bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper(I)‐Catalyzed Chemoselective Coupling of Cyclopropanols with Diazoesters: Ring‐Opening C−C Bond Formations
Authors: Zhang Hang , Wu Guojiao , Yi Heng , Sun Tong , Wang Bo , Zhang Yan , Dong Guangbin , Wang Jianbo 
Published: March 2017

AbstractReported herein is an exceptional chemoselective ring‐opening/C(sp3)−C(sp3) bond formation in the copper(I)‐catalyzed reaction of cyclopropanols with diazo esters. The conventional O−H insertion product is essentially suppressed by judicious choice of reaction conditions. DFT calculations provide insights into the reaction mechanism and the rationale for this unusual chemoselectivity.
Übergangsmetallkatalysierte Nutzung von Methanol als C1‐Quelle in der organischen Synthese
Authors: Natte Kishore , Neumann Helfried , Beller Matthias , Jagadeesh Rajenahally V. 
Published: March 2017

AbstractMethanol ist als Lösungsmittel, als billiges Reagenz und als nachhaltiger Grundstock für wertvolle Chemikalien, Pharmazeutika und Werkstoffe von Nutzen. Unter den verschiedenen Anwendungen ist der Gebrauch von Methanol als C1‐Quelle für die Bildung von C‐C‐, C‐N‐ und C‐O‐Bindungen nach wie vor in der organischen Synthese und in der Arzneimittelforschung wichtig. Besonders die C‐, N‐ und O‐Methylierung ist von zentralem Interesse, weil die resultierenden Strukturmotive in Naturstoffen sowie in Fein‐ und Großchemikalien vorkommen. In diesem Minireview fassen wir die Nutzung von Methanol als C1‐Quelle für Methylierungen, Methoxylierungen, Formylierungen, Methoxycarbonylierungen und die oxidative Methylesterbildung zusammen.
Managing Hydrogen Bonding in Clathrate Hydrates by Crystal Engineering
Authors: Shin Kyuchul , Moudrakovski Igor L. , Ratcliffe Christopher I. , Ripmeester John A. 
Published: March 2017

AbstractMethanol is one of the most common inhibitors for clathrate hydrate formation. Crystalline clathrate hydrates containing methanol were synthesized and analyzed by powder X‐ray diffraction and 13C NMR spectroscopy. The data obtained demonstrate that methanol can be a helper guest for forming structure I, structure II, and structure H clathrate hydrates, as long as the lattice framework contains NH4F. The latter acts as a lattice stabilizer by providing sites for strong hydrogen bonding of the normally disruptive methanol hydroxy group. NH4F and methanol can be considered key materials for crystal engineering of clathrate hydrates, as the modified lattices allow preparation of hydrates of non‐traditional water‐soluble guests such as alcohols and diols. Methanol takes on the role of an unconventional helper guest. This extends clathrate chemistry to a realm where neither hydrophobic guests nor high pressures are required. This also suggests that more stable lattices can be engineered for applications such as gas storage.
Long‐Chain Alkyl Cyanides: Unprecedented Volatile Compounds Released by Pseudomonas and Micromonospora Bacteria
Authors: Montes Vidal Diogo , von Rymon‐Lipinski Anna‐Lena , Ravella Srinivasa , Groenhagen Ulrike , Herrmann Jennifer , Zaburannyi Nestor , Zarbin Paulo H. G. , Varadarajan Adithi R. , Ahrens Christian H. , Weisskopf Laure , Müller Rolf , Schulz Stefan 
Published: March 2017

AbstractThe analysis of volatiles from bacterial cultures revealed long‐chain aliphatic nitriles, a new class of natural products. Such nitriles are produced by both Gram‐positive Micromonospora echinospora and Gram‐negative Pseudomonas veronii bacteria, although the structures differ. A variable sequence of chain elongation and dehydration in the fatty acid biosynthesis leads to either unbranched saturated or unsaturated nitriles with an ω−7 double bond, such as (Z)‐11‐octadecenenitrile, or methyl‐branched unsaturated nitriles with the double bond located at C‐3, such as (Z)‐13‐methyltetradec‐3‐enenitrile. The nitrile biosynthesis starts from fatty acids, which are converted into their amides and finally dehydrated. The structures and biosyntheses of the 19 naturally occurring compounds were elucidated by mass spectrometry, synthesis, and feeding experiments with deuterium‐labeled precursors. Some of the nitriles showed antimicrobial activity, for example, against multiresistant Staphylococcus aureus strains.
Do People Order Cues by Retrieval Fluency when Making Probabilistic Inferences?
Authors: Dimov Cvetomir M. , Link Daniela 
Published: March 2017

