bluuebunny/crossref_metadata_2025 huggingface dataset:
Tuning the properties of segmented polyurea by regulating soft‐segment length
Authors: Iqbal Nahid , Tripathi Manorama , Parthasarathy Surekha , Kumar Devendra , Roy Prasun Kumar
Published: February 2018

Polyurea is being widely advocated as a “retrofit” coating on structures, which mandate protection against blast. The physical properties of polyurea can be tuned by judicious choice of reactants, and the processing methodology employed for its preparation. The purpose of this study is to establish the dependence of material properties on the soft segment length in polyurea. Polyurea formulations were prepared by reaction of commercially available isocyanate prepolymer with poly(propylene oxide) based amines of varying molecular weights (230–2000 g/mol). The effect of increasing the soft segment length on the mechanical properties of polyurea under both quasi‐static as well as dynamic conditions was determined. Ductility was found to increase proportionally with increasing soft segment length, with a concomitant decrease in the tensile strength. All the compositions exhibited sub‐ambient glass transition temperature, which was found to reduce with increasing soft‐segment length. Time–temperature superposition principle was used to arrive at master curves for all compositions. The frequency essential to initiate the process of dynamic “rubber to glass” transition was found to be directly proportional to the soft segment length. All the formulations were found to be capable of exhibiting an elastomeric response even under high frequencies typical of blast loadings. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46284.
Effect of dispersed phase on the morphology of in situ microfibrils and the viscoelastic properties of its composite via direct extrusion
Authors: Li Xiaogang , Xin Chunling , Huang Ying , Kang Kai , He Yadong
Published: February 2018

A triangle arrayed triple‐screw extruder was used to prepare in situ polypropylene (PP) microfibrillar composites (MFCs) by direct extrusion, in which polyamide 6,6 (PA66) and poly(butylene terephthalate) (PBT) were used as dispersed phases while PP as matrix phase. The morphological evolution of the dispersed phase were investigated by SEM through taking samples along the extruder from different positions. The results showed that the fibrillating mechanism of PA66 was entirely different from that of PBT. Dynamic oscillatory shear rheological properties were used to analyze the effect of different types of in situ microfibrils on the rheological properties of MFCs. The obtained results showed that the storage modulus and complex viscosity of both PP/PA66 and PP/PBT MFCs were improved with increasing fibrillar aspect ratios. The loss tangent tan δ at low frequencies decreased with the increase of fibrillar aspect ratio. Moreover, the gel point concentration of PP/PA66 composite was lower than that of PP/PBT composite. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46286.
Solid state 13C‐NMR study of a plasticized PLA/PHB polymer blend
Authors: Baran Anton , Vrábel Peter , Olčák Dušan , Chodák Ivan
Published: February 2018

High‐resolution solid‐state 13C nuclear magnetic resonance spectra and 13C spin–lattice relaxation times T1(13C) are used to characterize the structure of a polymer blend prepared from poly(lactic acid) (85 wt %) and poly(3‐hydroxybutyrate) (15 wt %) and the effect of the plasticizer triacetine on the structure and molecular dynamics of the blend. Single‐pulse and cross‐polarization magic angle spinning 13C nuclear magnetic resonance spectra indicate that the nonplasticized polymer blend consists of semicrystalline poly(3‐hydroxybutyrate) domains built into an amorphous poly(lactic acid) matrix. Triacetine supports formation of the crystalline regions within both polymer components in the blend. Spin–lattice relaxation times of carbonyl carbons indicate that the nonplasticized polymer blend consists of noninteracting chains of blended polymers and plasticization of the polymer blend increases the relaxation rate. The glass transition, cold crystallization, and melting processes of the nonplasticized and plasticized blends were also studied using differential scanning calorimetry methods. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46296.
Muscle sympathetic nerve activity‐coupled changes in brain activity during sustained muscle pain
Authors: Kobuch Sophie , Fazalbhoy Azharuddin , Brown Rachael , Macefield Vaughan G. , Henderson Luke A.
Published: February 2018

Introduction

Long‐lasting experimental muscle pain elicits divergent muscle sympathetic responses, with some individuals exhibiting a persistent increase in muscle sympathetic nerve activity (MSNA), and others a decrease. These divergent responses are thought to result from sustained functional changes in specific brain regions that modulate the cardiovascular responses to pain.

Aim

The aim of this study was to investigate brain regions that are functionally coupled to the generation of an MSNA burst at rest and to determine their behavior during tonic muscle pain.

Methods

Functional magnetic resonance imaging of the brain was performed concurrently with microelectrode recording of MSNA from the common peroneal nerve during a 40 min infusion of hypertonic saline into the ipsilateral tibialis anterior muscle of 37 healthy human subjects.

Results

At rest, blood oxygen level‐dependent signal intensity coupled to bursts of MSNA increased in the rostral ventrolateral medulla, insula, dorsolateral prefrontal cortex, posterior cingulate cortex, and precuneus and decreased in the region of the midbrain periaqueductal gray. During pain, MSNA‐coupled signal intensity was greater in the region of the nucleus tractus solitarius, midbrain periaqueductal gray, dorsolateral prefrontal, medial prefrontal, and anterior cingulate cortices, than at rest. Conversely, MSNA‐coupled signal intensity decreased during pain in parts of the prefrontal cortex.

