bluuebunny/crossref_metadata_2025 huggingface dataset:
Natural history of limb girdle muscular dystrophy R9 over 6 years: searching for trial endpoints
Authors: Murphy Alexander P. , Morrow Jasper , Dahlqvist Julia R. , Stojkovic Tanya , Willis Tracey A. , Sinclair Christopher D. J. , Wastling Stephen , Yousry Tarek , Hanna Michael S. , James Meredith K. , Mayhew Anna , Eagle Michelle , Lee Laurence E. , Hogrel Jean‐Yves , Carlier Pierre G. , Thornton John S. , Vissing John , Hollingsworth Kieren G. , Straub Volker
Published: May 2019

Objective

Limb girdle muscular dystrophy type R9 (LGMD R9) is an autosomal recessive muscle disease for which there is currently no causative treatment. The development of putative therapies requires sensitive outcome measures for clinical trials in this slowly progressing condition. This study extends functional assessments and MRI muscle fat fraction measurements in an LGMD R9 cohort across 6 years.

Methods

Twenty‐three participants with LGMD R9, previously assessed over a 1‐year period, were re‐enrolled at 6 years. Standardized functional assessments were performed including: myometry, timed tests, and spirometry testing. Quantitative MRI was used to measure fat fraction in lower limb skeletal muscle groups.

Results

At 6 years, all 14 muscle groups assessed demonstrated significant increases in fat fraction, compared to eight groups in the 1‐year follow‐up study. In direct contrast to the 1‐year follow‐up, the 6‐min walk test, 10‐m walk or run, timed up and go, stair ascend, stair descend and chair rise demonstrated significant decline. Among the functional tests, only FVC significantly declined over both the 1‐ and 6‐year studies.

Interpretation

These results further support fat fraction measurements as a primary outcome measure alongside functional assessments. The most appropriate individual muscles are the vastus lateralis, gracilis, sartorius, and gastrocnemii. Using composite groups of lower leg muscles, thigh muscles, or triceps surae, yielded high standardized response means (SRMs). Over 6 years, quantitative fat fraction assessment demonstrated higher SRM values than seen in functional tests suggesting greater responsiveness to disease progression.
Injectable Cholesterol‐Enhanced Stereocomplex Polylactide Thermogel Loading Chondrocytes for Optimized Cartilage Regeneration
Authors: Wang Chenyu , Feng Naibo , Chang Fei , Wang Jincheng , Yuan Baoming , Cheng Yilong , Liu He , Yu Jiakuo , Zou Jun , Ding Jianxun , Chen Xuesi
Published: May 2019

Ideal cartilage tissue engineering requires scaffolds featuring good biocompatibility, large pore structure, high mechanical strength, as well as minimal invasion procedure. Although significant progress has been made in the development of polymer scaffolds, the construction of smart systems with all the desired properties is still emerging as a challenge. The thermogels of stereocomplex 4‐arm poly(ethylene glycol)–polylactide (PEG–PLA) (scPLAgel) and stereocomplex cholesterol‐modified 4‐arm PEG–PLA (scPLA–Cholgel) from the equimolar enantiomeric 4‐arm PEG–PLA and 4‐arm PEG–PLA–Chol, respectively, are fabricated as scaffolds for cartilage tissue engineering. scPLA–Cholgel shows lower critical gelation temperature, higher mechanical strength, larger pore size, better chondrocyte adhesion, and slower degradation compared to scPLAgel as the benefit of cholesterol modification, which is more appropriate for cartilage regeneration. Moreover, the preservation of morphology, biomechanical property, cartilaginous specific matrix, as well as cartilaginous gene expressions of engineered cartilage mediated by scPLA–Cholgel are proven superior to those by scPLAgel. scPLA–Cholgel serves as a promising chondrocyte carrier for cartilage tissue engineering and gives an alternative solution to clinical cartilage repair.
On the link between experimentally‐measured turbulence quantities and polymer‐induced drag reduction in pipe flows
Authors: Voulgaropoulos Victor , Zadrazil Ivan , Le Brun Niccolò , Bismarck Alexander , Markides Christos N.
Published: May 2019