AbstractIn multiple‐cue probabilistic inferences, people infer alternatives' unknown values on decision criteria, using alternatives' attributes as cues. Some inferential strategies, like take‐the‐best, assume that people consider relevant cues sequentially in order of decreasing validity. This assumption has been deemed cognitively implausible by some, who suggest memory retrieval principles to guide cue order. We test whether memory‐based inferences are better described by a model considering cues in order of validity or in order of memory retrieval. In an experiment, we manipulated the frequency with which cues appeared in a learning phase, increasing retrieval fluency of cue values related to the more frequently appearing cue. In a subsequent decision phase, participants made a series of two‐alternative decisions based on the learned cue values. We compared two sequential sampling models, which differed in whether cues are sampled in order of subjective cue validity or in order of retrieval fluency. To model retrieval order of cues in the fluency sampling model, we used the declarative memory theory embedded in the ACT‐R cognitive architecture. Most participants' decisions were best described by the model sampling cues in order of memory retrieval. Only a minority of participants were classified as sampling cues by validity. Our result suggests that retrieval fluency is the primary driver of cue order in inferences from memory, irrespective of the cues' validities. Copyright © 2017 John Wiley & Sons, Ltd.
Can We Rely on Pharmacy Claims Databases to Ascertain Maternal Use of Medications during Pregnancy?
Authors: Zhao Jin‐Ping , Sheehy Odile , Gorgui Jessica , Bérard Anick 
Published: March 2017

BackgroundAdministrative databases are increasingly used to measure drug exposure in perinatal pharmacoepidemiology. We aimed to estimate the concordance between records of prescriptions filled in pharmacies and self‐reported drug use during pregnancy.MethodsData on self‐reported medication use were collected at each trimester of pregnancy among a sub‐sample from the Organization of Teratology Information Specialists Antidepressants in Pregnancy Cohort. Women were eligible if they were Quebec resident and provided their pharmacist's contact information. Maternal self‐reports were compared with prescriptions filled in pharmacies, which are transferred to pharmaceutical services files of Quebec provincial health plan database (Régie de l'asssurance maladie du Québec). Positive and negative predictive values (PPV and NPV) for medications taken chronically (antidepressants, thyroid hormones), acutely (antibiotics), and as needed (antiemetics, asthma medications) were calculated.ResultsAmong the 93 participants (mean age = 30.2 ± 3.8 years), 41.9% (n = 39) took at least one antidepressant during pregnancy according to self‐reports, and 39.8% (n = 37) according to pharmacy records. Other commonly used drugs were antiemetics (self‐reported 22.6%, pharmacy record 24.7%), antibiotics (20.4%, 16.1%), asthma medications (15.1%, 15.1%), and thyroid hormones (10.8%, 8.6%). PPVs and NPVs were: (1) chronic medication: antidepressants PPV = 100% (95% confidence interval [CI], 100–100%), NPV = 96% (95% CI, 92–100%); thyroid hormones PPV = 100% (95% CI, 100–100%), NPV = 98% (95% CI, 95–100%); (2) Acute medication: antibiotics PPV = 87% (95% CI, 70–100%), NPV = 92% (95% CI, 86–98%); (3) as needed medications: antiemetics: PPV = 78% (95% CI, 62–95%), NPV = 96% (95% CI, 91–100%); asthma: PPV = 33% (95% CI, 3–64%), NPV = 99% (95% CI, 97–100%).ConclusionThe high PPV and NPV validate the use of filled prescription data in large databases as a measure of medication exposure. Birth Defects Research 109:423–431, 2017. © 2017 Wiley Periodicals, Inc.
Graphite oxide‐dispersed CdTe quantum dots nanocomposite for flexible display luminescent membranes
Authors: Liu Cui , Du Lei , Lin Yongjun , Liang Jiyuan , Liu Jun'an , Cao Yuan‐Cheng 
Published: March 2017

AbstractA quantum dot (QD) dispersant material was prepared using graphite oxide (GO). Luminescent films were prepared using polyvinyl alcohol as the polymer matrix. First, water‐soluble CdTe QDs were prepared by wet chemistry and GO was synthesized using a modified Hummers method. X‐Ray diffraction tests showed that the GO reflection peak [001] was 11.9°, which indicates that the d‐spacing is 0.7431 nm; atomic force microscopy showed a GO thickness of 200 nm. Fourier transform infrared spectra showed vibrations at 1624 cm−1 for the carbonyl groups, and 3260 cm−1 for the GO samples; the ‐C–O vibration was at 1320 cm−1 and ‐COOH, −OH vibrations were at 950 cm−1. Fluorescent tests showed that pH had an impact on the QD colloidal stability. GO was neutralized before use as the host media for the GO/QDs nanocomposite. The results proved that the resultant nanocomposite is promising for use in brightness enhancement films in flexible displays.
Pedagogy of solutions to a set of linear equations using a Matlab workbook
Authors: Shankar P. Mohana 
Published: March 2017