Conclusions

These results suggest that multiple brain regions are recruited in a burst‐to‐burst manner, and the magnitude of these signal changes is correlated to the overall change in MSNA amplitude during tonic muscle pain.
The impact of cognitive remediation on cerebral activity in schizophrenia: Systematic review of the literature
Authors: Bon Laura , Franck Nicolas
Published: February 2018

Context

cognitive remediation involves either intensive training of impaired functions or implementing strategies to compensate for these impairments. In cases of schizophrenia, both methods have demonstrated benefits in terms of behavior and cerebral activity. However, despite the major differences between these two approaches, their impact has not yet been compared.

Method

We searched the PsychInfo, Pubmed, and ScienceDirect databases using the key words “cognitive remediation,” “schizophrenia,” “cerebral activity,” and “magnetic resonance imaging,” in order to select studies investigating the effects of cognitive remediation on patients with schizophrenia. The studies selected had to present their approach in detail and measure its impact in terms of both cerebral activity and cognitive function, both before and after therapy. We divided the studies into two groups, those using the strategy method and those using the training method.

Results

Eight studies were included in the review, four for the strategy method (88 patients, 44 of whom underwent remediation) and 4 for the training method (87 patients, 43 of whom underwent remediation). The analysis of the results of this study indicates that the training method is capable of activating more the targeted brain areas than the strategy method. However, the latter appears to encourage more extensive activation of the cerebral networks.

Discussion

The studies used for this review vary widely in terms of the imaging methods and protocol. However, differences were found between the two methods and lead us to suggest that further studies, with proper bias control, should be conducted to systematically compare the two approaches.
Practices of Third Wave Coffee: A Burundian Producer's Perspective
Authors: Rosenberg Lauren , Swilling Mark , Vermeulen Walter J V
Published: February 2018

The relationship between coffee quality and sustainability is typically analysed using symbolic quality attributes, not material quality. This article provides a bottom‐up perspective of Burundi's current competitive advantage in the global coffee market: material quality. The research agenda was embedded within the operations of a Burundian coffee washing station and describes critical business practices for producing and selling high material quality coffee. We argue that these business practices represent quality governance mechanisms that are significantly different from the exogenous and fixed criteria of sustainability certifications and labels. Such quality governance mechanisms are an important trading trend to recognize and understand in a producing country such as Burundi that is unable to effectively compete in the certified coffee market because of the small size and irregularity of its supply. Copyright © 2018 John Wiley & Sons, Ltd and ERP Environment
Interdisciplinary flipped learning for engineering classrooms in higher education: Students’ motivational regulation and design achievement
Authors: Park Sanghoon , Kaplan Howard , Schlaf Rudy
Published: February 2018

An interdisciplinary approach can improve both functional and aesthetic design skills for undergraduate engineering students. In this paper, we designed and compared two flipped engineering classrooms, one involving only engineering students who worked on individual design tasks, and the other including groups of an engineering student and an art major student that performed design tasks collaboratively. Fifty‐one engineering students, 29 from the individual flipped classroom and 22 from the interdisciplinary flipped classroom participated in the study. During the semester, all students studied pre‐recorded video lectures and homework before the class and then participated in weekly engineering design activities either individually or in a group. Students’ motivational experiences and engineering design achievement were assessed at the end of the semester. The results showed that students’ preferences in employing motivational regulation between the two flipped classrooms were different. Also, the students participated in the interdisciplinary flipped classroom exhibited higher aesthetic design achievement.
Is shock impedance value alone to be considered a good predictor for shock efficacy in subcutaneous implantable cardioverter defibrillator?
Authors: Di Girolamo Enrico , Furia Nanda , Faustino Massimiliano , Appignani Marianna , Arcari Giampiero , Angelini Alessandro , Spadoni Loris
Published: February 2018

Key Clinical Message

Subcutaneous implantable cardioverter defibrillator (S‐ICD) is easy to implant, with poor risks of the patient. However, fat is a poor current conductor and increases defibrillation threshold. As shock impedance alone should not be considered a good efficacy predictor of an S‐ICD system, an X‐ray latero‐lateral view for lead position should be achieved.
Color Changes of a Full‐Color Emissive ESIPT Fluorophore in Response to Recognition of Certain Acids and Their Conjugate Base Anions
Authors: Tsuchiya Saki , Sakai Ken‐ichi , Kawano Keiichi , Nakane Yuta , Kikuchi Takemitsu , Akutagawa Tomoyuki
Published: February 2018

2‐(1,3‐Benzothiazol‐2‐yl)‐4‐methoxy‐6‐(1,4,5‐triphenyl‐1H‐imidazol‐2‐yl)phenol (BTImP) is an excited‐state intramolecular proton transfer (ESIPT) fluorophore, containing an acid‐stimuli‐responsive intramolecular hydrogen bond (H‐bond) that can switch from the central phenolic proton to the imidazole (Im) or benzothiazole (BT) nitrogen atoms. Here, we demonstrate that BTImP shows full‐color (red, green, blue, and white) emission upon the addition of different concentrations of HClO4 or, with time, after the addition of HBF4. It also shows thermally dependent color changes from pink through white to blue in a narrow temperature range of 25–60 °C. 1H and 15N NMR measurements suggest that, after the green fluorescent BTImP is protonated at its Im nitrogen atom, a conjugate base anion coordinates to the imidazolium (HIm+) proton, forming two types of complexes with different coordination states. One state shows a significantly Stokes‐shifted red emission resulting from ESIPT at the BT side, whereas the other shows a typical Stokes‐shifted blue emission, probably caused by interaction of the anion with the phenolic proton, which breaks the H‐bond on the BT side. BF4− and ClO4− are effective in forming such a blue emitter, whereas Cl− and PF6− are not; this behavior depends on whether the anion can fit into the bidentate binding site consisting of HIm+ and the phenolic hydroxy group.
Zinc‐Containing Radical Anions via Single Electron Transfer to Donor–Acceptor Adducts
Authors: Cao Levy L. , Bamford Karlee L. , Liu Liu Leo , Stephan Douglas W.
Published: February 2018

