bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fault monitoring based on locally weighted probabilistic kernel partial least square for nonlinear time‐varying processes
Authors: Xie Ying 
Published: December 2019

AbstractIn this paper, novel data‐driven fault detection and diagnosis approaches are proposed on the basis of a new locally weighted probabilistic kernel partial least squares (LWPKPLS). (a) LWPKPLS can construct an accurate model for a time‐varying process by updating itself using the newly coming samples, thus LWPKPLS can be used to monitor time‐varying processes. (b) By the integration of local weighted regression and kernel tricks, the LWPKPLS can be applied to construct models for processes with much stronger nonlinear data characteristics. (c) Meanwhile, as a probabilistic regression model, LWPKPLS can process data with random noises and missing values. (d) A set of process monitoring approaches including fault detection and fault diagnosis are developed on the basis of LWPKPLS. At last, the experiment results from a numerical example and an ion‐exchange membrane electrolysis process (IEMEP) demonstrate that the proposed process monitoring approaches have satisfactory monitoring performance.
Photoinduced Processes within Noncovalent Complexes Involved in Molecular Recognition
Authors: Abdelmouleh Marwa , Lalande Mathieu , Vizcaino Violaine , Schlathölter Thomas , Poully Jean‐Christophe 
Published: December 2019

AbstractInvestigating the intrinsic properties of molecular complexes is crucial for understanding the influence of noncovalent interactions on fundamental chemical reactions. Moreover, specific molecular recognition between a ligand and its receptor is a highly important biological process, but little is known about the effects of ionizing radiation on ligand–receptor complexes. The processes triggered by VUV photoabsorption on isolated noncovalent complexes between the glycopeptide antibiotic vancomycin and a mimic of its receptor have been probed by means of mass spectrometry and synchrotron radiation. In the case of protonated species, the glycosidic bond of vancomycin was cleaved with low activation energy, regardless of the molecular environment. In sharp contrast, for deprotonated species, electron photodetachment from carboxylate groups only triggered CO2 loss, whereas the glycosidic bond remained intact. Importantly, the noncovalent complex was also found to survive VUV photoabsorption only when the native structure is conserved in the gas phase.
α‐Imino Gold Carbene Intermediates from Readily Accessible Sulfilimines: Intermolecular Access to Structural Diversity
Authors: Tian Xianhai , Song Lina , Hashmi A. Stephen K. 
Published: December 2019

AbstractCatalytic approaches to pharmaceutically important bioactive skeletons through gold carbene intermediates have experienced a dramatic development in the last decade. Although various carbene precursors continue to play an important role in heterocyclic syntheses, these reagents are associated with some drawbacks in terms of functional group tolerance, synthetic methods and safety limitations. A new generation of nitrene transfer reagents was established in 2019: the sulfilimines. These are safe, inexpensive and readily available. They can conveniently be stored and handled, and thus represent ideal reagents for the fast and modular modification of scaffolds and the preparation of libraries by intermolecular reactions of two components. Both the practical methods for synthesizing sulfilimines and the versatility of these ylidic species in gold‐catalyzed preparation of structural diversity, for both heterocycles and carbocycles, will be outlined in this Concept article.
Chen's Reagent: A Versatile Reagent for Trifluoromethylation, Difluoromethylenation, and Difluoroalkylation in Organic Synthesis†
Authors: Xie Qiqiang , Hu Jinbo 
Published: December 2019

SummaryMethyl fluorosulfonyldifluoroacetate (FSO2CF2CO2Me or MFSDA), often called “Chen's reagent”, is commonly used to synthesize trifluoromethylated and difluoroalkylated compounds. This important reagent was initially developed as an efficient trifluoromethylating agent by Professor Qing‐Yun Chen and co‐workers at Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences in 1989. Since then, this reagent has been widely used in academia and industry for the copper‐mediated trifluoromethylation of aryl, alkenyl, and even some alkyl halides, among others. During the last decade, this reagent was further developed as a difluorocarbene precursor as well as a radical difluoroalkylating agent under visible light promoted redox catalysis. This review aims to briefly highlight the initial discovery, historical development, and synthetic applications of Chen's reagent, and provide some guidelines for readers to use Chen's reagent in their own synthesis.
Landscape of systemic therapy for ovarian cancer in 2019: Primary therapy
Authors: Fujiwara Keiichi , Hasegawa Kosei , Nagao Shoji 
Published: December 2019