In this study, we investigate the hydrodynamics of polymer‐induced drag reduction (DR) in horizontal turbulent pipe flows. We provide spatiotemporally resolved information of velocity and its gradients obtained with particle image velocimetry measurements in solutions of water with dissolved polyethylene oxide of three different molecular weights (MWs), at various dilute concentrations and with flow Reynolds numbers from 35,000 to 210,000. We find that the local magnitudes of important turbulent flow variables correlate with the measured levels of DR irrespective of the flow Reynolds number, polymer weight, and concentration. Contour maps illustrate the spatial characteristics of this correlation. A relationship between the DR and the turbulent flow variables is found. The effects of the polymer MW, its concentration, and the Reynolds number on the flow are further examined through joint probability distributions of the fluctuations of the streamwise and spanwise velocity components.
Allogeneic hematopoietic stem cell transplantation from unrelated donors is associated with higher infection rates in children with acute lymphoblastic leukemia—A prospective international multicenter trial on behalf of the BFM‐SG and the EBMT‐PDWP
Authors: Pichler Herbert , Lawitschka Anita , Glogova Evgenia , Willasch Andre M. , von Luettichau Irene , Lehrnbecher Thomas , Matthes‐Martin Susanne , Lang Peter , Bader Peter , Sykora Karl W. , Schrum Johanna , Kremens Bernhard , Ehlert Karoline , Albert Michael H. , Kuhlen Michaela , Meisel Roland , Guengoer Tayfun , Strahm Brigitte , Gruhn Bernd , Schulz Ansgar , Woessmann Wilhelm , Poetschger Ulrike , Peters Christina
Published: May 2019

Severe infections (SI) significantly impact on non‐relapse mortality after hematopoietic stem cell transplantation (HSCT). We assessed 432 children and adolescents with acute lymphoblastic leukemia (ALL) after total body irradiation based myeloablative HSCT within the multicenter ALL‐BFM‐SCT 2003 trial for SI grade 3 or higher according to common terminology criteria for adverse events. A total 172 patients experienced at least one SI. Transplantation from matched unrelated donors (MUD) was associated with any type of SI in the pre‐engraftment period (hazard ratio [HR]: 2.57; P < .001), and with any SI between day +30 and + 100 (HR: 2.91; P = .011). Bacterial (HR: 2.24; P = .041) and fungal infections (HR: 4.06; P = .057) occurred more often in the pre‐engraftment phase and viral infections more often before day +30 (HR: 2.66; P = .007) or between day +30 and + 100 (HR: 3.89; P = .002) after HSCT from MUD as compared to matched sibling donors. Chronic GvHD was an independent risk factor for any type of SI after day +100 (HR: 2.57; P < .002). We conclude that allogeneic HSCT from MUD in children and adolescents with pediatric ALL is associated with higher infection rates, which seems attributable to an intensified GvHD prophylaxis including serotherapy and methotrexate.
Comparative chemical analysis of body odor in great apes
Authors: Jänig Susann , Weiß Brigitte M. , Birkemeyer Claudia , Widdig Anja
Published: May 2019

Olfaction is important across the animal kingdom for transferring information on, for example, species, sex, group membership, or reproductive parameters. Its relevance has been established in primates including humans, yet research on great apes still is fragmentary. Observational evidence indicates that great apes use their sense of smell in various contexts, but the information content of their body odor has not been analyzed. Our aim was therefore to compare the chemical composition of body odor in great ape species, namely Sumatran orangutans (Pongo abelii (Lesson, 1827), one adult male, five adult females, four nonadults), Western lowland gorillas (Gorilla gorilla gorilla (Savage, 1847), one adult male, two adult females, one nonadult), common chimpanzees (Pan troglodytes (Blumenbach, 1775), four adult males, nine adult females, four nonadults), and bonobos (Pan paniscus (Schwarz, 1929), two adult males, four adult females, two nonadults). We collected 195 samples (five per individual) of 39 captive individuals using cotton swabs and analyzed them using gas chromatography mass spectrometry. We compared the sample richness and intensity, similarity of chemical composition, and relative abundance of compounds. Results show that species, age, and potentially sex have an impact on the variance between odor profiles. Richness and intensity varied significantly between species (gorillas having the highest, bonobos the lowest richness and intensity), and with age (both increasing with age). Richness and intensity did not vary between sexes. Odor samples of the same species were more similar to each other than samples of different species. Among all compounds identified some were associated with age (N = 7), sex (N = 6), and species‐related (N = 37) variance. Our study contributes to the basic understanding of olfactory communication in hominids by showing that the chemical composition of body odor varies across species and individuals, containing potentially important information for social communication.
Morphologie‐optimierte hochaktive und ‐stabile Ru/TiO2‐Katalysatoren für die selektive CO‐Methanisierung
Authors: Chen Shilong , Abdel‐Mageed Ali M. , Li Dan , Bansmann Joachim , Cisneros Sebastian , Biskupek Johannes , Huang Weixin , Behm R. Jürgen
Published: May 2019

