stimulation was exerted with a thumb grip perpendicularly to thespinous processof the lumbar spine. Tactile stimulation was realized by a one‐finger brushing. The supplementary motor area (SMA) and primary somatosensory cortex (S1) were measured bilaterally using a multichannel continuous‐wavefNIRSimaging system.ResultsCharacteristic relative changes in [O2Hb] in theSMAand S1 after both pressure stimulations (corrected for multiple comparison) were observed. [HHb] showed only much weaker changes (uncorrected). The brushing stimulus did not reveal any significant changes in [O2Hb] or [HHb].ConclusionThe results indicate thatfNIRSis sensitive enough to detect varying hemodynamic responses to different types of mechanosensory stimulation. The acquired data will serve as a foundation for further investigations in patients with chronic lower back pain. The future aim is to disentangle possible maladaptive neuroplastic changes in sensorimotor areas during painful and nonpainful lower back stimulations based onfNIRSneuroimaging.
Assessment of feigned cognitive impairment in severe traumatic brain injury patients with the Forced‐choice Graphics Memory Test
Authors: Liu Zilong , Dong Juan , Zhao Xiaohong , Chen Xiaorui , Lippa Sara M. , Caroselli Jerome S. , Fang Xiang 
Published: October 2016

AbstractIntroductionThe Forced‐choice Graphics Memory Test (FGMT) is a newly developed measure to assess feigned cognitive impairment. This study investigated the ability and reliability of FGMT for identification of malingering in patients with traumatic brain injury (TBI).MethodsThe FGMT was administered to 40 healthy volunteers instructed to respond validly (Healthy Control, H‐C), 40 healthy volunteers instructed to feign cognitive impairment (Healthy Malingering, H‐M), 40 severe TBI patients who responded validly (TBI control, TBI‐C), and 30 severe TBI patients who evidenced invalid performance (TBI malingering, TBI‐M).ResultsBoth malingering groups (H‐M and TBI‐M) performed much more poorly than the nonmalingering groups (H‐C and TBI‐C). The FGMT overall total score, score on easy items, and score on hard items differed significantly across the four groups. The total score showed the highest classification accuracy in differentiating malingering from nonmalingering. A cutoff of less than 18 (total items) successfully identified 95% of TBI‐C and 93.3% of TBI‐M participants. The FGMT also demonstrated high test–retest reliability and internal consistency. FGMT scores were not affected by TBI patients' education, gender, age, or intelligence.ConclusionOur results suggest that the FGMT can be used as a fast and reliable tool for identification of feigned cognitive impairment in patients with TBI.
Hyperbaric oxygen therapy sensitizes nimustine treatment for glioma in mice
Authors: Lu Zhaohui , Ma Jiawei , Liu Bing , Dai Chungang , Xie Tao , Ma Xiaoyu , Li Ming , Dong Jun , Lan Qing , Huang Qiang 
Published: October 2016

AbstractNimustine (ACNU) has antitumor activities in patients with malignant glioma. Hyperbaric oxygen (HBO) may enhance the efficacy of certain therapies that are hampered by the hypoxic microenvironment. We examined the combined effects of ACNU and HBO in a GFP transgenic nude mice bearing human glioma model. Mice inoculated with human glioma cells SU3 were randomly divided into the four groups: (A) the control group, (B) the HBOT (HBO therapy) group, (C) the ACNU group, and (D) the HBOT+ACNU group. Tumor size was measured at the indicated time intervals with a caliper; mice were sacrificed 28 days after treatment, and immunohistochemistry staining and western blot analysis were carried out. By the end of the trial, the tumor weights of groups A, B, C, and D were (P < 0.05), 6.03 ± 1.47, 4.13 ± 1.82 (P < 0.05), 2.39 ± 0.25 (P < 0.05), and 1.43 ± 0.38 (P < 0.01), respectively. The expressions of TNF‐α, MMP9, HIF‐α, VEGF, NF‐κB, and IL‐1β were associated with the infiltration of inflammatory cells and the inhibition rate of tumor cells. Hyperbaric oxygen therapy (HBOT) could inhibit glioma cell proliferation and inflammatory cell infiltration, and exert a sensitizing effect on ACNU therapy partially through enhancing oxygen pressure (PO2) in tumor tissues and lower expression levels of HIF‐1α, TNF‐α, IL‐1β, VEGF, MMP9, and NF‐κB.
Pharmacologic activity and pharmacokinetics of metabolites of regorafenib in preclinical models
Authors: Zopf Dieter , Fichtner Iduna , Bhargava Ajay , Steinke Wolfram , Thierauch Karl‐Heinz , Diefenbach Konstanze , Wilhelm Scott , Hafner Frank‐Thorsten , Gerisch Michael 
Published: October 2016

