bluuebunny/crossref_metadata_2025_split huggingface dataset:
Current state of bioethanol fuel blends in Mexico
Authors: Galicia‐Medina Cynthia M. , Barrios‐Estrada Carlos , Esquivel‐Hernández Diego A. , de Jesús Rostro‐Alanís Magdalena , Torres J. Antonio , Parra‐Saldívar Roberto 
Published: December 2017

AbstractEnvironmental damage concerns combined with low levels of domestic gasoline production and high import amounts makes it imperative for Mexico to seek renewable biofuel sources. This paper focuses on bioethanol research at public and private research centers, the regulatory framework and potential of second‐generation bioethanol production, current and failed bioethanol introduction attempts, and a recent plan for a pilot introduction in three states in Mexico. Second‐generation bioethanol based on agroindustry byproducts is a promising alternative. For example, 218 000 m3of bioethanol could be produced annually from agave bagasse solids exceeding the estimated 123 000 m3needed for the pilot program. However, knowledge gaps, an inadequate regulatory status, an unsuitable indifference price, and lack of government support to establish in Mexico a bioethanol industry have delayed its introduction. Finding solutions to factors preventing the introduction of 6% bioethanol to replace gasoline additives would benefit the environment and initiate Mexico's path to lower its dependence on nonrenewable fuels and gasoline imports. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd
Simultaneous determination of residues of metalaxyl, cyazofamid and a cyazofamid metabolite in tobacco leaves and soil by liquid chromatography with tandem mass spectrometry
Authors: Wu Sizhuo , Yu Weiwei , Sun Caiyuan , Zheng Kunming , Zhang Haizhen , Huang Min , Hu Deyu , Zhang Kankan 
Published: December 2017

AbstractA simple method was developed and validated for the simultaneous determination of metalaxyl, cyazofamid and the cyazofamid metabolite 4‐chloro‐5‐p‐tolylimidazole‐2‐carbonitrile (CCIM) by liquid chromatography with tandem mass spectrometry. The three target compounds were extracted from tobacco and soil with acetonitrile containing 0.1% acetic acid, and the extracts were purified using octadecylsilane. The proposed method showed satisfactory linearity (R2 ≥ 0.9985) for the target compounds. The limits of detection for metalaxyl, cyazofamid and CCIM were 0.006, 0.06 and 0.06 mg/kg in soil and green tobacco leaves and 0.03, 0.3 and 0.3 mg/kg in cured tobacco leaves, respectively. The limits of quantification for metalaxyl, cyazofamid and CCIM were 0.02, 0.2 and 0.2 mg/kg in soil and green tobacco leaves and 0.1, 1 and 1 mg/kg in cured tobacco leaves, respectively. The average recoveries from soil and tobacco were 72.91–98.40% for metalaxyl, 76.73–105.80% for cyazofamid and 74.48–106.45% for CCIM. The relative standard deviation range was 1.23–6.99%. The developed method was successfully applied to analysis of residues of metalaxyl, cyazofamid and CCIM in real soil and tobacco samples. The results indicated that the established method could meet the requirement for the analysis of trace amounts of all three analytes in soil and tobacco.
Characterization of forsythoside A metabolites in rats by a combination of UHPLC‐LTQ‐Orbitrap mass spectrometer with multiple data processing techniques
Authors: Wang Fei , Cao Guang‐shang , Li Yun , Xu Lu‐lu , Wang Zhi‐bin , Liu Ying , Lu Jian‐qiu , Zhang Jia‐yu 
Published: December 2017

AbstractForsythoside A (FTA), the main active constituent isolated from Fructus Forsythiae, has various biological functions including anti‐oxidant, anti‐viral and anti‐microbial activities. However, while research on FTA has been mainly focused on the treatment of diseases on a material basis, FTA metabolites in vivo have not been comprehensively evaluated. Here, a rapid and sensitive method using a UHPLC‐LTQ‐Orbitrap mass spectrometer with multiple data processing techniques including high‐resolution extracted ion chromatograms, multiple mass defect filters and diagnostic product ions was developed for the screening and identification of FTA metabolites in rats. As the result, a total of 43 metabolites were identified in biological samples including 42 metabolites in urine, 22 metabolites in plasma and 15 metabolites in feces. These results demonstrated that FTA underwent a series of in vivo metabolic reactions including methylation, dimethylation, sulfation, glucuronidation, diglucuronidation, cysteine conjugation and their composite reactions. The research enhanced our understanding of FTA metabolism and built a foundation for further toxicity and safety studies.
Using App Inventor for creating apps to support m‐learning experiences: A case study
Authors: Ortega García Antonio , Ruiz‐Martínez Antonio , Valencia‐García Rafael 
Published: December 2017