Reactions of [Cp*2Fe] with the Lewis acid [Zn(C6F5)2] in the presence of [(PhC(S)S)2], 9,10‐phenanthrenedione or 4,5‐pyrenedione yield the salt [Cp*2Fe][(PhC(S)S)Zn(C6F5)2] 1, [Cp*2Fe][((C14H8O2)Zn(C6F5)2)⋅] 4, and [Cp*2Fe][((C16H8O2)Zn(C6F5)2)⋅] 5, respectively. The latter two species represent the first examples of isolable zinc‐containing radical anions. While [(PhC(S)S)2] binds weakly to [Zn(C6F5)2], the diones afford the isolable adducts [(C14H8O2)Zn(C6F5)2] 2 and [(C16H8O2)Zn(C6F5)2] 3. Cyclic voltammetry and computational studies support the view that 4 and 5 are formed via single electron transfer (SET) to the donor–acceptor adducts, 2 and 3, respectively. Subsequent treatment of 4 and 5 with [NC5H4NMe2] affords [Zn(C6F5)2(NC5H4NMe2)2] with liberation of the dione, and regeneration of [Cp*2Fe].
Influence of Filtration on the Agglomeration Degree of Two Crystalline Amino Acids
Authors: Löbnitz Lisa , Böser Marius , Nirschl Hermann
Published: February 2018

Separating crystalline material from the mother liquor is often performed by filtration, whereas different options to generate the driving force are possible to use. However, the separation process can affect the structure of crystalline material, either by breakage events or agglomeration. In this work, a method of automated image analysis was used to evaluate the agglomeration degree of two crystalline amino acids after a pressure or vacuum filtration. The information resulting from this consideration enables to adjust the crystal structure depending on the individual filtration type.
Numerical Analysis of the Die Filling Process Within a Pharmaceutical Tableting Machine
Authors: Hildebrandt Claudia , Gopireddy Srikanth R. , Scherließ Regina , Urbanetz Nora
Published: February 2018

One of the main benefits of numerical simulations is the ability to shed light on the underlying physics in unit operations. This advantage was exploited in this work to study the die filling process in a lab‐scale pharmaceutical rotary tablet press. The die filling process with emphasis on mass holdup, mass flow rate, tablet mass, and API content in the dies is described in detail. Eventually a design of experiments provides a clear picture on the influence of process conditions and material properties on the tablet mass to improve the process understanding.
Synthesis of Subnanometer‐Sized Gold Clusters by a Simple Milling‐Mediated Solid Reduction Method
Authors: Liu Qinggang , Wang Xinkui , Ren Yujing , Yang Xiaofeng , Wu Zhilian , Liu Xiaoyan , Li Lin , Miao Shu , Su Yang , Li Yanqin , Liang Changhai , Huang Yanqiang
Published: February 2018

An effective solvent‐free method based on a solid‐reduction process was developed to fabricate ultrafine gold catalysts. By this method we revealed a strong size‐dependent activity of Au species in which subnanometer‐sized clusters exhibited the best activity in the hydrogenation of CO2 to formate, with a turnover number of up to 9278 over 7 h at 90 °C.
Use of the 22C3 anti–programmed death‐ligand 1 antibody to determine programmed death‐ligand 1 expression in cytology samples obtained from non–small cell lung cancer patients
Authors: Ilie Marius , Juco Jonathan , Huang Lingkang , Hofman Veronique , Khambata‐Ford Shirin , Hofman Paul
Published: February 2018

BACKGROUND

Pembrolizumab monotherapy is a standard‐of‐care treatment for the first‐ and second‐line treatment of advanced non–small cell lung cancer with programmed death‐ligand 1 (PD‐L1) tumor proportion score (TPS) values ≥ 50% and ≥ 1%, respectively. PD‐L1 testing with the PD‐L1 immunohistochemistry (IHC) 22C3 pharmDx companion assay has been validated on tumor tissue with the Dako Autostainer Link 48 (ASL48). 22C3 anti–PD‐L1 antibody–based laboratory‐developed tests (LDTs) compatible with other autostainers and cytology samples are essential to support pembrolizumab treatment decisions across institutions globally.

METHODS

ASL48 and BenchMark Ultra LDTs were optimized for the evaluation of cytology samples through comparisons with cell lines with known PD‐L1 expression levels (strong, moderate, and negative). The PD‐L1 TPS was then evaluated for 70 paired biopsy and cytology samples (bronchial washes, n = 40; pleural effusions, n = 30) with these LDTs. Biopsy and cytology LDT TPS values were also compared with a subset of biopsy samples (n = 37) evaluated with the PD‐L1 IHC 22C3 pharmDx assay on the ASL48.

RESULTS

Intraclass correlation coefficients of 0.884 to 0.898 were observed for biopsy samples versus cytology samples with the ASL48 and BenchMark Ultra LDTs. Concordance was high, regardless of the TPS cut point (<1% vs ≥ 1% and <50% vs ≥ 50%), sample type (pleural effusion vs bronchial wash), or tumor histology (adenocarcinoma vs squamous cell carcinoma). Concordance was high for each LDT versus the PD‐L1 IHC 22C3 pharmDx assay.

