bluuebunny/crossref_metadata_2025 huggingface dataset:
Groundwater withdrawal in randomly heterogeneous coastal aquifers
Authors: Siena Martina , Riva Monica
Published: May 2018

Abstract. We analyze the combined effects of aquifer heterogeneity and pumping
operations on seawater intrusion (SWI), a phenomenon which is threatening
coastal aquifers worldwide. Our investigation is set within a probabilistic
framework and relies on a numerical Monte Carlo approach targeting transient
variable-density flow and solute transport in a three-dimensional randomly
heterogeneous porous domain. The geological setting is patterned after the
Argentona river basin, in the Maresme region of Catalonia (Spain). Our
numerical study is concerned with exploring the effects of (a) random
heterogeneity of the domain on SWI in combination with (b) a variety of
groundwater withdrawal schemes. The latter have been designed by varying the
screen location along the vertical direction and the distance of the wellbore
from the coastline and from the location of the freshwater–saltwater mixing
zone which is in place prior to pumping. For each random realization of the
aquifer permeability field and for each pumping scheme, a quantitative
depiction of SWI phenomena is inferred from an original set of metrics
characterizing (a) the inland penetration of the saltwater wedge and (b) the
width of the mixing zone across the whole three-dimensional system. Our
results indicate that the stochastic nature of the system heterogeneity
significantly affects the statistical description of the main features of the
seawater wedge either in the presence or in the absence of pumping, yielding
a general reduction of toe penetration and an increase of the width of the
mixing zone. Simultaneous extraction of fresh and saltwater from two screens
along the same wellbore located, prior to pumping, within the
freshwater–saltwater mixing zone is effective in limiting SWI in the context
of groundwater resources exploitation.
Effect of Performance Management on Employees Well-Being via Perceived Job Control
Authors: Sattar Hooria , Khaliq Lubna , Butt Mattiullah
Published: May 2018

The significant amount of research attention was given to the association among HRM and well-being; but how the attention driving performance management influences well-being and what variables explain their relation has not been well discussed yet. This study investigates the relationship between performance management practices and employees well being when perceived job control is playing the role of mediator. The Present research study addresses this relation in, educating employees working in different sectors in Lahore city as the city recruits employees from different areas of the country (Pakistan). Data was gathered from 250 employees and results show that performance management significantly influences our mediator and well-being and also the mediator (perceived job control) significantly influences the relationship between performance management practices and well-being. For future research purposes, limitations as well as future directions are also discussed in this research.
Trade Unions: Relevant Out of Irrelevant? A Study on Generation’s Perception in Malaysia
Authors: Mohamad Nor Che Supian , Moona Haji Mohamed Ramesh Kumar , Ramendran SPR Charles , Nadarajan Prem Kumar , Kadiresan Vimala
Published: May 2018

Generational differences on workforce in Malaysia have stirred the value of trade unionism. The transition from generation-X to generation-Y has created diverse perceptions on the relevance of being a member of a trade union. In the near future, generation-Y will be the bastion of the Malaysian workforce. They will be a fundamental actor in reshaping the industrial relations ecosystem in Malaysia. In this respect, this study focused on unionized and non-unionized generation-X and Y employee’s perception on the importance of trade unionism in the Malaysian context. Using a qualitative study, face-to-face semi-structured interviews with targeted respondents were conducted. The findings showed that the trade union do bring contributions to employees and protect employees from unfair actions but the density of trade unions declined due to unclear information known about trade unionism among generation Y. Based on the research findings, practical implications are discussed.
The Personal Is Political: Performing Saint Joan in the Twenty-First Century
Authors: Russell Susan Frances
Published: May 2018

Contemporary theater makers aiming to present feminist-inflected interpretation of Shaw's Saint Joan could benefit from the practice of intertextuality: examining feminist playwrights' versions of Joan's story. Two plays by contemporary writers, Carolyn Gage's The Second Coming of Joan of Arc and Martha Kemper's Me, Miss Krause and Joan can illuminate the most pressing contemporary issues, highlighting the ways that Shaw's version overlaps with current feminist concerns, including intersectionality, positionality, and sexual assault. Such a process would empower performers and audience members alike, and would help playwrights, directors, and dramaturgs avoid some of the pitfalls exhibited in the recent rock musical Joan of Arc: Into the Fire. Also, since audiences in the United States and Canada are increasingly female-dominated and plays by women often make more money, such strategies not only could engender more culturally sensitive productions but also possibly even result in a higher box office return.
Medios de comunicación alternativos: rasgos, logros, obstáculos y retos
Authors: Ayala Ramírez Carlos
Published: May 2018

No abstract availableRealidad: Revista de Ciencias Sociales y Humanidades No. 49, 1996: 119-134
Performance of Stock and Treasury Bills under Inflation and Floating: Evidence from Egypt
Authors: Wagdi Osama , Tarek Yasmin , Edres Nihad
Published: May 2018

The aim of this study is comparing the performance of common stock & treasury bills, according to the central bank of Egypt and their monetary policy during the time period between “1994-2017”, using descriptive & inferential statistical methods. The Study concluded that there is a strong positive relationship between inflation rate & returns of Egyptian treasury bills, as the same relation as with floating Egyptian pound.in addition, the study found the impact of Inflation and Floating on the return of Egyptian T-bills, but don’t found this impact on the return of Egyptian common stock. Finally, the study founds the same average return but a different at variances of this return & the Coefficient of variation.
Healthcare Data Mining: Predicting Hospital Length of Stay of Dengue Patients
Authors: Wiratmadja Iwan Inrawan , Salamah Siti Yaumi , Govindaraju Rajesri
Published: May 2018