AbstractRegorafenib is an orally administered inhibitor of protein kinases involved in tumor angiogenesis, oncogenesis, and maintenance of the tumor microenvironment. Phase III studies showed that regorafenib has efficacy in patients with advanced gastrointestinal stromal tumors or treatment‐refractory metastatic colorectal cancer. In clinical studies, steady‐state exposure to the M‐2 and M‐5 metabolites of regorafenib was similar to that of the parent drug; however, the contribution of these metabolites to the overall observed clinical activity of regorafenib cannot be investigated in clinical trials. Therefore, we assessed the pharmacokinetics and pharmacodynamics of regorafenib, M‐2, and M‐5 in vitro and in murine xenograft models. M‐2 and M‐5 showed similar kinase inhibition profiles and comparable potency to regorafenib in a competitive binding assay. Inhibition of key target kinases by all three compounds was confirmed in cell‐based assays. In murine xenograft models, oral regorafenib, M‐2, and M‐5 significantly inhibited tumor growth versus controls. Total peak plasma drug concentrations and exposure to M‐2 and M‐5 in mice after repeated oral dosing with regorafenib 10 mg/kg/day were comparable to those in humans. In vitro studies showed high binding of regorafenib, M‐2, and M‐5 to plasma proteins, with unbound fractions of ~0.6%, ~0.9%, and ~0.4%, respectively, in murine plasma and ~0.5%, ~0.2%, and ~0.05%, respectively, in human plasma. Estimated free plasma concentrations of regorafenib and M‐2, but not M‐5, exceeded the IC50 at human and murine VEGFR2, suggesting that regorafenib and M‐2 are the primary contributors to the pharmacologic activity of regorafenib in vivo.
Substitution of Two Active‐Site Residues Alters C9‐Hydroxylation in a Class II Diterpene Synthase
Authors: Mafu Sibongile , Fischer Emil , Addison J. Bennett , Riberio Barbosana Isabel , Zerbe Philipp 
Published: October 2016

AbstractDiterpenes form a vast and diverse class of natural products of both ecological and economic importance. Class II diterpene synthase (diTPS) enzymes control the committed biosynthetic reactions underlying diterpene chemical diversity. Homology modelling with site‐directed mutagenesis identified two active‐site residues in the horehound (Marrubium vulgare) class II diTPS peregrinol diphosphate synthase (MvCPS1); residue substitutions abolished the unique MvCPS1‐catalysed water‐capture reaction at C9 and redirected enzyme activity toward formation of an alternative product, halima‐5(10),13‐dienyl diphosphate. These findings contributed new insight into the steric interactions that govern diTPS‐catalysed regiospecific oxygenation reactions and highlight the feasibility of diTPS engineering to provide a broader spectrum of bioactive diterpene natural products.
Incidentally discovered low‐grade appendiceal mucinous neoplasm: a precursor to pseudomyxoma peritonei
Authors: Padmanaban Vennila , Morano William F. , Gleeson Elizabeth , Aggarwal Anshu , Mapow Beth L. , Stein David E. , Bowne Wilbur B. 
Published: October 2016

Key Clinical MessageAppendiceal mucoceles (AMs) infrequently arise from an underlying malignancy. Treatment has progressed toward a less aggressive approach over time; they can be managed by appendectomy‐only unless pathology reveals malignancy. The ultimate goal of management is to prevent AM rupture, avoiding the syndrome of pseudomyxoma peritonei.
Visible‐Light‐Controlled Oxidation of Glucose using Titania‐Supported Silver Photocatalysts
Authors: Da Vià Luigi , Recchi Carlo , Davies Thomas E. , Greeves Nicholas , Lopez‐Sanchez Jose A. 
Published: October 2016

AbstractThe visible‐light‐mediated photo‐catalytic selective valorisation of glucose using TiO2‐supported Ag nanoparticles is shown for the first time. The optimisation of the catalyst composition, substrate‐to‐catalyst ratio and reaction medium proved that a near total suppression of the mineralisation pathway could be achieved with a selectivity to partial oxidation products and small‐chain monosaccharides as high as 98 %. The primary products were determined to be gluconic acid, arabinose, erythrose, glyceraldehyde and formic acid. Under UVA light, the selectivity to organics decreases because of the production of CO2 from mineralisation. A reaction mechanism is proposed based on an α‐scission process combined with the Ruff degradation reaction, which explains the presence of the oxidation products, the smaller carbohydrates and formic acid. X‐ray photoelectron spectroscopy, UV/Vis spectroscopy and microscopy studies showed the presence of plasmonic 4 nm particles of silver that were oxidised to silver oxide over the course of the reaction, and recycling studies revealed that this was not detrimental to activity.
Mechanisms for the Reverse Skeletal Isomerization of n‐Butenes to Isobutene over Zeolite Catalysts
Authors: Jo Donghui , Hong Suk Bong 
Published: October 2016

AbstractThe use of 13C‐enriched isobutene in the reverse skeletal isomerization of 1‐butene over zeolite catalysts allowed us to corroborate that the mechanisms for the reverse reaction were essentially the same as those for the forward reaction, regardless of the structure type of the catalyst employed.
Complementary Hydrogen Bonding Modulates Electronic Properties and Controls Self‐Assembly of Donor/Acceptor Semiconductors
Authors: Black H. T. , Yee N. , Zems Y. , Perepichka D. F. 
Published: October 2016