CONCLUSIONS

ASL48 and BenchMark Ultra 22C3 antibody concentrate–based LDTs have been validated for PD‐L1 testing in cytology samples, and they will support reliable, high‐quality PD‐L1 testing across regions globally. Cancer Cytopathol 2018;126:264‐74. © 2018 American Cancer Society.
5,5′,6,6′‐Tetranitro‐2,2′‐bibenzimidazole: A Thermally Stable and Insensitive Energetic Compound
Authors: Gutowski Łukasz , Trzciński Waldemar , Szala Mateusz
Published: February 2018

A new energetic compound, namely a secondary explosive (5,5′,6,6′‐tetranitro‐2,2′‐bibenzimidazole, TNBBI) with high thermal stability is described. TNBBI is synthesized through direct nitration of 2,2′‐bibenzimidazole with nitric acid. TNBBI decomposes exothermically at 394 °C without visible melting. The heat of combustion and the standard enthalpy of formation are determined experimentally. The detonation parameters calculated for the new compound are slightly lower than those for TNT. However, the combination of TNBBI′s high decomposition temperature and low sensitivity make it a promising thermally stable energetic compound. The structure of the new compound is confirmed by NMR and IR spectroscopy.
Piezofluorochromism in Charge‐Transfer Inclusion Crystals: The Influence of High Pressure versus Mechanical Grinding
Authors: Ono Toshikazu , Tsukiyama Yoshifumi , Taema Ai , Sato Hiroyasu , Kiyooka Hidetoshi , Yamaguchi Yuma , Nagahashi Ayumi , Nishiyama Manami , Akahama Yuichi , Ozawa Yoshiki , Abe Masaaki , Hisaeda Yoshio
Published: February 2018

The distinct piezochromic luminescent responses of charge−transfer inclusion crystals, which consist of small aromatic guest molecules with naphthalenediimide derivatives, are reported. Reversible multichromism is observed over the entire visible region in response to high pressure, whereas a weak response to mechanical grinding is evident. High‐pressure single‐crystal X‐ray diffraction analysis and TD‐DFT calculations clearly suggest that high compression induces a closer arrangement with a short interfacial distance between small aromatic guest molecules and naphthalenediimide derivatives, which is proposed as the origin of the drastic luminescent color change.
End‐state comfort in two object manipulation tasks: Investigating how the movement context influences planning in children, young adults, and older adults
Authors: Scharoun Benson Sara M. , Roy Eric A. , Bryden Pamela J.
Published: February 2018

The movement context (pantomime, pantomime with image/object as guide, and actual use) has been shown to influence end‐state comfort—the propensity to prioritize a comfortable final hand position over an initially comfortable one—across the lifespan. The present study aimed to assess how the movement context (pantomime, using a dowel as the tool, and actual use) influences end‐state comfort when acting with objects (glass/hammer) that differ in use‐dependent experience. Children (ages 6–11, n = 70), young adults (n = 21), and older adults (n = 21) picked up an overturned glass to pour water and a hammer to hit a nail, where the handle faced away from the participant. End‐state comfort was assessed in each movement context. Findings provide support for an increase in end‐state comfort with age, adult‐like patterns at age 10, and no difference between older adults and 8‐ to 9‐year‐old children. In addition, this work revealed that perception of “graspability” led to an increase in end‐state comfort in the hammering task; therefore, suggesting our ability to act with objects and tools in the environment is influenced by use‐dependent experience and object perception. Results add to our understanding of changes in motor planning abilities with age, and factors underlying these changes.
Developmental and sex differences in tetramethylenedisulfotetramine (TMDT)‐induced syndrome in rats
Authors: Lauková Marcela , Velíšková Jana , Velíšek Libor , Shakarjian Michael P.
Published: February 2018

Tetramethylenedisulfotetramine (TMDT) is a synthetic neurotoxic rodenticide considered a chemical threat agent. Symptoms of intoxication include seizures leading to status epilepticus and death. While children and women have been often the victims, no studies exist investigating the neurotoxic effects of TMDT in developing individuals or females. Thus, we performed such an investigation in developing Sprague‐Dawley rats of both sexes in order to identify potential age‐ or sex‐dependent vulnerability to TMDT exposure. Subcutaneous injection was chosen as the preferred route of TMDT exposure. EEG recordings confirmed the seizure activity observed in both postnatal day 15 (P15) and adult rats. Additionally, P15 rats displayed greater sensitivity to TMDT than postnanatal day 25 or adult animals. Seizures were generally more severe in females compared to males. Barrel rotations accompanied convulsions in P25 and adult, but sparsely in P15 rats. Adults developed barrel rolling less frequently than P25 population. Neuronal cell death was not present in 24‐h TMDT survivors at any age or sex tested. A seizure rechallenge with flurothyl 7 days following TMDT exposure demonstrated longer latencies to the first clonic seizure but a faster progression into the tonic‐clonic seizure in P15 and adult survivors as compared to their vehicle‐injected counterparts. In conclusion, the youngest age group represents the most vulnerable population to the TMDT‐induced toxidrome. Females appear to be more vulnerable than males. TMDT exposure promotes seizure spread and progression in survivors. These findings will help to establish sex‐ and age‐specific treatment strategies for TMDT‐exposed individuals. © 2018 Wiley Periodicals, Inc. Develop Neurobiol 78: 403–416, 2018
Life histories and ecotype conservation in an adaptive vertebrate: Genetic constitution of piscivorous brown trout covaries with habitat stability
Authors: Wollebaek Jens , Heggenes Jan , Roed Knut H.
Published: February 2018