Dengue is regarded as the most important mosquito-borne viral disease. Recently dengue has emerged as a public health burden in Southeast Asia and other tropical countries. At times when dengue re-emerges as an epidemic, hospitals are required to be able to handle patient flow fluctuation while maintaining their performance. This research applied a data mining technique to build a model that can predict in-patient hospital length of stay from the time of admission, which can be useful for effective decision-making that may lead to better clinical and resource management in hospitals. Using the C4.5 algorithm and a decision tree classifier, an accuracy of 71.57% and an area under the receiver operating characteristic (ROC) curve value of 0.761 were obtained. The decision tree showed that only 7 out of 21 input attributes affect the hospital length of stay prediction of dengue patients. The attribute with the highest impact was monocytes, followed by diastolic blood pressure, hematocrit, leucocytes, systolic blood pressure, comorbidity score, and lymphocytes. In this research also a prototype of a prediction system using the resulting model was developed.
What Is the Proper Content of a Course in Professional Ethics?
Authors: Hartner Daniel F. ,   Philosophy Documentation Center
Published: May 2018

What is the proper content of a course in professional ethics, such as business ethics, engineering ethics, or medical ethics? Though courses in professional ethics have been present in colleges and universities for decades, the question remains largely unsettled, even among philosophers. This state of affairs helps to sustain and even exacerbate public misconceptions about ethics and professional ethical training in higher education. I argue that the proper content of such courses remains a potential source of confusion because the term ‘ethics’ is ambiguous between philosophical and nonphilosophical forms of normative inquiry into behavior, where the former involves broad, context-sensitive reflection on moral obligation, and the latter involves the narrower analysis and codification of behavioral norms with less sensitivity to context. Failure to distinguish between these two senses of ethics can result in conflicting conceptions of and expectations for training and courses in professional ethics. I sketch some of the specific problems generated by the ambiguity. I conclude by proposing an initial step toward a solution, one which focuses on making more explicit the distinction between courses that aim to teach professional policy and “best practices” and those that encourage genuine philosophical inquiry into morality and the good life.
Satisfaction of sports services users in Orihuela (Alicante)
Authors: García Mayor J. , Vegara Ferri J. M. , López Sánchez G. F. , Díaz Suárez A.
Published: May 2018

El objetivo del presente estudio ha sido evaluar la calidad percibida y satisfacción de usuarios de la instalación deportiva municipal del "Palacio del Agua" en la localidad alicantina de Orihuela. La muestra estuvo formada por 36 usuarios de dicha instalación. Se aplicó el cuestionario EPOD (Escala de Percepción de Organizaciones Deportivas), de Nuviala, Tamayo, Iranzo y Falcón (2008), el cual mide la satisfacción de usuarios de organizaciones que prestan servicios deportivos. Los resultados más significativos muestran que los usuarios están satisfechos con la instalación deportiva, obteniendo los mejores resultados en los apartados de imagen de la organización, actividades y aspectos técnicos. Sin embargo, se denotan puntuaciones más bajas en el apartado de instalación y material. Por todo ello, se concluye que, como futuras implicaciones en la gestión de la instalación, se debería focalizar la atención en las dimensiones relacionadas con la instalación y el material, ya que obtienen las puntuaciones más bajas.
Diagnostic accuracy of Onen’s Alternative Grading System combined with Doppler evaluation of ureteral jets as an alternative in the diagnosis of obstructive hydronephrosis in children
Authors: de Bessa Jr Jose , Rodrigues Cicilia M. , Chammas Maria Cristina , Miranda Eduardo P. , Gomes Cristiano M. , Moscardi Paulo R. , Bessa Marcia C. , Molina Carlos A. , Tiraboschi Ricardo B. , Netto Jose M. , Denes Francisco T.
Published: May 2018

Introduction

Ureteropelvic junction obstruction (UPJO) is a common congenital anomaly leading to varying degrees of hydronephrosis (HN), ranging from no apparent effect on the renal function to atrophy. Evaluation of these children is based on Diuretic Renal Scintigraphy (DRS) and Ultrasonography (US). Recent studies have suggested that new parameters of conventional and color Doppler ultrasonography (CDUS) may be useful in discriminating which kidneys are obstructed. The present study aims to assess the diagnostic accuracy of such parameters in the diagnosis of obstruction in children with UPJO.

Methods

We evaluated 44 patients (33 boys) with a mean age of 6.53 ± 4.39 years diagnosed with unilateral high-grade hydronephrosis (SFU grades 3 and 4). All underwent DRS and index tests (conventional US and CDUS to evaluate ureteral jets frequency) within a maximum interval of two weeks. Hydronephrotic units were reclassified according to the alternative grading system (AGS) proposed by Onen et al. Obstruction in the DRS was defined as a differential renal function <40% on the affected side and/or features indicating poor drainage function like T1/2 >20 minutes after the administration of furosemide, and a plateau or ascending pattern of the excretion curve.

Results

Nineteen hydronephrotic units (43.1%) were obstructed. Some degree of cortical atrophy—grades 3 (segmental) or 4 (diffuse)—was present in those obstructed units. AGS grades had 100% sensitivity, 76% of specificity and 86.4% of accuracy. The absence of ureteral jets had a sensitivity of 73.68%, a specificity of 100% with an accuracy of 88.6%. When we analyzed the two aspects together and considered obstructed the renal units classified as AGS grade 3 or 4 with no jets, sensitivity increased to 78.9%, accuracy to 92%, remaining with a maximum specificity of 100%. These features combined would allow us to avoid performing DRS in 61% of our patients, leaving more invasive tests to inconclusive cases.