Ru/TiO2‐Katalysatoren sind sehr aktiv für die selektive Methanisierung von CO in CO2‐ und H2‐reichen Reformat‐Gasmischungen, werden aber während der Reaktion leicht deaktiviert. Diese Einschränkung kann mithilfe hoch‐aktiver und nicht deaktiviert werdender Ru/TiO2‐Katalysatoren über die gezielte Optimierung der Morphologie des TiO2‐Trägers überwunden werden. Anhand von hauptsächlich aus {001}‐, {100}‐ oder {101}‐facettierten Nanokristalliten bestehenden Trägern können wir zeigen, dass nach einer anfänglichen Aktivierungsperiode Ru/TiO2‐{100}‐ und Ru/TiO2‐{101}‐Katalysatoren sehr stabil sind, während Ru/TiO2‐{001} kontinuierlich deaktiviert wird. Mittels Operando/In‐situ‐Spektroskopie sowie Ex‐situ‐Charakterisierungsmethoden zeigen wir, dass dies auf Unterschiede in den Träger‐Metall‐Wechselwirkungen (MSIs) zurückzuführen ist. Die stärkeren MSIs auf den defektreichen TiO2‐{100}‐ und TiO2‐{101}‐Trägern stabilisieren nicht nur flache Ru‐Nanopartikel, im Unterschied zu den hemisphärischen Partikeln auf TiO2‐{001}, sondern führen auch zu einer elektronischen Modifikation der Ru‐Oberflächenatome, die wiederum in einer stärkeren Bindung von adsorbiertem CO auf diesen Katalysatoren resultiert.
Antibacterial, DFT and molecular docking studies of metformin complex as active material for the fabrication of copper (II) selective potentiometric sensor
Authors: Frag Eman Yossri , Mohamed Marwa E. , Mohamed Gehad G. , Fahim Elham M.
Published: May 2019

The prepared and characterized metformin ‐copper (II) complex was used as elecroactive material for modification of a new sensitive and selective modified carbon paste electrode (MCPE) for the potentiometric determination of copper (II) in water samples. The performance characteristics of MCPE were carried out. The electrode showed perfect potentiometric response for Cu (II) over concentration range of 1.0 × 10−6 – 5.0 × 10−2 mol L−1 with a detection limit of 1.0 × 10−6 mol L−1 with divalent slope value 30.8 ± 0.92 mV decade−1 over the pH range of 2–6 and exhibits fast response time of 9 s. Also, this electrode exhibited good selectivity towards Cu (II) ions with respect to other metal ions. The obtained results using the proposed electrode were in a good agreement with those obtained using the inductively coupled plasma (ICP) method.
Highly functional lactic acid ring‐opened soybean polyols applied to rigid polyurethane foams
Authors: Herrán Rodrigo , Amalvy Javier Ignacio , Chiacchiarelli Leonel Matías
Published: May 2019