AbstractWorking with specific m‐learning apps is useful for learning/teaching purposes. However, its development requires advanced knowledge in programming mobile devices. We present a case study that evaluates the usefulness of App Inventor as a visual, blocks platform that allows teachers, without any advanced programming knowledge, to develop customized m‐learning apps.
The Anthelmintic Drug Niclosamide and Its Analogues Activate the Parkinson's Disease Associated Protein Kinase PINK1
Authors: Barini Erica , Miccoli Ageo , Tinarelli Federico , Mulholland Katie , Kadri Hachemi , Khanim Farhat , Stojanovski Laste , Read Kevin D. , Burness Kerry , Blow Julian J. , Mehellou Youcef , Muqit Miratul M. K. 
Published: December 2017

AbstractMutations in PINK1, which impair its catalytic kinase activity, are causal for autosomal recessive early‐onset Parkinson's disease (PD). Various studies have indicated that the activation of PINK1 could be a useful strategy in treating neurodegenerative diseases, such as PD. Herein, it is shown that the anthelmintic drug niclosamide and its analogues are capable of activating PINK1 in cells through the reversible impairment of the mitochondrial membrane potential. With these compounds, for the first time, it is demonstrated that the PINK1 pathway is active and detectable in primary neurons. These findings suggest that niclosamide and its analogues are robust compounds for the study of the PINK1 pathway and may hold promise as a therapeutic strategy in PD and related disorders.
Ligand‐Induced Dimerization of a Truncated Parallel MYC G‐Quadruplex
Authors: Funke Andrea , Karg Beatrice , Dickerhoff Jonathan , Balke Darko , Müller Sabine , Weisz Klaus 
Published: December 2017

AbstractBinding of an indoloquinoline derivative with an aminoalkyl side chain to a truncated sequence from the MYC promoter region was studied through isothermal titration calorimetry (ITC). The targeted MYC3 sequence lacks 3′‐flanking nucleotides and forms a monomeric parallel quadruplex (G4) with a blunt‐ended 3′‐outer tetrad under the solution conditions employed. Analysis of ITC isotherms reveals multiple binding equilibria with the initial formation of a 1:2 ligand/quadruplex complex. Evaluation of electrophoretic mobilities as well as NMR spectral data confirm ligand‐induced dimerization of MYC3 quadruplexes with the ligand sandwiched between the two 3′‐outer tetrads. Additional ligand molecules in excess bind to the 5′‐outer tetrads of the sandwich complex. Such a ligand‐promoted G4 dimerization may be exploited for the controlled assembly or disassembly of G4 aggregates to expand on present quadruplex‐based technologies.
Nitroglycerin and the enduring principles of coronary procedures
Authors: Topaz On 
Published: December 2017

Key Points

The benefits of nitroglycerin are numerous, from ensuring accurate interpretation of diagnostic angiograms to treatment of coronary spasm and support of PCIs in simple or complex lesion types.
The founders of the field were convinced that no coronary arteriography should be considered complete unless a vasodilator is used at some point during the study. This recommendation is valid.
The guidelines should change to include administration of intracoronary nitroglycerin.
Ischemia‐reperfusion injury and ischemic post‐conditioning in acute myocardial infarction: Lost in translation
Authors: Giustino Gennaro , Dangas George D. 
Published: December 2017

Key Points

Ischemic post‐conditioning (IPoC) has been proposed as a strategy to mitigate the risk of ischemia‐reperfusion injury during primary percutaneous coronary intervention (PCI) for ST‐elevation myocardial infarction (STEMI).
In this comprehensive and updated meta‐analysis of randomized controlled trials, IPoC during primary PCI for STEMI had no significant effect on all‐cause mortality, re‐infarction, or new‐onset heart failure compared with no post‐conditioning.
Further strategies need to be prospectively evaluated to improve outcomes in patients with STEMI undergoing primary PCI.
The first antenatal diagnosis of KBG syndrome: a microdeletion at chromosome 16q24.2q24.3 containing multiple genes including ANKRD11 associated with the disorder
Authors: Hodgetts Morton Victoria , Quinlan‐Jones Elizabeth , Butts Natasha , Williams Denise , Hamilton Sue , Marton Tamas , Morris Katie 
Published: December 2017

