bluuebunny/crossref_metadata_2025_split huggingface dataset:
Perioperative ultrasound‐assisted clinical evaluation – A case based review
Authors: Royse Colin , Canty David , Sessler Daniel 
Published: October 2018

AbstractUltrasound is increasingly being adopted into anaesthesia and intensive care practice. The range of ultrasound examination has also increased from transoesophageal echocardiography in cardiac surgery and ultrasound‐guided nerve blocks and vascular access, to examination of the heart, lungs, abdomen and deep veins. Typically, the use of ultrasound is focused or basic, designed to be performed by the anaesthetist at the patient's bedside in real time to answer clinical questions and to direct therapy. Ultrasound is not performed in isolation, but used to complement clinical evaluation, and accordingly can be considered as ‘ultrasound‐assisted perioperative evaluation’. Whilst there is good evidence that ultrasound improves diagnostic accuracy and in turn alters management, there are few data examining whether ultrasound leads to improved clinical outcomes. This review will examine multiple uses of perioperative ultrasound with case studies to illustrate potential utility.
Iron‐Catalyzed Carbenoid‐Transfer Reactions of Vinyl Sulfoxonium Ylides: An Experimental and Computational Study
Authors: Vaitla Janakiram , Bayer Annette , Hopmann Kathrin H. 
Published: October 2018

AbstractA method for the generation of unprecedented vinyl carbenoids from sulfoxonium ylides has been developed and applied in the synthesis of a diverse array of heterocycles such as indolizines, pyrroles, 3‐pyrrolin‐2‐ones, and furans. The reactions proceed by FeBr2 catalysis under mild reaction conditions with a broad substrate scope. A reaction pathway involving iron carbenoids is proposed based on a series of control experiments and DFT calculations.
Synthesis of androgen receptor antagonists containing a pentafluorosulfanyl (SF5) moiety
Authors: Jin Jiyu , Zhou Yan , Yang Dehua , Zhang Qiumeng , Wang Ming‐Wei , Lu Wei 
Published: October 2018

AbstractA novel scaffold of pentafluorosulfanyl (SF5)‐containing enzalutamide analogues was discovered for potent androgen receptor (AR) antagonists through rational drug design. Several compounds showed good biological profiles in AR binding. Of the derivatives studied, compound 8a had potent AR antagonist activity (IC50 = 7.1 ± 1.0 µM) and high efficacy (104.5 ± 12.8%). It exhibited an inhibitory effect comparable to that of enzalutamide (inhibition = 66.0 and 77.9%, respectively) in a prostate cancer cell line. The results point to the potential of using this scaffold to develop new AR antagonists.
Vasohibin 2 promotes malignant behaviors of pancreatic cancer cells by inducing epithelial‐mesenchymal transition via Hedgehog signaling pathway
Authors: Zhang Ye , Xue Xiaofeng , Zhao Xiaoqian , Qin Lei , Shen Yu , Dou Huiqiang , Sun Jialin , Wang Tong , Yang Da‐Qing 
Published: October 2018

AbstractBackgroundBased on previous findings, we hypothesized that Vasohibin 2 (VASH2) protein may induce epithelial‐mesenchymal transition (EMT) of pancreatic cancer (PC) cells by promoting the malignant behaviors of these cells. The present study aimed to test this hypothesis and explore the possible mechanisms involved.MethodsThe expression of VASH2 in PC tissues and cell lines was detected by quantitative real‐time PCR and Western blot. PC cells with overexpression or knockdown of VASH2 were used to examine the involvement of VASH2 in EMT by detecting the expression of epithelial (E‐cadherin) and mesenchymal (vimentin) markers and EMT‐related transcription factor ZEB1/2, in gemcitabine resistance and tumor cell invasion by apoptosis and invasion assays, and in cancer stem cell‐like phenotypes by detecting the proportion of CD24+CD44+ and side population (SP) cells in PC cells with flow cytometry. The impact of VASH2 overexpression and knockdown on components of the Hedgehog signaling pathway was also assessed.ResultsWe found that VASH2 was highly expressed in PC tissues and cells. It promoted the EMT of PC cells by altering ZEB1/2 expression. VASH2 also stimulated invasion and chemotherapeutic resistance of PC cells and increased the proportion of cancer stem‐like cells in PC cells. VASH2 did so by upregulating the expression of multiple molecules in the Hedgehog signaling pathway of PC cells.ConclusionVASH2 promotes malignant behaviors of PC cells by inducing EMT via activation of the Hedgehog signaling pathway.
Relationship between fatty acid composition and starch properties of 30 japonica rice cultivars
Authors: Nakamura Sumiko , Katsura Junji , Maruyama Yasuhiro , Ohtsubo Ken'ichi 
Published: October 2018