According to the statement from the 5th Ovarian Cancer Consensus Conference in 2015, the primary systemic chemotherapy for advanced ovarian cancer is a combination of paclitaxel plus carboplatin administered every 3 weeks (PCq3w). Optional alternatives include weekly dose‐dense paclitaxel, in combination and maintenance therapy with bevacizumab, and intraperitoneal chemotherapy. Since then, in addition to the PCq3w strategy, there has been emerging new evidence, especially for poly(adenosine diphosphate–ribose) polymerase inhibitors. Moreover, there are multiple randomized, phase 3 trials testing the addition of antiangiogenic and/or immune checkpoint inhibitors in this patient population. In this article, current and future perspectives of systemic chemotherapy for advanced ovarian cancer are discussed.
Targeting fusions for improved outcomes in oncology treatment
Authors: Nikanjam Mina , Okamura Ryosuke , Barkauskas Donald A. , Kurzrock Razelle 
Published: December 2019

BackgroundFusions are increasingly pursued as oncology therapeutic targets. The current study evaluated differences in outcomes for fusion versus nonfusion targets.MethodsOutcomes were compared for patients with fusions versus those with other alterations for US Food and Drug Administration–approved single agents (from package inserts) and for patients treated at the University of California at San Diego.ResultsA total of 28 drugs approved by the US Food and Drug Administration (6189 patients) were included in the analysis. The median response rate was 68% versus 50% for fusions versus nonfusion matches (odds ratio [OR], 1.67; P < .0001); solid tumor therapies had an OR of 2.07 (P < .0001) and hematologic therapies had an OR of 3.35 (P < .0001) for fusion versus nonfusion targets. The University of California at San Diego analysis included 79 patients in whom fusions were treated of the 2455 patients screened. Patients matched to fusions were found to have a longer median progression‐free survival (PFS) (11.6 months; 95% CI, 4.0‐35.4 months) compared with those unmatched to fusions (4.9 months; 95% CI, 3.5‐8.8 months) (P = .034). Patients with fusions matched to other alterations present in the tumor had a median PFS that was indistinguishable from that of those patients with fusions who were treated with unmatched therapy (4.0 months vs 5.0 months; P = .75).ConclusionsSignificantly higher response rates and a longer PFS were observed when targeting fusions compared with nonfusions. The observations reported in the current study suggest that fusions are important targets and that additional studies are needed to confirm that optimized therapy may require targeting fusions, even in the presence of other alterations.
The Effect of Food on the Single‐Dose Bioavailability and Tolerability of the Highest Marketed Strength of Duloxetine
Authors: Rizea‐Savu Simona , Duna Simona Nicoleta , Ghita Adrian , Iordachescu Adriana , Chirila Marinela 
Published: December 2019

AbstractDuloxetine is a combined serotonin and norepinephrine reuptake inhibitor indicated in adults for the treatment of major depressive disorder, diabetic peripheral neuropathic pain, and generalized anxiety disorder. The aim of these studies was to evaluate the effect of food on the pharmacokinetics and safety of duloxetine 60‐mg gastroresistant hard capsules following single‐dose administration. The data were obtained from 2 phase 1 bioequivalence studies, 1 in a fasting state and the other under fed conditions. Both studies have shown that, when administered as a single dose in the same prandial state, the test and reference duloxetine treatments were bioequivalent and exhibited similar safety profiles. The mean fed and fasting pharmacokinetic parameters and drug‐related adverse events from the 2 studies were compared in order to assess the effect of food on the duloxetine bioavailability and respectively, tolerability. Administration of duloxetine in fed conditions increased peak plasma concentration by up to 30% and delayed mean time to peak concentration by an average of 1.15 hours while having an insignificant effect on extent of absorption (area under the plasma concentration–time curve in fed state within ±6% as compared with fasting conditions). Even though peak plasma levels were substantially higher in the fed state, there was no negative impact on the drug's safety profile. Actually, administration with food resulted in a lower average number of adverse events per single dose exposure. The negligible variation in overall systemic exposure suggests that efficacy remains unchanged irrespective of administration conditions; however, a better tolerability of the 60‐mg dose is expected when the drug is taken with food.
Arabidopsis Thaliana: From Weed to Model Organism
Authors: Diaz Michael 
Published: December 2019