Key Clinical MessageThe loss of ANKRD11 gene confirms the diagnosis of KBG syndrome but does not elucidate the pediatric phenotype providing a counseling challenge. With the expansion of prenatal diagnosis, and the potential to perform whole‐exome sequencing antenatally, we must describe the genetic abnormalities, antenatal ultrasound findings, and phenotype concurrently to facilitate counseling.
Understanding the Heterogeneous Electrocatalytic Reduction of Carbon Dioxide on Oxide‐Derived Catalysts
Authors: Pander James E. , Ren Dan , Huang Yun , Loo Nicholas Wei Xian , Hong Samantha Hui Lee , Yeo Boon Siang 
Published: December 2017

AbstractGlobal climate change and energy concerns have led to a surge of interest in the electrochemical conversion of carbon dioxide (CO2) to fuels such as methane and ethanol. Metals such as copper, tin, gold, and others have proven effective as catalysts for reducing CO2 to a wide spectrum of products. Interestingly, it has recently been shown that oxidizing some of these metals further enhances their catalytic activities and selectivities. Oxidation seems to play a fundamental, but poorly understood, role in modulating the reactivity of these catalysts. In this Review, recent progress towards understanding the effect of oxygen, surface morphologies, and local pH gradients on the catalysis of CO2 reduction is discussed.
Ex Situ Evidence for the Role of a Fluoride‐Rich Layer Switching the Growth of Nanopores to Nanotubes: A Missing Piece of the Anodizing Puzzle
Authors: Shahzad Khurram , Kowalski Damian , Zhu Chunyu , Aoki Yoshitaka , Habazaki Hiroki 
Published: December 2017

AbstractAnodizing involves a high‐voltage electrochemical conversion process that forms barrier‐type oxide layers or self‐organized nanoporous/nanotubular structures. So far, Al2O3‐like nanopores and TiO2‐like nanotubes could be successfully synthesized on many metals and alloys. The proposed models of anodic oxide nanotubes growth, however, sacrifice from lack of evidence of the transition from nanopores to nanotubes. The present study demonstrates a missing piece of this anodizing puzzle, which is responsible for the formation of nanotubes in fluoride‐containing organic electrolytes. For this purpose, we choose an anodic oxide formed on iron, as a model case, because both nanotubes and nanopores can be formed and slow kinetics of transition between those two forms allows us to observe, ex situ, a fluoride‐rich‐layer upon nanopores/nanotubes transition. The compositional fingerprints of this transition shed a light on the general mechanism of nanotubes growth in fluoride‐containing electrolytes.
Enhancing Van der Waals Interactions of Functionalized UiO‐66 with Non‐polar Adsorbates: The Unique Effect of para Hydroxyl Groups
Authors: Tovar Trenton M. , Iordanov Ivan , Sava Gallis Dorina F. , DeCoste Jared B. 
Published: December 2017

AbstractUiO‐66 is a highly stable metal‐organic framework (MOF) that has garnered interest for many adsorption applications. For small, nonpolar adsorbates, physisorption is dominated by weak Van der Waals interactions limiting the adsorption capacity. A common strategy to enhance the adsorption properties of isoreticular MOFs, such as UiO‐66, is to add functional groups to the organic linker. Low and high pressure O2 isotherms were measured on UiO‐66 MOFs functionalized with electron donating and withdrawing groups. It was found that the electron donating effects of ‐NH2, ‐OH, and ‐OCF3 groups enhance the uptake of O2. Interestingly, a significant enhancement in both the binding energy and adsorption capacity of O2 was observed for UiO‐66‐(OH)2‐p, which has two ‐OH groups para from one another. Density functional theory (DFT) simulations were used to calculate the binding energy of oxygen to each MOF, which trended with the adsorption capacity and agreed well with the heats of adsorption calculated from the Toth model fit to multi‐temperature isotherms. DFT simulations also determined the highest energy binding site to be on top of the electron π‐cloud of the aromatic ring of the ligand, with a direct trend of the binding energy with low pressure adsorption capacity. Uniquely, DFT found that oxygen molecules adsorbed to UiO‐66‐(OH)2‐p prefer to align parallel to the ‐OH groups on the aromatic ring. Similar effects for the electron donation of the functional groups were observed for the low pressure adsorption of N2, CH4, and CO2.
Silver(I)‐Mediated Base Pairs in DNA Sequences Containing 7‐Deazaguanine/Cytosine: towards DNA with Entirely Metallated Watson–Crick Base Pairs
Authors: Méndez‐Arriaga José M. , Maldonado Carmen R. , Dobado José A. , Galindo Miguel A. 
Published: December 2017