ABSTRACTA Matlab workbook capable of generating complete solutions to a set of linear equations is presented. While standard routines in Matlab and Maple provide solutions to a set of equations, additional work is needed to interpret and relate them to the concepts covered in an undergraduate course in Linear Algebra. One also runs into difficulties when the system of equations is inconsistent. The workbook, started as a simple demo for students, evolved into its present form where the solutions to a set of linear equations are displayed on a single page with explanations, annotations, and equations that match the work by the instructor in class. Regardless of whether the system is consistent or inconsistent with general or unique solutions, the solution set is presented with information such as the rank of a matrix, pivots, null space, free and basic variables, etc., providing the pedagogy. The solutions are compared to those obtained using standard packages from Matlab and Maple demonstrating their shortcomings and limits. In contrast, the results of the workbook provide complete instructive aspects of solutions to a set of linear equations enhancing the educational experience of students. © 2017 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:345–351, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21803
A Matlab workbook on the pedagogy of generalized eigenvectors
Authors: Shankar P. M. 
Published: March 2017

ABSTRACTThe pedagogical aspects of generalized eigenvectors are demonstrated using a Matlab workbook. With the simple input of a square matrix, the workbook displays the theoretical background, classifies the matrix as defective or non‐defective, and processes the matrix further. It obtains the algebraic and geometric multiplicities, and identifies the eigenvalues making the matrix defective. The generalized eigenvectors are calculated and displayed, every step fully annotated to bring out the didactic aspects. These include reiteration of the multiplicities and association of specific eigenvalues with eigenvector and generalized eigenvectors. Unlike simple Matlab scripts that provide eigenvalues and eigenvectors without validation, the workbook generates the matrix exponential using eigenvalues and eigenvectors and compares it to matrix exponentials obtained using inverse Laplace transforms and directly in Matlab. The workbook with annotations, verification and displays matching instructor's classroom work can be expected to enhance the understanding of eigenvectors, generalized eigenvectors, multiplicities, fundamental matrix, and matrix exponential. © 2017 Wiley Periodicals, Inc. Comput Appl Eng Educ 25:411–419, 2017; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21808
CircRNA hsa_circ_0005105 upregulates NAMPT expression and promotes chondrocyte extracellular matrix degradation by sponging miR‐26a
Authors: Wu You , Zhang Ying , Zhang Yu , Wang Jia‐Jia 
Published: March 2017

AbstractOsteoarthritis (OA) is a chronic disease pathologically characterized by articular cartilage degeneration and damage. Currently, studies have found that circular RNA (circRNA) is involved in intracellular RNA regulating network and is closely related to the occurrence and development of diseases, therefore it may become a new biological marker and therapeutic target. After stimulating chondrocytes with interleukin‐1 beta (IL‐1β), hsa_circ_0005105 expression was significantly upregulated, while miR‐26a expression was significantly inhibited. Hsa_circ_0005105 did not influence miR‐26a expression but inhibited its transcriptional activity so as to upregulate the expression of its target NAMPT. Studies further indicated that hsa_circ_0005105 can inhibit the expression of type II collagen and aggrecan, promote the expression of MMP‐13 and ADAMTS‐4, and the generation of PGE2, IL‐6, and IL‐8, but the linear sequence of hsa_circ_0005105 cannot. MiR‐26a has the opposite effect, and hsa_circ_0005105 can antagonize the function of miR‐26a. When NAMPT expression was downregulated, the above function of hsa_circ_0005105 was significantly weakened. Therefore, hsa_circ_0005105 can promote extracellular matrix (ECM) degradation by regulating the expression of miR‐26a target NAMPT. These findings will provide new targets for treatment and prevention of OA and other orthopedic diseases.
Asymmetric Cascade Catalysis with Chiral Polyoxometalate‐Based Frameworks: Sequential Direct Aldol and Epoxidation Reactions
Authors: Han Qiuxia , Li Wenwen , Wang Shugai , He Jiachen , Du Wei , Li Mingxue 
Published: March 2017