Conclusions

Although DRS remains the mainstay to distinguishing obstructive from non-obstructive kidneys, grade of hydronephrosis and frequency of ureteral jets, independently or in combination may be a reliable alternative in the mostly cases.This alternative approach has high accuracy, it is less invasive, easily reproducible and may play a role in the diagnosis of obstruction in pediatric population.
Helicobacter pylorigenetic diversification in the Mongolian gerbil model
Authors: Beckett Amber C. , Loh John T. , Chopra Abha , Leary Shay , Lin Aung Soe , McDonnell Wyatt J. , Dixon Beverly R.E.A. , Noto Jennifer M. , Israel Dawn A. , Peek Jr Richard M. , Mallal Simon , Algood Holly M. Scott , Cover Timothy L.
Published: May 2018

Helicobacter pylorirequires genetic agility to infect new hosts and establish long-term colonization of changing gastric environments. In this study, we analyzedH. pylorigenetic adaptation in the Mongolian gerbil model. This model is of particular interest becauseH. pylori-infected gerbils develop a high level of gastric inflammation and often develop gastric adenocarcinoma or gastric ulceration. We analyzed the whole genome sequences ofH. pyloristrains cultured from experimentally infected gerbils, in comparison to the genome sequence of the input strain. The mean annualized single nucleotide polymorphism (SNP) rate per site was 1.5e−5, which is similar to the rates detected previously inH. pylori-infected humans. Many of the mutations occurred within or upstream of genes associated with iron-related functions (fur,tonB1,fecA2,fecA3, andfrpB3) or encoding outer membrane proteins (alpA, oipA, fecA2, fecA3, frpB3andcagY). Most of the SNPs within coding regions (86%) were non-synonymous mutations. Several deletion or insertion mutations led to disruption of open reading frames, suggesting that the corresponding gene products are not required or are deleterious during chronicH. pyloricolonization of the gerbil stomach. Five variants (three SNPs and two deletions) were detected in isolates from multiple animals, which suggests that these mutations conferred a selective advantage. One of the mutations (FurR88H) detected in isolates from multiple animals was previously shown to confer increased resistance to oxidative stress, and we now show that this SNP also confers a survival advantage whenH. pyloriis co-cultured with neutrophils. Collectively, these analyses allow the identification of mutations that are positively selected duringH. pyloricolonization of the gerbil model.
A quantitative approach to determine the taxonomic identity and ontogeny of the pycnodontiform fishPycnodus(Neopterygii, Actinopterygii) from the Eocene of Bolca Lagerstätte, Italy
Authors: Cawley John Joseph , Marramà Giuseppe , Carnevale Giorgio , Kriwet Jürgen
Published: May 2018

Background

The pycnodontiform fishPycnodusis one of the representatives of the highly diverse actinopterygian fish fauna from the early Eocene Bolca Lagerstätte, representing one of the youngest and thus last occurrences of this extinct neopterygian clade. This genus has historically been used as a wastebasket taxon in regards to poorly known pycnodontiform fossils. Authors have argued over the specific status of the Bolca LagerstättePycnodusin terms of how many species are contained within the genus with some arguing for multiple species and others suggesting lumping all Bolca specimens together into one species.

Methods

Here, we use a quantitative approach performing biometric and geometric morphometric analyses on 52 specimens ofPycnodusin order to determine if the morphological variability within the sample might be related to inter- or intraspecific variation.

Results

The analyses revealed that the variations of body shape, morphometric and meristic characters cannot be used to distinguish different morphotypes. On the contrary, our results show a remarkable link between shape and size, related to ontogeny.

Discussion

Differences in body shape of small (juvenile) and large (adult) individuals is probably related to different microhabitats occupation on the Bolca reef with juveniles sheltering within crevices on the reef and adults being more powerful swimmers that swim above the coral. Taxonomically, we suggest that the BolcaPycnodusshould be referred to strictly asPycnodus apodusas this was the name given to the holotype. Additionally, an overview of species assigned toPycnodusis given.
Queixa vocal e análise perceptivo-auditiva de pacientes com doença de Parkinson.
Authors: Gasparini Gisele , Diaféria Giovana , Behlau Mara
Published: May 2018

A doença de Parkinson (DP) é uma alteração degenerativa do sistema nervoso central caracterizada por perda progressiva dos neurônios da substância negra. Além dos sintomas primários (rigidez, tremor e bradicinesia), alterações de voz, fala e deglutição também podem estar presentes na DP. O objetivo do presente estudo foi realizar o levantamento da queixa vocal, análise perceptivo-auditiva por meio da escala GIRBAS e do ataque vocal. Participaram 118 pacientes, 74 do gênero masculino e 44 do feminino, que buscaram atendimento na Associação Brasil-Parkinson, no Serviço de Fonoaudiologia, em 2001. Voz fraca foi a queixa mais encontrada, as alterações vocais de grau moderado e ataque vocal isocrônico. Tais achados sugerem que os pacientes parkinsonianos que procuram tratamento apresentam disfonia moderada, caracterizada principalmente por astenia e instabilidade. A utilização de diferentes tarefas de fala é necessária para uma melhor caracterização da alteração vocal.
Inquérito soroepidemiológico de dengue em dois municípios do estado do Acre, fronteira Brasil - Bolívia
Authors: Guimarães Maria Helena , Vasconcelos Pedro Fernando da Costa , Nunes Márcio Roberto Teixeira , Rodrigues Sueli Guerreiro , Tanajura Davi , Tavares-Neto José , Damasceno Edilândio
Published: May 2018