AbstractDNA sequences comprising noncanonical 7‐deazaguanine (7CG) and canonical cytosine (C) are capable of forming Watson–Crick base pairs via hydrogen bonds as well as silver(I)‐mediated base pairs by coordination to central silver(I) ions. Duplexes I and II containing 7CG and C have been synthesized and characterized. The incorporation of silver(I) ions into these duplexes has been studied by means of temperature‐dependent UV spectroscopy, circular dichroism, and DFT calculations. The results suggest the formation of DNA molecules comprising contiguous metallated 7CG‐AgI‐C Watson–Crick base pairs that preserve the original B‐type conformation. Furthermore, additional studies performed on duplex III indicated that, in the presence of AgI ions, 7CG–C and 7CA–T Watson–Crick base pairs (7CA, 7‐deazadenine; T, thymine) can be converted to metallated 7CG‐AgI‐C and 7CA‐AgI‐T base pairs inside the same DNA molecule whilst maintaining its initial double helix conformation. These findings are very important for the development of customized silver–DNA nanostructures based on a Watson–Crick complementarity pattern.
Boron Nanowheels with Axles Containing Noble Gas Atoms: Viable Noble Gas Bound M©B10−Clusters (M=Nb, Ta)
Authors: Pan Sudip , Kar Susmita , Saha Ranajit , Osorio Edison , Zarate Ximena , Zhao Lili , Merino Gabriel , Chattaraj Pratim K. 
Published: December 2017

AbstractThe viability of noble gas axled boron nanowheels NgnM©B10−(Ng=Ar–Rn; M=Nb, Ta;n=1, 2) is explored by ab initio computations. In the resulting Ng2–M complexes, the Ng‐M‐Ng nanorod passes through the center of the B10−ring, providing them with an inverse sandwich‐like structure. While in the singly Ng bound analogue, the Ng binding enthalpyHbat 298 K ranges from 2.5 to 10.6 kcal mol−1, in doubly Ng bound cases it becomes very low for the Ng2M©B10−→Ng+NgM©B10−dissociation channel, except for the case of Rn, for which the correspondingHbvalues are 3.4 (Nb) and 4.0 kcal mol−1(Ta). For a given Ng, Ta has slightly higher Ng‐binding ability than Nb. The corresponding free‐energy changes indicate that these systems, particularly the Xe and Rn complexes, are good candidates for experimental realization in a low‐temperature matrix. The Ng−M bonds were found to be covalent in nature, as reflected in their large Wiberg bond indices, formation of a 2c–2e σ orbital between Ng and M centers in natural bond orbital and adaptive natural density partitioning (AdNDP) analyses, and the short Ng−M distances. Energy decomposition analysis and a study on the natural orbitals for chemical valence show that the Ng−M contact is supported mainly by the orbital and electrostatic interactions, with almost equal contributions. Although both the Ng→M σ donation and Ng←M π backdonation play roles in the origin of orbital interaction, the former is significantly dominant over the latter. Further, AdNDP analysis indicates that the doubly aromatic character (both σ and π) in MB10−clusters is not perturbed by the interaction with Ng atoms.
Population Pharmacokinetics of Desvenlafaxine: Pharmacokinetics in Korean Versus US Populations
Authors: Nichols Alice I. , Liao Sam , Abbas Richat 
Published: December 2017

AbstractDesvenlafaxine exposure in Korean and US populations was compared using population pharmacokinetic (PK) analysis. Data from a single‐ and multiple‐dose study of desvenlafaxine (50, 100, and 200 mg) in 30 healthy Korean subjects were added to a population PK model previously developed using sparse PK samples from patients with major depressive disorder, including 140 Korean patients, combined with rich PK data from healthy volunteers. The structural PK model was an open 1‐compartment linear disposition model with parallel first‐order and 0‐order inputs. The effects of Korean status on apparent oral clearance (CL/F) and apparent volume of distribution (V/F) were tested against the base model separately. External validation results indicated good agreement between the model predictions and observed desvenlafaxine concentrations for Korean subjects. The geometric mean CL/F and V/F of Korean subjects were 9.1% and 16.7% lower, respectively, than those of US subjects, who had a 20% higher mean body weight. Results for patients with major depressive disorder were similar. There were no meaningful differences for weight‐normalized CL/F and V/F values between Korean and US subjects or patients. The minor differences in CL/F and V/F observed between Korean and US populations appear to be solely due to lower body weights in the Korean population.
A coarse‐grained page cache aware multivariate analytical model for the storage performance of a parallel file system
Authors: Inacio Eduardo C. , Dantas Mario A. R. 
Published: December 2017