Ecotype variation in species exhibiting different life history strategies may reflect heritable adaptations to optimize reproductive success, and potential for speciation. Traditionally, ecotypes have, however, been defined by morphometrics and life history characteristics, which may be confounded with individual plasticity. Here, we use the widely distributed and polytypic freshwater fish species brown trout (Salmo trutta) as a model to study piscivorous life history and its genetic characteristics in environmentally contrasting habitats; a large lake ecosystem with one major large and stable tributary, and several small tributaries. Data from 550 fish and 13 polymorphic microsatellites (He = 0.67) indicated ecotype‐specific genetic differentiation (θ = 0.0170,p < .0001) among Bayesian assigned small riverine resident and large, lake migrating brown trout (>35 cm), but only in the large tributary. In contrast, large trout did not constitute a distinct genetic group in small tributaries, or across riverine sites. Whereas life history data suggest a small, river resident and a large migratory piscivorous ecotype in all studied tributaries, genetic data indicated that a genetically distinct piscivorous ecotype is more likely to evolve in the large and relatively more stable river habitat. In the smaller tributaries, ecotypes apparently resulted from individual plasticity. Whether different life histories and ecotypes result from individual plasticity or define different genetic types, have important consequence for conservation strategies.
Volatility in the effective size of a freshwater gastropod population
Authors: Dillon Robert T.
Published: February 2018

Despite the utility of gastropod models for the study of evolutionary processes of great generality and importance, their effective population size has rarely been estimated in the field. Here, we report allele frequency variance at three allozyme‐encoding loci monitored over 7 years in a population of the invasive freshwater pulmonate snail Physa acuta (Draparnaud 1805), estimating effective population size with both single‐sample and two‐sample approaches. Estimated Ne declined from effectively infinite in 2009 to approximately 40–50 in 2012 and then rose back to infinity in 2015, corresponding to a striking fluctuation in the apparent census size of the population. Such volatility in Ne may reflect cryptic population subdivision.
Magnetization‐Induced Second Harmonic Generation (MSHG) in a Pentacyanidonitrosylmolybdate‐Based Piezoelectric Ferrimagnet
Authors: Komine Masaya , Imoto Kenta , Miyamoto Yasuto , Nakabayashi Koji , Ohkoshi Shin‐ichi
Published: February 2018

The pentacyanidonitrosylmetalate [M(CN)5(NO)] (M = metal ion) is an attractive building block for bimetal assemblies exhibiting a long‐range magnetic ordering. In this work, a cyanido‐bridged bimetal assembly based on a pentacyanidonitrosylmolybdate, Cs1.26Mn0.87[Mo(CN)5(NO)]·0.6H2O, was prepared. This compound has a noncentrosymmetric cubic crystal structure in the F43m space group and a lattice constant of 10.8970(3) Å. It exhibits ferrimagnetism with a Curie temperature (TC) of 65 K due to the antiparallel ordering of the MnII (S = 5/2) and MoI (S = 1/2) magnetic spins. Owing to the piezoelectric crystal structure, this compound exhibits second harmonic generation (SHG) and magnetization‐induced second harmonic generation (MSHG).
Iron Oxide Nanoparticle and Multiwalled Carbon Nanotube Modified Glassy Carbon Electrodes. Application to Levodopa Detection
Authors: Baião Vanessa , Tomé Luciana I.N. , Brett Christopher M.A.
Published: February 2018

The combination of iron (III) oxide nanoparticles (Fe2O3NP) with functionalized multi‐walled carbon nanotubes (MWCNT) has been used to develop a new and easily prepared modified glassy carbon electrode (GCE). The Fe2O3NP‐MWCNT/GCE were electrochemically characterized by cyclic voltammetry with the model hexacyanoferrate(III)/(II) redox probe. Their application as electrochemical sensors was demonstrated using levodopa oxidation, with excellent analytical performance. The analytical parameters compare favourably with other similar modified electrodes reported in the literature. Excellent selectivity was shown in interference studies and the determination of levodopa was carried out in pharmaceutical samples.
The influence of transparency on budget forecast deviations in municipal governments
Authors: Ríos Ana‐María , Guillamón María‐Dolores , Benito Bernardino , Bastida Francisco
Published: February 2018

This paper analyzes the impact of transparency on fiscal performance. Our sample considers the 100 largest Spanish municipalities for the years 2008, 2009, 2010, 2012, and 2014. The results show that the level of municipal transparency influences budget forecast deviations in tax revenues and current expenditures. On the one hand, less transparent municipalities overestimate their revenues, allowing them to provide more public services without an immediate increase in taxes. On the other, these local governments, which are aware of the overestimation of their revenues, may spend less than they budgeted. More transparent municipalities, meanwhile, seem to be more prudent in their revenue estimations, since they underestimate their revenues, meaning they can spend more than projected. Our results also show that the behavior of politicians is influenced by the phase of the electoral cycle in which they find themselves, with politicians overestimating expenditures in the year before election.
Moisture sorption isotherm and changes in physico‐mechanical properties of films produced from waste flour and their application on preservation quality of fresh strawberry
Authors: Muangrat Rattana , Nuankham Chanida
Published: February 2018