Amostras séricas de 320 pessoas das cidades de Brasiléia e Epitaciolândia, fronteira Brasil (Acre)-Bolívia, foram testadas, pelos métodos de IgM-ELISA e IgG-ELISA, em período posterior as epidemias de dengue ocorridas em 2000 pelos sorotipos DEN-1 e DEN-2. A prevalência de portadores de anticorpos IgM foi de 60,3% e 67,2% de IgG e somente 15,0% foram co-soronegativos. A soropositividade foi mais freqüente entre indivíduos do sexo masculino (70% IgM; 78,2% IgG) e nas faixas etárias mais avançadas (p < 0,0005). Entre as pessoas sem história de dengue anterior, 62,2% e 66,7%, respectivamente, foram IgM e IgG positivos. A estimativa de subnotificação da infecção foi de 65% em Brasiléia, e 69,9% em Epitaciolândia. Em conclusão, a elevada prevalência de infecção prévia e as características regionais facilitam a introdução de novos sorotipos do vírus da dengue, o que coloca a população daquelas cidades sob risco de ocorrência de casos de dengue hemorrágico.
Educação à distância e práticas cirúrgicas: reflexões e desafios
Authors: Schanaider Alberto , Jamel Nelson
Published: May 2018

Nos últimos anos, a sociedade tem se deparado com uma expansão exponencial dos cursos à distância (de graduação, pós-graduação lato ou stricto sensu, ou seqüencial) em instituições de natureza jurídica variada (públicas, privadas, confessionais ou comunitárias). De fato, o Ministério da Educação, mediante a promulgação da Lei de Diretrizes e Bases da Educação (LDB), estimulou o desenvolvimento dessa modalidade de ensino. Entretanto, é preciso compreender que existem desafios a serem superados, em especial quando se propõe essa inovação na área cirúrgica.
Template‐Assisted Electroforming of Fully Semi‐Hard‐Magnetic Helical Microactuators
Authors: Chatzipirpiridis George , de Marco Carmela , Pellicer Eva , Ergeneman Olgaç , Sort Jordi , Nelson Bradley J. , Pané Salvador
Published: May 2018

The authors report on the fabrication of semi‐hard‐magnetic microhelices using template‐assisted electroforming. The method consists of electrodepositing a material on a sacrificial mandrel on which a pattern has been previously written. To electroform the helical microswimmers, a helical template on a polymer‐coated metallic mandrel is created using a laser, which precisely ablates the polymer coating and exposes the mandrel surface. Subsequently, the semi‐hard‐magnetic material is electrodeposited in the trenches produced by the laser. In this investigation, the helical structures are obtained from an electrolyte, which enables the production of hard‐magnetic CoPt alloys. The authors also show that electroformed semi‐hard‐magnetic helical microswimmers can propel in viscous environments such as silicon oil in three dimensions and against gravity. Their manufacturing approach can be used for the fabrication of more complex architectures for a wide range of applications and can be potentially extended to any electroplatable material.
Smart Liquid Transport on Dual Biomimetic Surface via Temperature Fluctuation Control
Authors: Li Chuxin , Yu Cunlong , Hao Dezhao , Wu Lei , Dong Zhichao , Jiang Lei
Published: May 2018

Microdevices that manipulate fluids to transport in a predefined direction and to switch flow directions under temperature stimuli are fundamental to the intelligent control of biomedical devices, thermal managements, lab‐on‐a‐chip, etc. Despite current advances in controlling drop transport, the amplitude of liquid motion is still limited with a low speed, and the flow direction is not well controlled because of the pinning of contact lines on surface defects. Learning from nature, here, two bioinspired principles derived from the peristome surface of the pitcher plant and the beak of the shorebird are fused into a composite, and a peristome–beak mimetic surface is fabricated with flow direction switching between uni‐ and bidirections under temperature fluctuations. Significantly, deposited water can intelligently find the transport path by itself on temperature‐patterned surface. This smart peristome–beak mimetic surface would extend the bioinspired design with multi‐integrations and find use in medical, microfluidic, and heat‐transfer systems.
Optimized Fibril Network Morphology by Precise Side‐Chain Engineering to Achieve High‐Performance Bulk‐Heterojunction Organic Solar Cells
Authors: Liu Tao , Huo Lijun , Chandrabose Sreelakshmi , Chen Kai , Han Guangchao , Qi Feng , Meng Xiangyi , Xie Dongjun , Ma Wei , Yi Yuanping , Hodgkiss Justin M. , Liu Feng , Wang Jing , Yang Chuluo , Sun Yanming
Published: May 2018