AbstractBackground and objectivesAlthough lipids are less abundant than carbohydrates and proteins in rice, they are important because they contribute to its nutritional, sensory, and functional qualities. In a previous study, we developed novel estimation formulae for starch properties on the basis of the iodine absorption curve or the pasting properties. The objectives of the present research are to characterize the fatty acid compositions of the various rice cultivars and to develop the estimation formulae for fatty acid contents based on the pasting properties.FindingsWe found that high degree of polymerization of amylopectin cultivars showed a high Pt, and a higher degree of unsaturated fatty acid (USF) (20:0, 20:1, 22:0 and 24:0) and low CD of amylopectin samples showed a high linoleic and linolenic acid content, while that of Pt and Cons showed a low value.ConclusionsWe developed novel estimation formulae for oleic and linoleic acid content based on pasting properties, and these equations showed determination coefficients (R2) of 0.75, and 0.68 for calibration and 0.65, and 0.76 for the validation test, respectively.Significance and noveltyThese formulae would be useful to select the promising rice cultivars in terms of biofunctionality, such as prevention of lifestyle diseases.
From Zn(C6F5)2 to ZnEt2‐based Lewis Pairs: Significantly Improved Catalytic Activity and Monomer Adaptability for the Ring‐opening Polymerization of Lactones
Authors: Wang Bin , Wei Yuan , Li Zong‐Jun , Pan Li , Li Yue‐Sheng 
Published: October 2018

AbstractIn this contribution, the structure‐reactivity relationships of ZnR2/DMAP (R=C6F5, C6H5 and C2H5) Lewis pairs in ring‐opening polymerization (ROP) of lactones were investigated by crystallographic analysis, density functional theory (DFT) calculations and kinetic studies. With decrease of ZnR2 Lewis acidity, the interaction between ZnR2 and DMAP weakens and the dissociation of ZnR2⋅2DMAP Lewis adducts become easier, which facilitates the activation of cyclic ester monomers. Thus, the ZnEt2/DMAP Lewis pair, bearing weakest interaction between Lewis acid and Lewis base, exhibits high catalytic activity and broad monomer adaptability. ZnEt2⋅2DMAP can convert lactide (LA) rapidly into polylactide (PLA) even at room temperature. Furthermore, a wide range of cyclic esters can also be polymerized using this dual catalyst, from small lactones such as β‐butyrolactone (β‐BL), δ‐valerolactone (δ‐VL) and ϵ‐caprolactone (ϵ‐CL) to the strainless macrolactone. The optimal reaction pathway, key species and active species in the ZnEt2⋅2DMAP catalytic ROP of LA were figured out by DFT calculations. The results clearly indicated that a DMAP‐LA exchange was necessary for activation of monomer, and the single molecular initiation is preferred. Meanwhile, the cyclic active species is more stable than the linear analogues, in which DMAP and ZnEt2 bond with each polymer chain end respectively and ZnEt2 interact with DMAP. The DFT calculation gives an account for the formation of the cyclic polyester in the ROP of LA by ZnR2‐based Lewis pairs.
Design of Experiments: A comparison study from the non‐expert user's perspective
Authors: Santos Catarina P. , Rato Tiago J. , Reis Marco S. 
Published: October 2018