Waste flour from the noodle industry was used to produce films, which were plasticized with 40% w/w glycerol:sorbitol at 2:1, 3:1, and 4:1 w/w and formulated with 200 ppm potassium sorbate. Henderson's equation was found to be the best estimator for moisture sorption isotherm of the films stored at 5, 25, and 45°C, and then, equilibrated at 0.11, 0.23, 0.32, 0.43, 0.58, 0.64, 0.76, 0.84, and 0.93 water activity. Developed flour films (plasticized with 2:1 w/w glycerol:sorbitol/formulated with 20% w/w potassium sorbate), with the best mechanical properties (tensile strength of 1.05 MPa; elongation at break of 73.01%), were used to cover fresh strawberries on a polystyrene foam tray. It was found that higher average phenolic contents, antioxidant activity, and firmness were found in strawberries wrapped in plasticized/formulated films, when compared against both films without potassium sorbate and without film (control). Furthermore, a lower average total microorganism count was found for fresh strawberries wrapped in the plasticized/formulated films, when compared with films without potassium sorbate.
Effect of ultrahigh temperature treatment on qualities of watermelon juice
Authors: Wang Yubin , Guo Xiaofei , Ma Yue , Zhao Xiaoyan , Zhang Chao
Published: February 2018

The watermelon juice was pasteurized by the ultrahigh temperature (UHT) treatment, and the qualities of the pasteurized juice were compared to screen the optimal UHT. The UHT of 120 and 135°C inactivated the microbial colonies and maintained the original color of the watermelon juice. The temperature of 120 and 135°C was also maintained the phenolic content by reducing the polyphenoloxidase activity. Moreover, the C9 aldehydes, especially the (E,Z)‐2,6‐nonadienal, presented the main aroma of the watermelon juice. The C9 aldehydes were formed as the results of the heat reduction and enzymatic metabolism. The temperature of 120 and 135°C reduced the alcohol dehydrogenase activity and well maintained the C9 aldehyde content of the watermelon juice. Hence, the temperature of 120°C of the UHT treatment was the optimal temperature for the production of the watermelon juice.
Performance of a Cu–Fe‐based oxygen carrier combined with a Ni‐based oxygen carrier in a chemical‐looping combustion process based on fixed‐bed reactors
Authors: Tian Qiang , Che Lixin , Ding Bin , Wang Qianwei , Su Qingquan
Published: February 2018

The application of chemical‐looping combustion (CLC) based on fixed‐bed reactors for distributed medium‐ and small‐scale hot‐water and steam gas‐fuelled boilers is promising due to its low NOx emission, high energy efficiency and nearly zero energy consumption in carbon capture. For fixed‐bed reactors, a wide operating temperature window (Tw) for the oxygen carrier (OC) is crucial to ensure the performance and cycle life of the OC. The performance of Cu30–Fe50/Al20‐M combined with different Ni‐based OCs was investigated to extend the Tw(L) of 600°C for Cu30–Fe50/Al20‐M to a lower temperature, which was developed previously. The different Ni‐based OCs would work as CH4 steam reforming catalysts if their required reduction temperatures were significantly lower than the Tw(L) of Cu30–Fe50/Al20‐M. Results showed that a Ni‐based OC of Ni60/Al40‐M could be reduced with CH4/H2O with an S/C of 1.0 at a temperature of 450°C. The combination of Cu30–Fe50/Al20 and Ni25/Al75‐I, which was packed in the bed by a mixing method, exhibited a low‐temperature reactivity and Tw(L) was lowered from 600°C to 490°C. Moreover, carbon deposition and an intermediate compound, NiFe2O4, which was found in a composite OC of Ni–Cu–Fe–/Al, were not detected during the reduction step. Based on the results, a new CLC process, which was characterised by an integrated methane steam reforming in the reduction step, was proposed. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd.
Sensitivity and specificity of a briefer version of the Cambridge Cognitive Examination (CAMCog‐Short) in the detection of cognitive decline in the elderly: An exploratory study
Authors: Radanovic Marcia , Facco Giuliana , Forlenza Orestes V.
Published: February 2018

Objective

To create a reduced and briefer version of the widely used Cambridge Cognitive Examination (CAMCog) battery as a concise cognitive test to be used in primary and secondary levels of health care to detect cognitive decline. Our aim was to reduce the administration time of the original test while maintaining its diagnostic accuracy.

Methods

On the basis of the analysis of 835 CAMCog tests performed by 429 subjects (107 controls, 192 mild cognitive impairment [MCI], and 130 dementia patients), we extracted items that most contributed to intergroup differentiation, according to 2 educational levels (≤8 and >8 y of formal schooling).

Results

The final 33‐item “low education” and 24‐item“high education” CAMCog‐Short correspond to 48.5% and 35% of the original version and yielded similar rates of accuracy: area under ROC curves (AUC) > 0.9 in the differentiation between controls × dementia and MCI × dementia (sensitivities > 75%; specificities > 90%); AUC > 0.7 for the differentiation between controls and MCI (sensitivities > 65%; specificities > 75%).

Conclusions

The CAMCog‐Short emerges as a promising tool for a brief, yet sufficiently accurate, screening tool for use in clinical settings. Further prospective studies designed to validate its diagnostic accuracy are needed.
Regional variation of recession flow power‐law exponent
Authors: Patnaik Swagat , Biswal Basudev , Nagesh Kumar Dasika , Sivakumar Bellie
Published: February 2018