AbstractCatalytic asymmetric cascade reactions in which the substrates are transferred through well‐choreographed consecutive independent steps by a single catalyst have received increasing interest. By incorporating a chiral organocatalyst pyrrolidine, an oxidation catalyst polyoxometalate and a Lewis acid catalyst copper(II) into a single porous coordination network (PCN), two enantiomorph CuW‐PYIs (PYI=pyrrolidine‐2‐yl‐imidazole) with novel Kagomé lattice were achieved and applied in the conversion of aldehyde with ketone into value‐added chiral epoxy ketones in a one‐pot procedure. The chiral pyrrolidine organocatalysts interact with the carbonyl group of ketones throughout the reaction, which is beneficial for achieving compatibility between the reaction intermediates and synergy of the multiple catalytic cycles, thus driving the direct aldol/epoxidation cascade reaction in an orderly and asymmetrical way. Moreover, the “two‐center catalysis” principle was well demonstrated in the direct aldol/epoxidation cascade reactions.
Design Rules for the Taylor‐Couette Disc Contactor
Authors: Grafschafter Annika , Siebenhofer Matthäus 
Published: March 2017

AbstractThe Taylor‐Couette disc contactor (TCDC) is a stirred liquid‐liquid phase contactor which is suitable for applications in bioseparations. For liquid‐liquid reactor design, information about the specific mass transfer area is inevitable. Therefore, the drop size distribution and holdup in the TCDC were investigated under various operating conditions and appropriate correlations for the prediction of these parameters have been determined. Experimental data of drop size distributions were correlated with lognormal, Gaussian, and Weibull drop size distribution functions.
Preparation of Close‐Packed Silver Nanoparticles on Graphene to Improve the Enzyme Immobilization and Electron Transfer at Electrode in Glucose/O2 Biofuel Cell
Authors: Qu Fengjin , Ma Xiaoyan , Hui Yuchen , Chen Fang , Gao Yan 
Published: March 2017

AbstractIn this study, chemical reduced graphene‐silver nanoparticles hybrid (AgNPs@CR‐GO) with close‐packed AgNPs structure was used as a conductive matrix to adsorb enzyme and facilitate the electron transfer between immobilized enzyme and electrode. A facile route to prepare AgNPs@CR‐GO was designed involving in β‐cyclodextrin (β‐CD) as reducing and stabilizing agent. The morphologies of AgNPs were regulated and controlled by various experimental factors. To fabricate the bioelectrode, AgNPs@CR‐GO was modified on glassy carbon electrode followed by immobilization of glucose oxidase (GOx) or laccase. It was demonstrated by electrochemical testing that the electrode with close‐packed AgNPs provided high GOx loading (Γ=4.80 × 10−10 mol•cm−2) and fast electron transfer rate (ks=5.76 s−1). By employing GOx based‐electrode as anode and laccase based‐electrode as cathode, the assembled enzymatic biofuel cell exhibited a maximum power density of 77.437 μW•cm−2 and an open‐circuit voltage of 0.705 V.
Chemicals from Biomass: Combining Ring‐Opening Tautomerization and Hydrogenation Reactions to Produce 1,5‐Pentanediol from Furfural
Authors: Brentzel Zachary J. , Barnett Kevin J. , Huang Kefeng , Maravelias Christos T. , Dumesic James A. , Huber George W. 
Published: March 2017

AbstractA process for the synthesis of 1,5‐pentanediol (1,5‐PD) with 84 % yield from furfural is developed, utilizing dehydration/hydration, ring‐opening tautomerization, and hydrogenation reactions. Although this process has more reaction steps than the traditional direct hydrogenolysis of tetrahydrofurfuryl alcohol (THFA), techno‐economic analyses demonstrate that this process is the economically preferred route for the synthesis of biorenewable 1,5‐PD. 2‐Hydroxytetrahydropyran (2‐HY‐THP) is the key reaction pathway intermediate that allows for a decrease in the minimum selling price of 1,5‐PD. The reactivity of 2‐HY‐THP is 80 times greater than that of THFA over a bimetallic hydrogenolysis catalyst. This enhanced reactivity is a result of the ring‐opening tautomerization to 5‐hydoxyvaleraldehyde and subsequent hydrogenation to 1,5‐PD.
Understand the Degradation Mechanism of Electrochromic WO3 Films by Double‐step Chronoamperometry and Chronocoulometry Techniques Combined with in situ Spectroelectrochemical Study
Authors: Zhou KaiLing , Wang Hao , Zhang YongZhe , Liu JingBing , Yan Hui 
Published: March 2017