A polymer fibril assembly can dictate the morphology framework, in forming a network structure, which is highly advantageous in bulk heterojunction (BHJ) organic solar cells (OSCs). A fundamental understanding of how to manipulate such a fibril assembly and its influence on the BHJ morphology and device performance is crucially important. Here, a series of donor–acceptor polymers, PBT1‐O, PBT1‐S, and PBT1‐C, is used to systematically investigate the relationship between molecular structure, morphology, and photovoltaic performance. The subtle atom change in side chains is found to have profound effect on regulating electronic structure and self‐assembly of conjugated polymers. Compared with PBT1‐O and PBT1‐S, PBT1‐C‐based OSCs show much higher photovoltaic performance with a record fill factor (FF) of 80.5%, due to the formation of optimal interpenetrating network morphology. Such a fibril network strategy is further extended to nonfullerene OSCs using a small‐molecular acceptor, which shows a high efficiency of 12.7% and an FF of 78.5%. The results indicate the formation of well‐defined fibrillar structure is a promising approach to achieving a favorable morphology in BHJ OSCs.
Interface Engineering of Carbon‐Based Nanocomposites for Advanced Electrochemical Energy Storage
Authors: Liang Yeru , Zhang Weicai , Wu Dingcai , Ni Qing‐Qing , Zhang Ming Qiu
Published: May 2018

Carbon‐based nanocomposites represent a fascinating class of materials, as they always demonstrate synergistic effects for energy storage applications when compared to their singular components. It has been found that interface engineering of carbon‐based nanocomposites, including structural design, synthesis, processing, and characterization of well‐defined interface between carbon and noncarbon materials, holds huge potential for enabling unprecedented electrochemical properties and fundamental breakthroughs. Accordingly, a review focusing on the research progress in this area is prepared on the basis of systematic analysis of literature in the following for academia and industries. Here, the interactions at the interface of nanocomposite structures that lead to significant synergistic effects and superior electrochemical performance are presented and highlighted. First, the efforts that have been made on preparation methodologies of carbon‐based nanocomposites, including noncovalent and covalent approaches, are comprehensively outlined. Then, particular attention is placed on the effects of the interface engineering on the electrochemical performance of different kinds of electrode materials applied in supercapacitors, lithium‐ion batteries, and lithium–sulfur batteries. Finally, the challenges that still persist and the prospects of further development of advanced carbon‐based nanocomposite electrode materials by manipulating interfacial interaction are discussed.
Controlling Dual Molecular Pumps Electrochemically
Authors: Pezzato Cristian , Nguyen Minh T. , Kim Dong Jun , Anamimoghadam Ommid , Mosca Lorenzo , Stoddart J. Fraser
Published: May 2018

Artificial molecular machines can be operated using either physical or chemical inputs. Light‐powered motors display clean and autonomous operations, whereas chemically driven machines generate waste products and are intermittent in their motions. Herein, we show that controlled changes in applied electrochemical potentials can drive the operation of artificial molecular pumps in a semi‐autonomous manner—that is, without the need for consecutive additions of chemical fuel(s). The electroanalytical approach described in this Communication promotes the assembly of cyclobis(paraquat‐p‐phenylene) rings along a positively charged oligomeric chain, providing easy access to the formation of multiple mechanical bonds by means of a controlled supply of electricity.
Flexible and Hierarchical Metal–Organic Framework Composites for High‐Performance Catalysis
Authors: Huang Ning , Drake Hannah , Li Jialuo , Pang Jiandong , Wang Ying , Yuan Shuai , Wang Qi , Cai Peiyu , Qin Junsheng , Zhou Hong‐Cai
Published: May 2018

The development of porous composite materials is of great significance for their potentially improved performance over those of individual components and extensive applications in separation, energy storage, and heterogeneous catalysis. Now mesoporous metal–organic frameworks (MOFs) with macroporous melamine foam (MF) have been integrated using a one‐pot process, generating a series of MOF/MF composite materials with preserved crystallinity, hierarchical porosity, and increased stability over that of melamine foam. The MOF nanocrystals were threaded by the melamine foam networks, resembling a ball‐and‐stick model overall. The resulting MOF/MF composite materials were employed as an effective heterogeneous catalyst for the epoxidation of cholesteryl esters. Combining the advantages of interpenetrative mesoporous and macroporous structures, the MOF/melamine foam composite has higher dispersibility and more accessibility of catalytic sites, exhibiting excellent catalytic performance.
Storage of CO2 into Porous Coordination Polymer Controlled by Molecular Rotor Dynamics
Authors: Inukai Munehiro , Tamura Masanori , Horike Satoshi , Higuchi Masakazu , Kitagawa Susumu , Nakamura Koichi
Published: May 2018

Design to store gas molecules, such as CO2, H2, and CH4, under low pressure is one of the most important challenges in chemistry and materials science. Herein, we describe the storage of CO2 in the cavities of a porous coordination polymer (PCP) using molecular rotor dynamics. Owing to the narrow pore windows of PCP, CO2 was not adsorbed at 195 K. As the temperature increased, the rotors exhibited rotational modes; such rotations dynamically expanded the size of the windows, leading to CO2 adsorption. The rotational frequencies of the rotors (k≈10−6 s) and correlation times of adsorbed CO2 (τ≈10−8 s) were elucidated via solid‐state NMR studies, which suggest that the slow rotation of the rotors sterically restricts CO2 diffusion in the pores. This restriction results in an unusually slow CO2 mobility close to solid state (τ≥10−8 s). Once adsorbed at room temperature, CO2 is robustly stored in the PCP under vacuum at 195–233 K because of the steric hindrance of the rotors. We also demonstrate that this mechanism can be applied to the storage of CH4.
Transition metal complexes of a hydrazone–oxime ligand containing the isonicotinoyl moiety: Synthesis, characterization and microbicide activities
Authors: Shakdofa Mohamad M.E. , El‐Saied Fathy A. , Rasras Anas J. , Al‐Hakimi Ahmed N.
Published: May 2018