AbstractIn a digital era where terabytes of structured and unstructured records are created and stored every minute, the importance of collecting small amounts of high quality data is often undervalued. However, this activity plays a critical role in industrial and laboratory settings, when addressing problems from process modeling and analysis, to optimization and robust design. Implementing a screening design is usually the way to begin a systematic statistical Design of Experiments program. Its aim is to find the influential factors and establish a first description of the process under analysis. Recently, new developments have emerged in this field, especially with the appearance of a new class of designs that join screening efficiency with the possibility to estimate quadratic effects (definitive screening designs). Therefore, several alternatives are currently available for conducting screening studies, but information is still scarce on the pros and cons of each methodology. This study was thus designed to gather useful information from the user's perspective by independently considering each design with rather standard settings. For each design, its ability to recover the correct model structure was evaluated, through Monte Carlo simulations on several simulated process structures containing elements likely to be found in practice (they obey the general principles of effect sparsity, hierarchy, and heredity). As some screening designs can estimate quadratic terms, these effects were also considered in the simulated models, and three‐level designs were brought to the analysis for comparison purposes, even though they are not screening designs.
Cover Picture: Visible Light‐Promoted Three‐Component Carboazidation of Unactivated Alkenes with TMSN3 and Acrylonitrile (Chin. J. Chem. 11/2018)
Authors: Yang Bo , Ren Xiang , Shen Xuzhong , Li Tongtong , Lu Zhan 
Published: October 2018

The cover picture shows a visible light promoted three‐component carboazidation of unactivated alkenes with TMSN3 and acrylonitrile. The photoredox reactions proceed through the azide radical generation, radical addition to alkenes in tandem with radical Michael addition to acrylonitrile. This protocol is operationally simple for straightforward access to azido derivatives with good functional group tolerance without any stoichiometric oxidants. More details are discussed in the article by Lu et al. on page 1017–1023.
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Back Cover: Diverse Fates of β‐Silyl Radical under Manganese Catalysis: Hydrosilylation and Dehydrogenative Silylation of Alkenes (Chin. J. Chem. 11/2018)
Authors: Yang Xiaoxu , Wang Congyang 
Published: October 2018

The back cover picture shows the Janus face of manganese catalysis, namely, hydrogen atom transfer (HAT) and organometallic β‐H elimination pathways can be selectively manipulated by manganese from the common intermediate, β‐silyl radical, thus approaching to the hydrosilylation and dehydrogenative silylation of olefins under the catalysis of Mn(CO)5Br and Mn2(CO)10, respectively. More details on the interplay between radical and organometallic species are discussed in the article by Wang et al. on page 1047–1051.
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Association between ideal cardiovascular health and markers of subclinical cardiovascular disease
Authors: Shpilsky Daniel , Bambs Claudia , Kip Kevin , Patel Sanjay , Aiyer Aryan , Olafiranye Oladipupo , Reis Steven E. , Erqou Sebhat 
Published: October 2018

BackgroundIdeal cardiovascular health (CVH) was proposed by the American Heart Association to promote population health. We aimed to characterize the association between ideal CVH and markers of subclinical cardiovascular disease (CVD).HypothesisWe hypothesized that ideal CVH is associated with several markers of subclinical CVD.MethodsWe used data from the Heart Strategies Concentrating on Risk Evaluation (Heart SCORE) study. We assigned 1 for each of the ideal CVH factors met. Endothelial function, expressed as Framingham reactive hyperemia index (fRHI), was measured using the EndoPAT device. Coronary artery calcium (CAC) and carotid intima‐media thickness (CIMT) were quantified using electron beam computed tomography and carotid ultrasonography, respectively.ResultsA total of 1933 participants (mean [SD] age: 59 [7.5] years, 34% male, 44% black) were included. The mean number of ideal CVH factors met was 2.3 ± 1.3, with blacks having significantly lower score compared to whites (2.0 ± 1.2 vs 2.5 ± 1.4, respectively; P < 0.001). Seven hundred and eighty‐nine participants (41%) achieved ≥3 ideal CVH factors. Participants with ≥3 ideal CVH factors (compared to those with <3 factors) had an average of 107 (95% confidence interval [CI]: 50‐165) Agatston units lower CAC, 0.04 (0.01‐0.06) mm lower CIMT, and 0.07 (0.02‐0.12) units higher fRHI, after adjusting for age, sex, race, income, education, and marital status. Participants with ≥3 ideal CVH factors had 50% lower odds (95% CI: 28%‐66%) of having CAC >100 Agatston units.ConclusionIn a community‐based study with low prevalence of ideal CVH, even achieving three or more ideal CVH factors were associated with lower burden of subclinical CVD, indicating the utility of this construct for disease prevention.
Mapping the Pathway and Dynamics of Bestatin Inhibition of the Plasmodium falciparum M1 Aminopeptidase PfA‐M1
Authors: Yang Wei , Riley Blake T. , Lei Xiangyun , Porebski Benjamin T. , Kass Itamar , Buckle Ashley M. , McGowan Sheena 
Published: October 2018