AbstractArabidopsis thaliana is a small plant of significant economic and agronomic importance. While Arabidopsis is not a crop plant, it is not so different in its fundamental properties. Arabidopsis is a member of the Brassicaceae family, which constitutes one of the world's most economically important plant groups. According to the United Nations, globally Brassicaceae crops are worth $31 billion, and the number is likely to increase since a number of related species within this family are underutilized edible varieties. Its small size is an advantage to researchers with limited space and funding; simply put, a smaller plant requires fewer resources. Arabidopsis has been studied most intensely for the last 40 years and officially became a model plant in the late 1990s. Since then, the community has developed genetic and genomic resources so numerous that the barrier to entry to studying Arabidopsis is relatively low. This article provides a primer to how Arabidopsis came to be a model organism and highlights essential techniques every Arabidopsis researcher should be aware of to advance the pace of discovery. © 2019 by John Wiley & Sons, Inc.
The Use of Mobile Applications in Research
Authors: Gallagher Sean R. 
Published: December 2019

AbstractIn science and engineering, there are a range of easy‐to‐access software applications for smart phones, tablets, and laptop and desktop computers that greatly simplify basic and advanced laboratory research activities. The available software programs include numerous mobile and web‐friendly applications for electronic laboratory notebooks, project planning, solution calculations, and advanced scientific calculations and analysis, and even simple‐to‐use apps for your favorite scientific meetings. A typical collection of mobile‐friendly applications is discussed here in the context of preparing, performing, and presenting your research. © 2019 by John Wiley & Sons, Inc.
“Hetero‐Multifunctionalization” of Gallium Corroles: Facile Synthesis, Phosphorescence, Redox Tuning, and Photooxidative Catalytic Improvement
Authors: Zhan Xuan , Zini Yael , Fridman Natalia , Chen Qiu‐Cheng , Churchill David G. , Gross Zeev 
Published: December 2019

AbstractBromination of tris‐ and tetrakis‐trifluoromethylated gallium corroles (3CF3−Ga and 4CF3−Ga) afforded tetrabrominated species 3CF3−4Br−Ga and 4CF3−4Br−Ga (yields: 20 % and 25 %) characterized by NMR, UV‐vis spectroscopy, and mass spectrometry. Red‐shifted absorption and emission bands were found; 3CF3−4Br−Ga and 4CF3−4Br−Ga displayed 5–12 nm shifts in their Soret bands and 8–17 nm shifts for their Q bands, compared to the respective nonbrominated species (3CF3−Ga and 4CF3−Ga). The respective ΦF values were found to be 0.013 and 0.016; phosphorescence (lifetime=0.23 μs) was observed for 3CF3−4Br−Ga (anaerobic, RT). The effect of tetrabromination on redox potentials (0.89 and 0.99 V) gave a 85 mV shift per Br atom in the reduction potential. 4CF3−4Br−Ga allows for efficient catalytic photooxidative Br− to Br2 conversion compared to the β‐octa‐Br system (Br8−Ga) structurally characterized here. This “hetero‐multifunctionalization” approach, that is, is substitution with different sets of β‐substituents, can help optimize porphyrinoid properties.
Quantitative Proteomic Profiling of Cryptococcus neoformans
Authors: Ball Brianna , Geddes‐McAlister Jennifer 
Published: December 2019