Complexes of VO2+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+, Ru3+ and UO22+ with (3‐(hydroxyimino)butan‐2‐ylidene)isonicotinohydrazide were synthesized and characterized using physical and spectral methods. Analytical data revealed that the complexes formed in 1:1 or 1:2 metal–ligand ratios. Spectral studies showed that the ligand bonded to the metal ion in neutral tridentate, monobasic tridentate or monobasic bidentate fashion through azomethine nitrogen atom, protonated/deprotonated imine oxime group and/or ketonic/enolic carbonyl group. From the electronic spectral data together with magnetic susceptibility values a square planar, tetrahedral or distorted octahedral structure can be proposed for all complexes. Electron spin resonance spectra for Cu2+ complexes (2–4) revealed axial symmetry with g|| > g⊥ > ge, indicating distorted octahedral or square planar structures and the unpaired electron exists in a
orbital with marked covalent bond feature. The prepared complexes showed good to excellent biological activity, and the most active complexes against Aspergillus niger were 4 and 9 with zone of inhibition of 25 and 23 mm, respectively. Complexes 10 and 11 showed interesting activity against Escherichia coli with zone of inhibition of 44 and 32 mm, respectively.
Preparation of disk‐like Pt/CeO2‐p‐TiO2 catalyst derived from MIL‐125(Ti) for excellent catalytic performance
Authors: Yuan Shenhao , Gao Yan , Bao Jiehua , Zhang Yiwei , Chen Wenxia , Fang Jiasheng , Zhou Yuming , Wang Yanyun , Zhu Wenyu
Published: May 2018

A feasible strategy is reported for the synthesis of a disk‐like Pt/CeO2‐p‐TiO2 catalyst derived from the titanium‐based metal–organic framework (MOF) MIL‐125(Ti) through a few valid steps. To verify the successful synthesis and structural features of the Pt/CeO2‐p‐TiO2 catalyst, as‐prepared samples were characterized using several techniques. The characterizations demonstrated that MOF‐derived porous TiO2 was appropriate for application as a support owing to its moderate surface area (101 m2 g−1) and suitable pore size (6 nm). Moreover, to study the effect of calcination temperature on the catalytic performance, the obtained catalyst was calcined at various temperatures. It was found that Pt/CeO2‐p‐TiO2 calcined at 550 °C exhibited the highest catalytic performance, evaluated by means of the reduction of 4‐nitrophenol monitored by UV–visible spectra. Furthermore, this catalyst showed good reusability with a conversion of 94% even after six cycles. Finally, a possible reaction mechanism was proposed to explain the reduction of 4‐nitrophenol to 4‐aminophenol over the Pt/CeO2‐p‐TiO2 catalyst.
In‐text function of author self‐citations: Implications for research evaluation practice
Authors: Zhao Dangzhi , Strotmann Andreas , Cappello Alicia
Published: May 2018

Author self‐citations were examined as to their function, frequency, and location in the full text of research articles and compared with external citations. Function analysis was based on manual coding of a small dataset in the field of library and information studies, whereas the analyses by frequency and location used both this small dataset and a large dataset from PubMed Central. Strong evidence was found that self‐citations appear more likely to serve as substantial citations in a text than do external citations. This finding challenges previous studies that assumed that self‐citations should be discounted or even removed and suggests that self‐citations should be given more weight in citation analysis, if anything.
A Photoactivatable α5β1‐Specific Integrin Ligand
Authors: Nair Roshna V. , Farrukh Aleeza , del Campo Aránzazu
Published: May 2018

The integrin α5β1 is overexpressed in colon, breast, ovarian, lung and brain tumours, and has been identified as key component in mechanosensing. In order to study how dynamic changes in α5β1 engagement affect cellular behaviour, photoactivatable derivatives of α5β1‐specific ligands are presented in this article. A photoremovable protecting group (PRPG) was introduced into the ligand structure at a relevant position for integrin recognition. The presence of the chromophore temporarily inhibited ligand bioactivity. Light exposure at a cell‐compatible dose efficiently cleaved the protecting group and restored functionality. The photoactive ligand had an azide end‐functional group for covalent immobilisation onto biomaterials by click chemistry. Selective cell responses (attachment, spreading, migration) to the activated ligand on the surface are achieved by controlled exposure to light, at similar levels to the native ligand. Spatial and temporal control of the cellular response is demonstrated, including the possibility of in situ activation. Photoactivatable integrin‐selective ligands in model microenvironments will allow the study of cellular behaviour in response to changes in the activation of individual integrins as consequence of dynamic variations in matrix composition.
High‐contention mutual exclusion by elevator algorithms
Authors: Buhr Peter A. , Dice David , Hesselink Wim H.
Published: May 2018

This paper presents new starvation‐free hardware‐assisted and software‐only algorithms for the N‐thread mutual‐exclusion problem. The hardware‐assisted versions use a single atomic‐CAS instruction and no fences. The software‐only algorithms simulate the CAS instruction using a variation of Burns‐Lamport (1 fence) or Lamport's fast algorithm (3 fences). The algorithms are based on Attiya et al, where every thread in the critical section chooses its successor (if one is available). While Attiya et al use a binary tree for this purpose, it can also be done with a linear search. Surprisingly, all software‐only algorithms perform equally well under maximal contention on three different computer architectures; the hardware‐assisted versions perform better under minimal contention. The new algorithms are between −5% to 50% slower for maximal contention than the starvation‐free first‐come first‐served hardware‐assisted MCS algorithm, which uses two atomic instructions (fetch‐store and CAS); they are between 10% to 50% slower than MCS for minimal contention.
Parallelizing Hartley transform with Hadoop for fast detection of glass defects
Authors: Li Maozhen , Zhang Hanyuan , Jin Yong , Wang Zhaoba , Guo Guodong
Published: May 2018