AbstractThe M1 metallo‐aminopeptidase from Plasmodium falciparum, PfA‐M1, is an attractive drug target for the design of new antimalarials. Bestatin, a broad‐spectrum metalloprotease inhibitor, is a moderate inhibitor of PfA‐M1, and has been used to provide structure–activity relationships to inform drug design. The crystal structure of PfA‐M1 with bestatin bound within its active site has been determined; however, dynamics of the inhibitor and the association or dissociation pathway have yet to be characterized. Here we present an all‐atom molecular dynamics study where we have generated a hidden Markov state model from 2.3 μs of molecular dynamics simulation. Our hidden Markov state model identifies five macrostates that clearly show the events involved in bestatin dissociation from the PfA‐M1 active site. The results show for the first time that bestatin can escape the substrate specificity pockets of the enzyme, primarily due to weak interactions within the pockets. Our approach identifies relevant conformational sampling of the inhibitor inside the enzyme and the protein dynamics that could be exploited to produce potent and selective inhibitors that can differentiate between similar members of the M1 aminopeptidase superfamily.
Research on manufacturing productivity based on improved genetic algorithms under internet information technology
Authors: Luo Tingting , Li Guangyao , Yu Naijiang 
Published: October 2018

SummaryThe manufacturing characteristics of the manufacturing industry make the processing process more complex and difficult to control. How to have more effective production management and scheduling is the key link for enterprises to ensure balanced production. The problem of production scheduling and improvement of production efficiency is one of the core contents of manufacturing production management. It plays an important role in optimizing resource utilization, saving production costs and improving work efficiency. First, combined with the production characteristics of the manufacturing industry, the preliminary search ability for the basic genetic algorithm (GA) is high. The characteristics of poor search ability and strong ability of global optimization are in the late period, and the Particle Swarm Optimization (PSO) has the characteristics of poor early search ability, strong late search ability, and easy to fall into local optimum. In order to obtain better scheduling results, we make the two algorithms complementary to each other, and propose an improved genetic algorithm to solve the manufacturing efficiency problem. It is verified that the algorithm has better search performance. Second, aiming at the dynamic characteristics of manufacturing in manufacturing and processing, using the multi‐module technology of Internet information technology, the Internet information technology production planning model was constructed, and the functions, structural models, and interactive of each module were studied. Finally, the shortest path is solved by optimizing the genetic algorithm. Experiments show that, based on the improved genetic algorithm with rapid convergence, it can effectively improve the manufacturing efficiency.
High dynamic range pseudo–two‐level digital pulse‐width modulation for power‐efficient RF transmitters
Authors: Arian Amir , Jannesari Abumoslem 
Published: October 2018

SummaryRadio frequency (RF) power amplification based on pulse‐width modulation (PWM) has been widely discussed as a potential solution to achieve higher efficiency in RF transmitters. A digitally implemented PWM introduces a large amount of in‐band distortion due to spectral aliasing. In this paper, a novel memoryless PWM modulator with a built‐in anti‐aliasing filter is proposed that effectively reduces the in‐band distortion in digital implementation. The spectral characteristics of the proposed PWM modulator as well as the statistical properties of its output PWM signal are analytically studied. The pseudo–two‐level output of the proposed modulator provides the capability to compromise between the efficiency, linearity, and complexity of transmitter, based on the given design targets. The proposed PWM method benefits from a simple circuit implementation in both digital and RF sections of the transmitter. Moreover, it preserves the low distortion property at low oversampling ratios of digital baseband. Simulations, as well as measurements, verify the performance of the proposed method.
A Facile Preparation of S8/C Composite Cathode for Lithium‐Sulfur Cells: Influence of Intrinsic and Extrinsic Cathode Properties on the Electrochemical Performance
Authors: Gröbmeyer Albert , Becking Jens , Bieker Peter Maria , Winter Martin , Stan Marian Cristian 
Published: October 2018