Recession flows of a basin provide valuable information about its storage–discharge relationship as during recession periods discharge occurs due to depletion of storage. Storage–discharge analysis is generally performed by plotting −dQ/dt against Q, where Q is discharge at time t. For most real world catchments, −dQ/dt versus Q show a power‐law relationship of the type: −dQ/dt = kQα. Because the coefficient k varies across recession events significantly, the exponent α needs to be computed separately for individual recession events. The median α can then be considered as the representative α for the basin. The question that arises here is what are the basin characteristics that influence the value of α? Studies based on a small number of basins (up to 50 basins) reveal that α has good relationship with several basin characteristics. However, whether such a relationship is universal remains an important question, because a universal relationship would allow prediction of the value of α for any ungauged basin. To test this hypothesis, here, we study data collected from a relatively large number of basins (358 basins) in USA and examine the influence of 35 different physio‐climatic characteristics on α. We divide the basins into 2 groups based on their longitudes and test the relationship between α and basin characteristics separately for the two groups. The results indicate that α is not identically influenced by different basin characteristics for the two datasets. This may suggest that the power‐law exponent α of a region is determined by the way local physio‐climatic forces have shaped the landscape.
Laser‐induced breakdown spectroscopy‐Raman: An effective complementary approach to analyze renal‐calculi
Authors: Muhammed Shameem K. M. , Chawla Arun , Mallya Madhukar , Barik Bijay Kumar , Unnikrishnan V. K. , Kartha V. B. , Santhosh C.
Published: February 2018

Presence of renal‐calculi (kidney stones) in human urethra is being increasingly diagnosed over the last decade and is considered as one of the most painful urological disorders. Accurate analysis of such stones plays a vital role in the evaluation of urolithiasis patients and in turn helps the clinicians toward exact etiologies. Two highly complementary laser‐based analytical techniques; laser‐induced breakdown spectroscopy (LIBS) and micro‐Raman spectroscopy have been used to identify the chemical composition of different types of renal‐calculi. LIBS explores elemental characteristics while Raman spectroscopy provides molecular details of the sample. This complete information on the sample composition might help clinicians to identify the key aspects of the formation of kidney stones, hence assist in therapeutic management and to prevent recurrence. The complementarity of both techniques has been emphasized and discussed. LIBS spectra of different types of stones suggest the probable composition of it by virtue of the major, minor and trace elements detected from the sample. However, it failed to differentiate the crystalline form of different hydrates of calcium oxalate stone. This lacuna was overcome by the use of Raman spectroscopy and these results are compared with conventional chemical analysis.
Long‐term evaluation of vascular grafts with circumferentially aligned microfibers in a rat abdominal aorta replacement model
Authors: Li Wen , Chen Jingrui , Xu Pan , Zhu Meifeng , Wu Yifan , Wang Zhihong , Zhao Tiechan , Cheng Quhan , Wang Kai , Fan Guanwei , Zhu Yan , Kong Deling
Published: February 2018

Long‐term results of implants in small animal models can be used to optimize the design of grafts to further promote tissue regeneration. In previous study, we fabricated a poly(ɛ‐caprolactone) (PCL) bi‐layered vascular graft consisting of an internal layer with circumferentially aligned microfibers and an external layer with random nanofibers. The circumferentially oriented vascular smooth muscle cells (VSMCs) were successfully regenerated after the grafts were implanted in rat abdominal aorta for 3 months. Here we investigated the long‐term (18 months) performance of the bi‐layered grafts in the same model. All the grafts were patent. No thrombosis, aneurysm, or stenosis occurred. The endothelium maintained complete. However, most of circumferentially oriented VSMCs migrated to luminal surface of the grafts to form a neointima with uniform thickness. Accordingly, extracellular matrix including collagen, elastin, and glycosaminoglycan displayed high density in neointima layer while with low density in the grafts wall because of the incomplete degradation of PCL. A small amounts of calcification occurred in the grafts. The contraction and relaxation function of regenerated neoartery almost disappeared. These data indicated that based on the structure design, many other factors of grafts should be considered to achieve the regenerated neoartery similar to the native vessels after long‐term implantation. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 2596–2604, 2018.
Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Novel (4‐Hydroxy‐2‐Thioxo‐3,4‐Dihydro‐2H‐[1,3]Thiazin‐6‐Yl)‐Chromen‐2‐Ones via a Multicomponent Approach
Authors: Sharma Archi , Gudala Satish , Ambati Srinivasa Rao , Penta Santhosh , Bomma Yashwanth , Janapala Venkateswara Rao , Jha Anubhuti , Kumar Awanish
Published: February 2018

A series of coumarin‐substituted 1,3‐thiazine‐2‐thione derivatives (4a–m) were synthesized via the multicomponent reaction of 3‐chloro‐3‐(2‐oxo‐2H‐chromen‐3‐yl)acrylaldehyde (1) carbon disulfide (2), and various primary amines (3), in presence of triethylamine and acetonitrile under stirring with good yields. The structures of all the synthesized compounds were characterized by analytical and spectral studies. Further, the synthesized compounds were screened for their in vitro antiproliferative activities against different cancer cell lines (A549, MDA‐MB‐231, MCF7, HeLa, and B16F10). Studies on the molecular interactions to recognize the hypothetical binding motif of the title compounds with the target Hsp 100 were carried out employing the Schrodinger software. Compounds 4a, 4c and 4m showed activity against all the five cell lines compared with the reference drug, and 4a exhibited the least IC50 concentration of 7.56 ± 1.07 μg/mL against MCF7. This in vitro anticancer result was supported by in silico docking and in silico ADME (absorption, distribution, metabolism, and excretion) studies as well.
Different ESIPT Mechanisms forAngular‐Shaped Quinacridone in Toluene and Dimethyl Formamide (DMF) Solvents: A Theoretical Study
Authors: Yang Dapeng , Jia Min , Song Xiaoyan , Zhang Qiaoli
Published: February 2018