Glass defect detection methods based on grating projection can effectively detect various glass defects. The Fourier transform in general can be used as an online processing method for detecting glass defects based on fringe images. Processing fringe images with Fourier transform needs a large amount of computation as Fourier transform is a complex computation method. In order to reduce the amount of computation, an improved fringe image processing method based on the Hartley transform is proposed in this paper. To further speed up the computation process, the Hartley transform is parallelized with Hadoop, which is a major computing technology in support of data intensive applications. Experimental results show that the parallel Hartley transform significantly reduces computation complexity in detection of glass defects.
Design considerations for GPU‐aware collective communications in MPI
Authors: Faraji Iman , Afsahi Ahmad
Published: May 2018

GPU accelerators have established themselves in the state‐of‐the‐art clusters by offering high performance and energy efficiency. In such systems, efficient inter‐process GPU communication is of paramount importance to application performance. This paper investigates various algorithms in conjunction with the latest GPU features to improve GPU collective operations. First, we propose a GPU Shared Buffer‐aware (GSB) algorithm and a Binomial Tree Based (BTB) algorithm for GPU collectives on single‐GPU nodes. We then propose a hierarchical framework for clusters with multi‐GPU nodes. By studying various combinations of algorithms, we highlight the importance of choosing the right algorithm within each level. The evaluation of our framework on MPI_Allreduce shows promising performance results for large message sizes.

To address the shortcoming for small and medium messages, we present the benefit of using the Hyper‐Q feature and the MPS service in jointly using CUDA IPC and host‐staged copy types to perform multiple inter‐process communications. However, we argue that efficient designs are still required to further harness this potential. Accordingly, we propose a static and a dynamic algorithm for MPI_Allgather and MPI_Allreduce and present their effectiveness on various message sizes. Our profiling results indicate that the achieved performance is mainly rooted in overlapping different copy types.
The Vibrational Circular Dichroism Pattern of the ν(C=O) Bands in Isoindolinones
Authors: Rode Joanna E. , Lyczko Krzysztof , Jawiczuk Magdalena , Kawęcki Robert , Stańczyk Wojciech , Jaglińska Agnieszka , Dobrowolski Jan Cz.
Published: May 2018

The IR and vibrational circular dichroism (VCD) spectra of both enantiomers of Me‐, iPr‐, nBu‐, Ph‐, and CH2Ph‐substituted isoindolinones in solution and KBr pellets were measured and interpreted by DFT calculations. The spectra in solution revealed no important differences in the C=O stretching vibration region while the interpretation of very distinct spectra taken in pellets required determining the crystal structures. The studied compounds crystallized in the P212121 (Me, iPr, CH2Ph), P31 (nBu), and P21 (Ph) space groups. We found that the quality of simulated spectra strongly depends on the substituent, the structure of the molecular cluster assumed, basis set, and use of the dispersion correction. The IR spectra can be reproduced well based on the simplest linear arrangement of hydrogen‐bonded chains mimicking the molecular arrangement in the crystals. We found no common approach to reproduce all the registered VCD spectra in the crystal phase. For the Me and nBu isoindolinones, the VCD pattern was the best reproduced by full optimization of the selected large molecular clusters. For iPr, Ph and CH2Ph derivatives optimizing only the position of H‐atoms in a fragment frozen as in the crystal provides the best results. Such an approach can reduce the computation time from months to one week.
Polybromide Dianions and Networks Stabilized by Fluorinated Bromo(triaryl)phosphonium Cations
Authors: Mann Lisa , Senges Gene , Sonnenberg Karsten , Haller Heike , Riedel Sebastian
Published: May 2018

Triarylphosphanes react with elemental bromine to give triarylbromophosphonium bromides. With an excess of bromine larger polybromides are formed. The influence of the stepwise fluorination of the cation on the formed polybromide anion was investigated. The polybromide dianions and networks [(C6H5)3PBr]2[Br14], [(C6H4F)3PBr]2[Br14], [(C6H4F)3PBr][Br11], [(C6H2F3)3PBr]2[Br16], and [(C6F5)3PBr]2[Br20]·Br2 were obtained and characterized by Raman spectroscopy, single‐crystal X‐ray structure determination and quantum‐chemical calculations at the RI‐B3LYP‐D3/def2‐TZVPP level. Additionally, two further [Br20]2– dianions, [BMDIM][Br20] {BMDIM = 1,12‐bis[(1‐methylbenzimidazolium)‐3‐yl]dodecane} and [AsPh4]2[Br20]·0.5Br2, are presented and compared to all known eicosabromide dianions.
High‐resolution separation of monoclonal antibodies mixtures and their charge variants by an alternative and generic CZE method
Authors: Goyon Alexandre , Francois Yannis Nicolas , Colas Olivier , Beck Alain , Veuthey Jean Luc , Guillarme Davy
Published: May 2018