We synthesized polyols with high hydroxyl functionalities (FOHs), between 9.0 and 12.6, and characterized them with differential scanning calorimetry, thermogravimetric analysis, and size exclusion chromatography after we parametrically studied the ring‐opening reaction of epoxidized soybean oil with lactic acid (LA) as a function of the reaction temperature and lactic acid equivalent fraction (fLA). An increase of only 20°C in the reaction temperature (from 80 to 100°C) caused changes in the hydroxyl number (+17.8%), FOH (–25%), viscosity (–14.0%), and oligomeric content (–24.1%). fLA mostly affected the ring‐opening yield, and only for fLA values above 0.4 was possible to achieve values higher than 80%. Rigid polyurethane foams (rPUFs) were synthesized and characterized with scanning electron microscopy, dynamic mechanical analysis (DMA), and compressive mechanical tests. rPUFs with a very high specific compressive strength (7.8 kPa kg–1 m3) were synthesized solely with biobased soybean oil. DMA revealed a compromised relationship between the specific compressive strength and its temperature dependence. To increase the first one, the most relevant method was to increase FOH. Instead, to increase the latter one, the OH number had to be maximized. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47959.
Environmentally friendly synthesis and photopolymerization of acrylated methyl ricinoleate for biomedical applications
Authors: Cakir Hatir Pinar , Cayli Gokhan
Published: May 2019

In this study, we aimed to develop an efficient synthesis and photopolymerization of acrylated methyl ricinoleate (AMR) for biomedical applications. During the first step of the synthesis, methyl ricinoleate (MR) and boric acid were esterified via azeotropic distillation in toluene. Afterward, MR–boric acid ester was acrylated with acrylic acid at 165 °C via a boric acid ester acidolysis reaction. The bulk photopolymerization of AMR was performed in the presence of the photoinitiator 2,2‐dimethoxy‐2‐phenyl acetophenone (DMPA) under 365 nm UV irradiation. Even with the use of 0.4% DMPA, a 35% monomer conversion was achieved within 30 min. Moreover, AMR, the plant‐oil‐based monomer, was also copolymerized with N‐isopropyl acrylamide to obtain thermoresponsive hydrogels on the glass surface for biomedical applications. The synthesized materials were characterized by Fourier transform infrared (FTIR) spectroscopy, 1H‐NMR spectroscopy, and thermal characterization via thermogravimetric analysis (TGA) and differential scanning calorimetry techniques. The surfaces were characterized by FTIR and Energy Dispersive X‐ray (EDS) spectroscopy. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47969.
Counting with the invisible record? The role of LiDAR in the interpretation of megalithic landscapes in south‐western Iberia (Extremadura, Alentejo and Beira Baixa)
Authors: Cerrillo‐Cuenca Enrique , Bueno‐Ramírez Primitiva
Published: May 2019

The megalithic sites from southwest Iberia represent one of the largest clusters of prehistoric monuments in Europe from the Neolithic and Copper Age (fifth and third millennia cal bc). Unlike other regions from western Europe, there has not been a recent effort to map the distribution of these kinds of burials across this vast territory. Therefore, this article aims to collect geographic information from three regions of southwest Iberia (Alentejo and Beira Baixa from Portugal and Extremadura from Spain) and to compare the archaeological evidence between different landscape units. We have mapped already known megaliths (ca 2000) and settlements (ca 1500) in this area. Moreover, through the interpretation of light detection and ranging (LiDAR) datasets, we have identified new walled enclosures and megaliths in the Extremadura region (Spain), the only one of the three where LiDAR data are available. The new data reveals new connections between settlements, burials and other archaeological evidence. Finally, we discuss the impact that these new data have on a new overall interpretation of megalithic landscapes from the Iberian Peninsula, stressing also the potential risks that the massive application of remote sensing can have in the production of archaeological knowledge.
Operationalising pedagogical content knowledge research in technology education: Considerations for methodological approaches to exploring enacted practice
Authors: Doyle Andrew , Seery Niall , Gumaelius Lena
Published: May 2019