Adopting density functional theory (DFT) and time‐dependent density functional theory (TDDFT) methods, we investigat and present two different excited‐state intramolecular proton transfer (ESIPT) mechanisms ofangular‐quinacridone (a‐QD) in both toluene and DMF,theoretically. Comparing the primary structural variations of a‐QD involved in the intramolecular hydrogen bond, we conclude that N1–H2⋯O3 should be strengthened in the S1state, which may facilitate the ESIPT process. Particularly, in toluene, the S1‐state‐stable a‐QD enol* could not be located because of the non‐barrier ESIPT process. Concomitantly, infrared vibrational spectral analysis further verified the stability of the hydrogen bond. In addition, the role of charge–transfer interaction has been addressed under the frontier molecular orbitals (MOs), which depicts the nature of the electronic excited state and supports the ESIPT reaction. The potential energy curves according to variational N1–H2 coordinate demonstrates that the proton transfer process should occur spontaneously in toluene; however, in DMF, a low potential energy barrier of 0.493 kcal/mol is needed to complete the ESIPT reaction. Although this barrier of 0.493 kcal/mol is too low to make an important impact on the ESIPT reaction, just because of the existence of barrier, ESIPT mechanisms in toluene and DMF are different.
Morphological and chemical changes in human deciduous dentin after phosphoric acid, self‐etching adhesive and Er: YAG laser conditioning
Authors: de los Angeles Moyaho‐Bernal María , Contreras‐Bulnes Rosalía , Rodríguez‐Vilchis Laura Emma , Rubio‐Rosas Efraín , Scougall‐Vilchis Rogelio José , Centeno‐Pedraza Claudia
Published: February 2018

The morphological and chemical changes in deciduous dentin produced by different conditioning protocols were evaluated in this in vitro study. Eighty primary dentin samples were divided into eight groups (n = 10): G1, acid etching; G2, self‐etching adhesive; G3, G4, Er: YAG laser irradiation at 25.5 and 38.2 J cm−2, respectively; 10 Hz and spray irrigation. Groups 5, 6, 7, and 8 were irradiated at previous densities, and then phosphoric acid or self‐etching adhesive conditioning was applied. Scanning electron microscopy (SEM) and energy dispersive X‐ray spectroscopy (EDS) were used to evaluate chemical and morphological changes. Paired t‐test and One‐way ANOVA were used for statistical analysis (p ≤ 0.05). All samples showed different morphology with specific characteristics according to the conditioning protocol. Changing element concentration values are expressed in atomic percent (at %). After conditioning, there were statistically significant differences (p ≤ 0.05) for p at% and Ca/P in all groups; highlighting the following additional findings by group: G1, G7, and G8 showed changes in all elements studied, G2 presented a decrease in C at% and increased Ca at%, G3 and G4 exhibited at% changes in C, trace elements and Ca. Furthermore, G5 showed at% changes in O and trace elements; while G6 changes were observed on C at%, O at% and trace elements at%. Dentin morphology and chemical composition varied in accordance with the conditioning protocol, with characteristics specific for each one that could have clinical implications for the retention and bond strength performance of adhesive materials.
Synthesis and In Vitro Anticancer Activity of Novel 1,3,4‐Oxadiazole‐Linked 1,2,3‐Triazole/Isoxazole Hybrids
Authors: Madhavilatha B. , Bhattacharjee Debanjan , Sabitha Gowravaram , Reddy B. V. Subba , Yadav J. S. , Jain Nishant , Reddy B. Jagan Mohan
Published: February 2018

A series of new 1,3,4‐oxadiazole‐linked 1,2,3‐triazole/isoxazole derivatives were designed and synthesized. All the synthesized compounds were screened for in vitro anticancer activity against four human cancer cells: HeLa (cervical), MDA‐MB‐231 (breast), DU‐145 (prostate), and HEPG2 (liver). Among 17 compounds tested, 7a, 7c, and 7d showed potent activity toward four cell lines.
Selective Synthesis of 3‐(α,α‐Dibromoacetyl)‐4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one as an Excellent Precursor for the Synthesis of 2‐Substituted 4‐(4‐Hydroxy‐6‐methyl‐2H‐2‐oxopyran‐3‐yl)thiazoles as Antimicrobial and Antifungal Agents
Authors: Kapoor Jitander K. , Prakash Richa , Kumar Ajay , Saini Deepika , Arora Loveena
Published: February 2018

A selective synthesis of 3‐(α,α‐dibromoacetyl)‐4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one (3) has been achieved by bromination of DHA using CuBr2/CHCl3‐EtOAc. The reaction of 3 with different thioureas/thiomides/thiosemicarbazide offers a convenient and efficient method for the syntheses of 2‐substituted 4‐(4‐hydroxy‐6‐methyl‐2H‐2‐oxopyran‐3‐yl)thiazoles. These thiazoles were evaluated for their antimicrobial and antifungal activity.
Synthesis and Nematocidal Activity of N‐Substituted 3‐Methyl‐1H‐pyrazole‐4‐carboxamide Derivatives Against Meloidogyne incognita
Authors: Cheng Long , Shen Zhong‐Hua , Xu Tian‐Ming , Tan Cheng‐Xia , Weng Jian‐Quan , Han Liang , Peng Wei‐Li , Liu Xing‐Hai
Published: February 2018

A series of novel pyrazole carboxamides were designed and synthesized through multi‐step reactions from ethyl acetoacetate and triethyl orthoformate, and their structures were characterized by Fourier transform infrared, 1H‐NMR, 13C‐NMR, mass spectrometry, and elemental analysis. The preliminary insecticidal activity showed that some of them possessed good insecticidal activities against Meloidogyne incognita.