AbstractA comprehensive investigation of the complementary H‐bonding‐mediated self‐assembly between dipyrrolo[2,3‐b:3′,2′‐e]pyridine (P2P) electron donors and naphthalenediimide/perylenediimide (NDI/PDI) acceptors is reported. The synthesis of parent P2P and several aryl‐substituted derivatives is described, along with their optical, redox, and single‐crystal packing characteristics. The dual functionality of heteroatoms in the P2P/NDI(PDI) assembly, which act as proton donors/acceptors and also contribute to π‐conjugation, leads to H‐bonding‐induced perturbation of electronic levels. Concentration‐dependent NMR and UV/Vis spectroscopic studies revealed a cooperative effect of H‐bonding and π–π stacking interactions. This H‐bonding‐mediated co‐assembly of donor (D) and acceptor (A) components leads to a new charge‐transfer (CT) absorption that can be controlled throughout the visible range. The electronic interactions between D and A were further investigated by time‐dependent DFT, which provided insights into the nature of the CT transition. Electropolymerization of difuryl‐P2P afforded the first conjugated polymer incorporating H‐bonding recognition units in its main chain.
One‐Step Synthesis of Siloxanes from the Direct Process Disilane Residue
Authors: Neumeyer Felix , Auner Norbert 
Published: October 2016

AbstractThe well‐established Müller–Rochow Direct Process for the chloromethylsilane synthesis produces a disilane residue (DPR) consisting of compounds MenSi2Cl6−n (n=1–6) in thousands of tons annually. Technologically, much effort is made to retransfer the disilanes into monosilanes suitable for introduction into the siloxane production chain for increase in economic value. Here, we report on a single step reaction to directly form cyclic, linear, and cage‐like siloxanes upon treatment of the DPR with a 5 m HCl in Et2O solution at about 120 °C for 60 h. For simplification of the Si−Si bond cleavage and aiming on product selectivity the grade of methylation at the silicon backbone is increased to n≥4. Moreover, the HCl/Et2O reagent is also suitable to produce siloxanes from the corresponding monosilanes under comparable conditions.
Highly Selective Halide Receptors Based on Chalcogen, Pnicogen, and Tetrel Bonds
Authors: Scheiner Steve 
Published: October 2016

AbstractThe interactions of halides with a number of bipodal receptors were examined by quantum chemical methods. The receptors were based on a dithieno thiophene framework in which two S atoms can engage in a pair of chalcogen bonds with a halide. These two S atoms were replaced by P and As atoms to compare chalcogen with pnicogen bonding, and by Ge which engages in tetrel bonds with the receptor. Zero, one, and two O atoms were added to the thiophene S atom which is not directly involved in the interaction with the halides. Fluoride bound the most strongly, followed by Cl−, Br−, and I−, respectively. Replacing S by the pnicogen bonds of P strengthened the binding, as did moving down to As in the third row of the periodic table. A further large increment is associated with the switch to the tetrel bonds of Ge. Even though the thiophene S atom is remote from the binding site, each additional O atom added to it raises the binding energy, which can be quite large, as much as 63 kcal mol−1for the Ge⋅⋅⋅F−interaction. The receptors have a pronounced selectivity for F−over the other halides, as high as 27 orders of magnitude. The data suggest that incorporation of tetrel atoms may lead to new and more powerful halide receptors.
Urchinlike ZnS Microspheres Decorated with Nitrogen‐Doped Carbon: A Superior Anode Material for Lithium and Sodium Storage
Authors: Li Junming , Fu Yun , Shi Xiaodong , Xu Zhenming , Zhang Zhian 
Published: October 2016

AbstractUrchinlike ZnS microspheres decorated with nitrogen‐doped carbon (ZnS@NC) were fabricated by a facile two‐step method in which urchinlike ZnS microspheres were coated with polydopamine and then calcined in an inert gas atmosphere. When employed as the anode material for lithium‐ion batteries and sodium ion batteries, ZnS@NC exhibits a reversible lithium‐storage capacity of 690 mAh g−1 after 100 cycles at 100 mA g−1 and a reversible sodium‐storage capacity of 460 mAh g−1 after 80 cycles at 200 mA g−1.The ZnS@NC electrode shows a high reversible lithium‐storage capacity of 520 mAh g−1 after 200 cycles and a high reversible sodium‐storage capacity of 380 mAh g−1 after 100 cycles even at a current density of 1 A g−1. The superior electrochemical performance could be ascribed to structural merits of the urchinlike ZnS microspheres and synergistic effects between ZnS and polydopamine‐derived nitrogen‐doped carbon. The lithium‐ and sodium‐storage capacities of urchinlike ZnS@NC microspheres are in the top rank in comparison with those reported in other studies.