Lithium–sulfur batteries are still characterized by the low intrinsic electronic conductivity of sulfur in both its charged state (S8) as well as discharged state (Li2S). Here, using ball milling, a well‐dispersed active material within the carbon network is achieved using carbon black Super C65 and synthetic graphite KS6 as conductive agents. Calendering these electrodes increases the electronic percolation path resulting in enhanced electrochemical performances and reaction kinetics. Using high‐speed and high‐impact preparation methods improves the quality and performances of the S8/C composite electrodes when compared with electrodes prepared using a simple mixing method (magnetic stirring). The scanning electron microscopy images indicate that KS6 is able to incase S8 particles, resulting in a homogeneous distribution of the active material that in turn enhances the accessibility of the active material by the electrolyte and electrons. Compared with the S8/Super C65 composite electrode, a discharge capacity of 703 mAh g−1 is delivered by the S8/KS6 composite electrode during the first cycle. After 30 cycles, the S8/KS6 composite electrode delivers 477 mAh g−1 compared to only 411 mAh g−1 for the S8/Super C65 composite electrode due to a continuous capacity fading.
Negative urgency and the dual pathway model of bulimic symptoms: A longitudinal analysis
Authors: Puccio Francis , Fuller‐Tyszkiewicz Matthew , Buck Kimberly , Krug Isabel 
Published: October 2018

AbstractObjectiveThis study extends the dual pathway model (DPM) of bulimic symptoms by considering the bidirectional effects amongst symptoms of depression, dietary restraint, and bulimia. We also assessed the influence of negative urgency, a personality construct associated with bulimic symptoms, on the DPM.MethodParticipants were 244 females (Mage = 23.77 years) from the general community. Variables pertinent to the DPM as well as negative urgency were assessed at baseline, and symptoms of depression, dietary restraint, and bulimia were reassessed at 1‐month follow‐up.ResultsExcellent model fit was obtained once modifications were made to the DPM and the extended model that included negative urgency. Cross‐sectional paths replicated the DPM as hypothesized, with the exception that time 1 (T1) body mass index failed to predict T1 body dissatisfaction. Although no bidirectional effects were observed, T1 depression predicted dietary restraint at time 2 (T2). Negative urgency was shown to provide incremental predictive utility of T1 pressure to be thin, T1 body dissatisfaction, and T1 and T2 depression.ConclusionFindings lend support to the DPM and suggest that depression might be a risk factor for later dietary restraint. The results are also consistent with the notion that negative urgency may be an independent risk factor for symptoms of bulimia. However, short‐term longitudinal effects of these putative risk factors require further evaluation.
Nitroalkenes in the Ni(II) Catalyzed AsymmetricMichaelAddition. Convenient Route to the Key Intermediate of Brivaracetam
Authors: Reznikov Alexander N. , Kapranov Leonid E. , Ivankina Valentina V. , Sibiryakova Anastasiya E. , Rybakov Victor B. , Klimochkin Yuri N. 
Published: October 2018

AbstractA series of Ni(II) complexes with novel chiral ligands derived from (1R,2R)‐1,2‐diphenylethane‐1,2‐diamine was synthesized. The catalytic activity of these complexes in the asymmetricMichaelreaction is demonstrated. Asymmetric addition of diethyl malonate toω‐nitrostyrene and 1‐nitropent‐1‐ene in the presence of these complexes leads to the enantiomerically enriched diethyl (S)‐2‐(2‐nitro‐1‐phenylethyl)malonate (up to 96 %ee) and (R)‐diethyl 2‐(1‐nitropenthan‐2‐yl)malonate (up to 91 %ee). (4R)‐4‐Propylpyrrolidin‐2‐one, the key intermediate of antiepileptic drug brivaracetam, was obtained from the corresponding nitroester.
Writing Toward Change Across Youth Participatory Action Research Projects
Authors: Marciano Joanne E. , Warren Chezare A. 
Published: October 2018

AbstractThe authors examine how youth participants in the Central City Youth Participatory Action Research (YPAR) project (a pseudonym) enacted literacy practices toward social justice. Specifically, the authors examine how youths rendered writing in the context of the Central CityYPARproject to design and enact research about issues of educational opportunity and to share findings of their research with community stakeholders. Taken together, youths’ enactments of writing provide insights into how and why secondary educators may consider incorporatingYPARprojects into their own work with students.