Like many areas of curricula internationally, technology education has encountered difficulties in achieving continuity between the rhetoric of prevailing policy and the reality of enacted practices. In technology education, the conceptually oriented nature of curricular goals is theorised to play a significant part in influencing this relationship. One way in which investigations of this relationship have been approached is considering the application of pedagogical content knowledge (PCK) frameworks as a mechanism to understand the interaction of teachers’ knowledge and enacted practices. However, understanding from the philosophy of technology, and the technology education literature, suggests that technology education treats knowledge differently to many other disciplines. As a result of this, the interactions between teachers’ beliefs and knowledge are theorised to play a more significant role in influencing enacted practice in technology education. Building on this perspective, this article considers the need to investigate the roles of teachers’ knowledge and beliefs, and the interactions between these, in the investigation of enacted practice. Further to this, the article problematises the potential for a dominance of exploratory research, though acknowledging the need for research within different paradigms; a common frame of reference is advocated. In advocating a more holistic approach to investigating enacted practice, and the factors which may influence teachers’ enactment of teaching practice, it is envisioned that this article takes a step towards methodological coherence regarding the study of enacted practice in technology education.
Campus free speech is complicated, but not a crisis
Authors: Sutton Halley
Published: May 2019

College campuses are not experiencing a crisis of free speech — but politically active students have complicated the landscape, according to a new report on the issue from PEN America. The report was a response to President Donald Trump's March 2019 executive order on free speech, declaring that vocal students on the left objecting to conservative speakers on campus have impinged upon the right to free speech. Trump's executive order would cut federal research funding to public research institutions that do not comply with First Amendment obligations.
Functional hemodynamics assessment during endovascular Tibio‐pedal retrograde intervention of peripheral arterial disease
Authors: Kwan Tak W. , Parikh Sahil , Patel Apurva , Htun Wah Wah , Shah Sooraj , Huang Yili , Liou Michael , Ruzsa Zoltan
Published: May 2019

Objective

We sought to use a novel technique to measure the functional hemodynamics of peripheral arterial lesions during endovascular interventions.

Background

Functional hemodynamics has not been thoroughly evaluated during endovascular interventions. The aim of our study is to evaluate the feasibility and the potential benefits of pedal pressures measurements from tibio‐pedal access.

Methods

We retrospectively reviewed 100 consecutive patients who underwent endovascular interventions via tibio‐pedal artery access between October 3, 2018 and December 15, 2018. Baseline and postintervention pedal pressures from the pedal sheaths were measured. We also evaluated the pedal‐brachial index (PBI) which is defined as the pedal sheath pressure divided by the simultaneously brachial cuff pressure. We compared baseline pedal pressures, postintervention pedal pressures, baseline PBI, postintervention PBI, % change of PBI ([postintervention PBI minus baseline PBI]/baseline PBI), and resting ankle‐brachial index (ABI) versus baseline PBI in this cohort of patients.

Results

All 100 patients had successful tibio‐pedal artery access. Baseline pedal pressure was 70 + 30 mmHg with post intervention pedal pressure of 133 + 27 mmHg (p < .001). Baseline PBI was 0.75 + 0.24 with post intervention PBI of 1.09 + 0.19 (p < .001). The correlation coefficient of resting ABI vs. baseline PBI was 0.55. The % change of PBI was 63.2 + 52.4%. There was significant improvement of postintervention PBI when compared to baseline PBI in the majority of patients.

Conclusions

Obtaining pedal pressures and PBI from tibio‐pedal access can be a feasible tool for endovascular interventions. This simple technique can provide us important functional hemodynamics information before and after peripheral revascularization.
Electrophoretic Deposition of Tin Sulfide Nanocubes as High‐Performance Lithium‐Ion Battery Anodes
Authors: Bree Gerard , Geaney Hugh , Ryan Kevin M.
Published: May 2019