AbstractCryptococcus neoformans is an opportunistic human fungal pathogen commonly associated with infection in immunocompromised individuals (e.g., patients with HIV/AIDS). Important virulence determinants include the production of a polysaccharide capsule, melanin, and extracellular enzymes, as well as the ability to grow at 37°C. C. neoformans controls a plethora of host defense and evasion mechanisms to survive during infection and to proliferate within the host, causing meningoencephalitis and death. Traditionally, characterization of C. neoformans under different environmental conditions and stresses has relied on genetic and phenotypic analyses, as well as biochemical assays. However, advances in mass spectrometry instrumentation, sample preparation protocols, and bioinformatic tools and databases promote comprehensive profiling of fungal cellular processes, secretion or protein release into the extracellular environment, and vesicle contents. Moreover, proteomics provides insight into regulatory mechanisms influencing signal transduction cascades and protein complexes or networks through profiling of post‐translational modifications and protein–protein interactions. Given the medical impact of C. neoformans infections and the recent emergence of antifungal‐resistant strains, defining proteins produced in response to unique environments provides an opportunity to uncover antivirulence strategies and alternative therapeutic options to combat infection. Here, we describe culturing and sample preparation of C. neoformans and outline protocols for comprehensively profiling changes in protein abundance within the cellular proteome and secretome. © 2019 by John Wiley & Sons, Inc.Basic Protocol 1: Growth and sample preparation of Cryptococcus neoformansBasic Protocol 2: Protein extraction from supernatantBasic Protocol 3: Protein extraction from cell pelletBasic Protocol 4: Proteomic profiling and bioinformatics
Salivary concentrations of Streptococcus mutans and Lactobacilli during an orthodontic treatment. An observational study comparing fixed and removable orthodontic appliances
Authors: Mummolo Stefano , Tieri Marco , Nota Alessandro , Caruso Silvia , Darvizeh Atanaz , Albani Francesca , Gatto Roberto , Marzo Giuseppe , Marchetti Enrico , Quinzi Vincenzo , Tecco Simona 
Published: December 2019

AbstractAimThis study aimed to investigate salivary concentrations of Streptococcus mutans (S. mutans) and some Lactobacilli, and plaque index (PI) in patients wearing fixed versus removable orthodontic appliances.MethodsA sample of 90 orthodontic patients (56 males and 34 females) was included in the study: 30 subjects (aged 21.5±1.5 years) were treated with removable clear aligners (CA), while for other 30 cases (aged 23.3±1.6 years) a fixed multibrackets appliance (MB) were utilized, and 30 patients (aged 18.2 ±1.5 years) wearied a removable positioner (RP). Salivary concentrations of S. mutans and Lactobacilli and PI were evaluated prior to start of the orthodontic treatment, after 3 months and 6 months.ResultsAfter 6 months, 40% of MB patients (12 subjects over 30) showed a concentration of S. mutans associated to high risk of developing tooth decay (CFU/ml>105), differently from participants wearing removable appliances (odds ratio = 5.05; 95% C.I. = 1.72‐14.78; chi‐square = 9.64; p = 0.0019). The same trens was observed for the concentration of Lactobacilli (odds ratio = 4.33; 95% C.I. = 1.53‐12.3; chi‐square = 8.229; p = 0.004).In addition, over the duration of the study, CA patients maintained PI at 0 level, while MB patients experienced a statistically significant increasing trend of PI over time, and their PI became clinically/statistically relevant after 6 months, respect to CA and RP patients.ConclusionsComparing all the data, while, after 6 months, only about 10% of CA patients and 13.3% of RP patients achieved a microbial colonization which may lead to high risk of caries development, about 40% of MB patients ‐ and 20% after 3 months ‐ showed a high level of vulnerability to developing caries, which require additional strategies for plaque control and microbial colonization to be employed.
H2‐free Synthesis of Aromatic, Cyclic and Linear Oxygenates from CO2
Authors: Gomez Laura Quintana , Shehab Amal K. , Al‐Shathr Ali , Ingram William , Konstantinova Mariia , Cumming Denis , McGregor James 
Published: December 2019

AbstractThe synthesis of oxygenate products, including cyclic ketones and phenol, from carbon dioxide and water in the absence of gas‐phase hydrogen has been demonstrated. The reaction takes place in subcritical conditions at 300 °C and pressure at room temperature of 25 barg. This is the first observation of the production of cyclic ketones by this route and represents a step towards the synthesis of valuable intermediates and products, including methanol, without relying on fossil sources or hydrogen, which carries a high carbon footprint in its production by conventional methods. Inspiration for these studies was taken directly from natural processes occurring in hydrothermal environments around ocean vents. Bulk iron and iron oxides were investigated to provide a benchmark for further studies, whereas reactions over alumina and zeolite‐based catalysts were employed to demonstrate, for the first time, the ability to use catalyst properties such as acidity and pore size to direct the reaction towards specific products. Bulk iron and iron oxides produced methanol as the major product in concentrations of approximately 2–3 mmol L−1. By limiting the hydrogen availability through increasing the initial CO2/H2O ratio the reaction could be directed to yield phenol. Alumina and zeolites were both observed to enhance the production of longer‐chained species (up to C8), likely owing to the role of acid sites in catalysing rapid oligomerisation reactions. Notably, zeolite‐based catalysts promoted the formation of cyclic ketones. These proof‐of‐concept studies show the potential of this process to contribute to sustainable development through either targeting methanol production as part of a “methanol economy” or longer‐chained species including phenol and cyclic ketones.
An asynchronous pulse width modulator for DC‐DC buck converter
Authors: Inanlou Reza , Shoaei Omid , Tamaddon Mohsen 
Published: December 2019