AbstractIn this paper, we demonstrate that the double‐step chronoamperometry and chronocoulometry techniques are efficient tools for characterizing the basic electrochromic performance of WO3 films (i. e., coloration/bleaching conversion, charge capacity and coloration efficiency). In combination with in situ spectroelectrochemical study, the variations in the optical modulation and charge capacity of the WO3 film under different potential windows were attributed to different ion diffusion depths and the quantity of WO3 sites participating in the redox reaction. Moreover, the double‐step techniques have distinctive advantages for analyzing the cyclic mechanism of the WO3 film. When the inserted Li+ ions in the coloration process cannot be completely extracted from the film in the next bleaching process, these ions accumulate in the film upon cycling, leading to the degradation of the electrochromic performance. Here the accumulated ions are referred to as “unrecoverable ions”. The abundant formation of unrecoverable ions may be due to incomplete reduction of a portion of LixWO3, which is caused by collapse of the Li+ ion diffusion channels in the deep of film after repeated cycles. All these results support that the double‐step chronoamperometry and chronocoulometry techniques have significant advantages to analyze the cyclic stability and explore the degradation mechanism of electrochromic WO3 films.
The Effects of Exercise and Relaxation on Health and Wellbeing
Authors: Forbes Hannah , Fichera Eleonora , Rogers Anne , Sutton Matt 
Published: March 2017

SummaryBetter management by individuals of their long‐term conditions is promoted to improve health and reduce healthcare expenditure. However, there is limited evidence on the determinants and consequences of self‐management activity. We investigate the determinants of two forms of self‐management, exercise and relaxation, and their impact on the health and wellbeing of 3472 individuals with long‐term health conditions over a 1‐year period. We use simultaneous recursive trivariate models to estimate the effects of these two inputs on three health and wellbeing outcomes: the EuroQol five‐dimensional (EQ‐5D) score, self‐assessed health and happiness. We reflect the opportunity cost of time and knowledge with employment status and education and find that employment reduces relaxation and education increases exercise. We find that neither exercise nor relaxation affects the EuroQol five‐dimensional score, but exercise increases self‐assessed health and relaxation increases happiness. Our findings show that individuals tailor their self‐management activities to their economic constraints, with effects on different aspects of their utility. Interventions to encourage self‐management should take account of heterogeneous effects and constraints. © 2017 The Authors. Health Economics Published by John Wiley & Sons, Ltd.
Both Baseline and Change in Lower Limb Muscle Strength in Younger Women Are Independent Predictors of Balance in Middle Age: A 12‐Year Population‐Based Prospective Study
Authors: Wu Feitong , Callisaya Michele , Wills Karen , Laslett Laura L , Jones Graeme , Winzenberg Tania 
Published: March 2017

ABSTRACTPoor balance is a risk factor for falls and fracture in older adults, but little is known about modifiable factors affecting balance in younger women. This study aimed to examine whether lower limb muscle strength (LMS) in young women and changes in LMS are independent predictors of balance in middle age. This was an observational 10‐year follow‐up of 470 women aged 25 to 44 years at baseline who had previously participated in a 2‐year population‐based randomized controlled trial of osteoporosis education interventions. Linear regression was used to examine the association between baseline LMS (by dynamometer) and change in LMS over 12 years with balance at 12 years (timed up and go test [TUG], step test [ST], functional reach test [FRT], and lateral reach test [LRT]). LMS declined by a mean of 17.3 kg over 12 years. After adjustment for potential confounders, baseline and change in LMS were independently beneficially associated with TUG (β = –0.008 sec/kg, 95% confidence interval [CI] –0.01 to –0.006, and β = –0.006 sec/kg, 95% CI –0.009 to –0.003 for baseline and change, respectively), FRT (β = 0.057 cm/kg, 95% CI 0.030 to 0.084, and β = 0.071 cm/kg, 95% CI 0.042 to 0.101, respectively), and LRT (β = 0.030 cm/kg, 95% CI 0.012 to 0.049, and β = 0.022 cm/kg, 95% CI 0.002 to 0.043, respectively) 12 years later. There was an association between baseline LMS and ST (β = 0.044 steps/kg, 95% CI 0.022 to 0.067) but not between change in LMS and ST. Among young women, greater LMS at baseline and slower decline over time are both associated with better balance in midlife. Analogous to the contributions of peak bone mass and bone loss to fracture risk in older adults, this suggests that both improvement of muscle strength in younger age and prevention of age‐related loss of muscle strength could be potentially useful strategies to improve balance and reduce falls in later life. © 2017 American Society for Bone and Mineral Research.