SummaryHuge requirements of emerging Big Data applications combined with the performance impairment of current I/O subsystems pose a great challenge on data storage, management, and access performance. In order to design efficient storage systems, a clear understanding about how factors in the I/O path affect the performance of a data‐intensive application is of utmost importance. This paper reports our ongoing research toward addressing this issue, presenting a coarse‐grained page cache aware multivariate analytical model for the performance of write operations in a parallel file system. The proposed model was developed to reflect the performance behavior observed in an extensive experimental effort, in which the impact of 14 parameters in the response time and throughput of the OrangeFS was investigated. More than one million experiments were carried out using four distinct computing infrastructures, providing a detailed performance characterization. Additionally, a thorough evaluation of the proposed model, covering more than 14 000 scenarios, is reported, discussing both qualitative and quantitative aspects. Evaluation results indicate that the model succeeded in representing the behavior of the parallel file system performance, achieving a Mean Absolute Percentage Error of 39.94%.
Integration of Central and Peripheral Regulation of the Circulation during Exercise: Acute and Chronic Adaptations
Authors: Mueller Patrick J. , Clifford Philip S. , Crandall Craig G. , Smith Scott A. , Fadel Paul J. 
Published: December 2017

ABSTRACTPhysical movement lasting any more than a few seconds (e.g., exercise), requires coordination of motor control with concomitant changes in the cardiovascular and respiratory support necessary to respond to the rapid increases in metabolic demand. Without such coordination, delivery of oxygen and removal of waste products become rate limiting and will restrict the duration, speed, and quality of movement. Fortunately, under healthy conditions, the central and peripheral nervous systems contribute importantly to this remarkable level of coordination via complex mechanisms that remain to be fully elucidated. The purposes of this review are to present the current state of knowledge regarding: (i) mechanisms by which the body maintains appropriate perfusion pressure to all organs during acute bouts of exercise, and (ii) alterations occurring in these mechanisms via central nervous system adaptations when exercise is performed or not performed on a regular basis (e.g., physically active versus sedentary lifestyle, respectively). Results from studies performed in humans and laboratory animals provide the reader a well‐rounded knowledge base. They are intended to instill an appreciation of what is known, and not known, about how the brain regulates the cardiovascular system during acute bouts of exercise, and the adaptations that occur when individuals exercise regularly versus when chronically sedentary. Discussion of the latter is intended to provide novel mechanisms for the increased incidence of cardiovascular disease in sedentary individuals versus a reduced incidence in individuals who are regularly active. © 2018 American Physiological Society.Compr Physiol8:103‐151, 2018.
Molecular Regulation of Sprouting Angiogenesis
Authors: Duran Camille L. , Howell David W. , Dave Jui M. , Smith Rebecca L. , Torrie Melanie E. , Essner Jeffrey J. , Bayless Kayla J. 
Published: December 2017

ABSTRACTThe term angiogenesis arose in the 18th century. Several studies over the next 100 years laid the groundwork for initial studies performed by the Folkman laboratory, which were at first met with some opposition. Once overcome, the angiogenesis field has flourished due to studies on tumor angiogenesis and various developmental models that can be genetically manipulated, including mice and zebrafish. In addition, new discoveries have been aided by the ability to isolate primary endothelial cells, which has allowed dissection of various steps within angiogenesis. This review will summarize the molecular events that control angiogenesis downstream of biochemical factors such as growth factors, cytokines, chemokines, hypoxia‐inducible factors (HIFs), and lipids. These and other stimuli have been linked to regulation of junctional molecules and cell surface receptors. In addition, the contribution of cytoskeletal elements and regulatory proteins has revealed an intricate role for mobilization of actin, microtubules, and intermediate filaments in response to cues that activate the endothelium. Activating stimuli also affect various focal adhesion proteins, scaffold proteins, intracellular kinases, and second messengers. Finally, metalloproteinases, which facilitate matrix degradation and the formation of new blood vessels, are discussed, along with our knowledge of crosstalk between the various subclasses of these molecules throughout the text.Compr Physiol8:153‐235, 2018.