SummaryThis paper presents an asynchronous pulse width modulation (APWM) approach for the analysis of a new class of the switched mode power supply (SMPS). The proposed APWM significantly simplified the mathematical analysis by utilizing a binary comparator (BAPWM) and a distinctive delay cell instead of hysteretic comparator. By this way, the mathematical analysis can be extended to study the behavior of high‐order self‐oscillating modulators in terms of key parameters such as the harmonic distortion and the stability. The performance of the proposed BAPWM is deeply analyzed for different orders of loop filters (here up to third order) in both time and frequency domain. To verify the effectiveness of the proposed analytical derivations, the BAPWMs are employed in a classic synchronous DC‐DC buck converter and its closed loop performance, in terms of stability, has been investigated. Then the converter is designed and simulated in 130‐nm CMOS technology to convert input voltage of 5 to 3.3 V with maximum load current of 1 A, using Spectre simulator. From the post‐layout simulation results, the peak efficiency conversion efficiency for 3.3 V output voltage is higher than 89%.
Quantitative and qualitative consequences of reduced pollen loads in a mixed‐mating plant
Authors: Hildesheim Laura S. , Opedal Øystein H. , Armbruster W. Scott , Pélabon Christophe 
Published: December 2019

AbstractGreater pollination intensity can enhance maternal plant fitness by increasing seed set and seed quality as a result of more intense pollen competition or enhanced genetic sampling. We tested experimentally these effects by varying the pollen load from a single pollen donor on stigmas of female flowers of Dalechampia scandens (Euphorbiaceae) and measuring the effects on seed number and seed mass. Seed set increased rapidly with pollen number at low to moderate pollen loads, and a maximum set of three seeds occurred with a mean pollen load of 19 pollen grains. We did not detect a trade‐off between the number of seeds and seed mass within a fruit. Seed mass increased with increasing pollen load, supporting the hypothesis of enhanced seed quality via increased pollen‐competition intensity or genetic sampling. These results suggest that maternal fitness increases with larger pollen loads, even when the fertilization success is already high. Our results further highlight the importance of high rates of pollen arrival onto stigmas, as mediated by reliable pollinators. Comparing the pollen‐to‐seed response curve obtained in this experiment with those observed in natural populations suggests that pollen limitation may be more severe in natural populations than predicted from greenhouse studies. These results also indicate that declines in pollinator abundance may decrease plant fitness through lowered seed quality before an effect on seed set is detected.
Molecular Recognition of Phenylalanine Enantiomers onto a Solid Surface Modified with Electropolymerized Pyrrole‐β‐Cyclodextrin Conjugate
Authors: Shishkanova Tatiana V. , Habanová Nina , Řezanka Michal , Broncová Gabriela , Fitl Přemysl , Vrňata Martin , Matějka Pavel 
Published: December 2019

AbstractWe report the electrochemical deposition of a β‐cyclodextrin pyrrole conjugate (Py‐β‐CD) on an electrode surface including i) characterization based on surface‐enhanced Raman scattering and field‐emission scanning electron microscopy; ii) studies of the molecular recognition of enantiomers of phenylalanine methyl ester hydrochlorides (Phe) based on linear sweep voltammetry and a quartz crystal microbalance. The PPy‐β‐CD polymeric layer on a metallic substrate is distinguished by its inhomogeneity, in which both highly ordered β‐CD units and highly disordered polymer chains are observed. The voltammetric recognition results showed that PPy‐β‐CD exhibited a higher sensitivity for d‐Phe (138±15)×103 than for l‐Phe (6±1)×103  within the concentration range 0.1–0.75 mM (n=3) despite the differences in the polymer arrangement on the surface. A possible mechanism of molecular recognition of phenylalanine enantiomers is discussed.