The determination of mAb critical quality attributes (CQA) is crucial for their successful application in health diseases. A generic CZE method was developed for the high‐resolution separation of various mAb charge variants, which are often recognized as important CQA. A dynamic coating of the capillary was obtained with polyethylene oxide (PEO), whereas Bis‐Tris allowed the analysis of mAbs under native conditions at pH 7.0. The effect of PEO and Bis‐Tris concentrations, as well as the nature of the acidic counter ion on the method performance was systematically studied. The %RSD on migration times was below 5% on three different CE instruments using the optimized method. Additional charge variants (in particular acidic variants) were resolved for 10 out of 17 mAbs compared to a reference CZE approach involving the use of ε‐amino‐caproic acid (EACA), triethylenetetramine (TETA), and hydroxypropylmethyl cellulose (HPMC). The amount of basic and acidic charge variants of 17 Food and Drug Administration (FDA) approved mAbs covering a wide range of physico‐chemical properties, e.g., pI between 8.0 and 9.4 and different hydrophobicity, were mainly comprised between 5–15% and 15–30%, respectively. It is noteworthy that applications for the quality control in hospitals as well as for the combination of the immune checkpoint inhibitors nivolumab and ipilimumab were presented.
Nanoporous Carbon with Hierarchically Fiber‐Like Nanostructure for Lithium Ion Batteries Application
Authors: Ma Hong , Yang Xiaoqing , Li Xinxi , Yang Chuxiong
Published: May 2018

Biomass/waste‐based porous carbon (PC) has been treated as the potential anodes for lithium‐ion battery (LIB). Nevertheless, significant challenge appears because it usually exhibits low inheritability of the nanostructure upon activation. In this work, we develop a kind of fiber‐like PCs for LIBs application by choosing waste cotton gloves as the carbon source. The obtained activated carbon fiber (ACF) shows a superior inheritable fiber‐like morphology and thus presents a SBET (Brunauer‐Emmett‐Teller surface area) of 1708 m2 g−1 coupled with a macro/meso/microporous structure. This kind of well‐inherited fiber framework is believed to reduce the electron migration resistance, while the hierarchically macro/meso/microporous structure can reduce the diffusion/transport resistance of the electrolyte and simultaneously increase the utilization of the surface area for Li+ storage. As a result, the obtained ACF exhibits attractive lithium storage performances, including a better reversible capacity of 515 mAh g−1 and high‐rate capability in comparison to most biomass/waste‐based PCs.
Hazards to food caloric availability and coverage per capita due to climate change in the Puno region, Peruvian Altiplano: Challenges in food security and sovereignty
Authors: Gonzales‐Valero Wilfredo
Published: May 2018

The Peruvian Altiplano is frequently threatened by weather extremes, including droughts, frosts, and heavy rainfall. Given the persistence of significant undernourishment despite regional development efforts, this paper attempts to analyse and explain food insecurity in the Puno region in terms of food availability and food sovereignty. The purpose was to estimate the per capita caloric nutritional coverage and to determine the percentage contribution of food groups to the caloric availability in different climate change situations (normal, flood, drought), based on the Food Balance Sheet developed by FAO. Official information mainly from the Dirección Regional Agraria de Puno was used. The analysis revealed that the productive potential for food security and sovereignty of the Puno region depends mostly on climatic behavior, which becomes very critical during the last years. The caloric nutritional coverage in the Puno region during a climatologically normal year, reaches only 60% of the theoretical caloric needs of one person per day, with a caloric deficit of 40%. Even more, a year with excessive rainfalls generates a food calories dependence of 60%, while a year of drought generates 87%. The food groups that contribute most to the caloric availability are tubers, cereals and red meats. However, the proportions of the supply vary substantially according to the particular behavior of rainfalls, either in a normal year, with excessive rainfalls and/or in a drought situation. Results revealed a deficit of 1,000 kcal per capita per day in the Puno region even during normal years (750 mm of water layer), which can be resolved in a great part doubling the regional production of potato and quinoa, achieving a nutritional coverage of 95% of the nutritional requirements. These results must be considered to implement public policies focused in redress the caloric imbalance and adaptation to climate change in the Puno region.
Prospective Determination of Aspirin Sensitivity in Patients Resistant to Low Dose Aspirin: A Proof of Concept Study
Authors: Westphal Erica S. , Rainka Michelle , Amsler Michelle , Aladeen Traci , Wisniewski Caitlin , Bates Vernice , Gengo Fran M.
Published: May 2018

This study tested the capability of an assay to predict aspirin response and reduce ischemic events, and healthcare costs, and delays to optimal treatment. Patients who needed aspirin in the course of normal medical care were included. Patients were excluded if they had disorders affecting platelet function, alcohol use within 24 hours of a test, or NSAID use. Dose escalation of chewable aspirin from 81 mg, to 162 mg, to 325 mg daily occurred based on the results of whole blood impedance aggregation testing to the agonists, collagen (1ug/mL, 5 ug/mL) and arachidonate (0.5 mM) after 10–14 days of treatment. The experimental in vitro test was conducted in triplicate by performing aggregometry on samples spiked to a concentration of 10 uM of aspirin in 0.05% dimethyl sulfoxide. Of the 36 patients who were compliant 16 were found to be resistant to the antiplatelet effects of 81 mg daily aspirin. Nine of these patients were predicted to stay resistant despite dose increase. Once tested at higher doses, ten remained resistant. Seven of the 16 patients were predicted to become sensitive to a higher dose while six actually did. Predicted response to increased doses of aspirin was in good agreement with actual response. Sensitivity of the assay was 83% and specificity was 80%. Results are promising and indicate that it is possible to predict, with reasonable accuracy, if a patient will have an adequate platelet response to aspirin or if the patient will never respond to aspirin necessitating an alternative antiplatelet regimen. Larger, multisite studies are inevitably needed.