We report the use of assemblies of SnS nanocubes as lithium‐ion battery anodes. The particles are deposited in dense, conductive thin films with high gravimetric capacity using electrophoretic deposition, negating the requirement for binders or conductive additives. Although SnS nanocube ensembles display both alloying and conversion modes, a significant benefit to capacity retention during long‐term cycling was observed by limiting the upper cutoff voltage to 1 V. In this alloying‐only regime that is more realistic for practical use, a discharge capacity of 552 mAh g−1 was delivered with a loss of only 0.08 % per cycle observed over the 400 charge/discharge cycles. We further show that the Li2S formation that occurs in the first lithiation acts as a buffer to the expansion and contraction, though crucially this effect is optimized if this species is not cycled further (>1 V). The SnS nanocube electrodes are tested in both half‐cell (HC) and full‐cell (FC) configurations and are analyzed by using ex situ SEM and EIS analysis. Finally, the electrophoretic deposition of SnS nanocubes onto a 3D textured current collector is demonstrated to increase the mass loadings.
Metal‐Organic‐Framework‐Derived FeSe2@Carbon Embedded into Nitrogen‐Doped Graphene Sheets with Binary Conductive Networks for Rechargeable Batteries
Authors: Wang Jian , Kong Fanjun , Chen Jiyun , Han Zhengsi , Tao Shi , Qian Bin , Jiang Xuefan
Published: May 2019

Metal selenides have been widely studied as anodes for lithium‐ion batteries, owing to the excellent electrochemical performance. However, the large volume change and poor conductivity may lead to unsatisfactory cycling stability and rate capability. Herein, the FeSe2/carbon matrix nanoparticles embedded into N‐doped graphene sheets (NGS) are designed and synthesized through a two‐step method. When employed as anodes for lithium‐ion batteries, the FeSe2/C@NGS composites exhibit high reversible specific capacities and excellent cycling stabilities of 757.0 mAh g−1 after 100 cycles at 100 mA g−1 and 593.8 mAh g−1 after 1000 cycles at 2000 mA g−1. The carbon matrix and NGS construct binary conductive networks, which not only improve the inner conductivity of FeSe2 and conductivity between FeSe2/C nanoparticles, but also provide elastic buffer space to sustain the structural strain and accommodate the volume expansion and contraction of electrodes during the discharge and charge process. Furthermore, the reversible redox reaction of FeSe2 involves the formation of Fe and Li2Se during the cycling process. This work may open a new avenue for electrode material synthesis methodologies using metal‐organic frameworks as a template and to explore the lithium storage mechanisms of metal selenides for next‐generation batteries.
Functionalized Fluorophosphonium Ions
Authors: Olaru Marian , Schröder Artem , Albers Lena , Duvinage Daniel , Mebs Stefan , Beckmann Jens
Published: May 2019

Efforts to prepare an elusive donor‐free phosphenium ion, [R2P]+, led us to synthesize functionalized fluorophosphonium cations of the type [R2P(F)X]+ (X=SiEt3, H, F), which were obtained from the related neutral fluorophosphines R2PF and R2PF3 upon protonation and reaction with solvated [Et3Si]+ ions (R=2,6‐Mes2C6H3). The hypothetical reductive elimination of [R2P(F)SiEt3]+ and [R2P(F)H]+ affording [R2P]+, Et3SiF and HF, respectively, was calculated to be endothermic by 40.1 and 190.6 kJ mol−1.
Cloud SLA negotiation and re‐negotiation: An ontology‐based context‐aware approach
Authors: Labidi Taher , Mtibaa Achraf , Gaaloul Walid , Gargouri Faiez
Published: May 2019

Service Level Agreement (SLA) has recently garnered increasing attention in cloud computing due to its capability in the definition and the monitoring of the Quality of Service (QoS). SLA is generally generated following a process of negotiation in which the client chooses a subset of clauses among choices predefined by the provider on a “take it or leave it” basis. However, the heterogeneity between client requests and provider offers may result in inappropriate SLA. In addition, the cloud service context may change over the time, which causes a client requirement adjustment, and therefore, the SLA becomes unsatisfactory. In this paper, we propose a cloud SLA negotiation and re‐negotiation approach. Our aim is to ameliorate the SLA negotiation phase by adding the ability to integrate a semantic mapping between client requests and provider offers to generate a suitable SLA document. Moreover, our approach includes a context‐aware system to adapt the SLA throughout reasoning techniques and automatically ensure the re‐negotiation. We develop a prototype, and we test its performance. The results of a case study also show the efficiency of our approach.
Service load balancing, scheduling, and logistics optimization in cloud manufacturing by using genetic algorithm
Authors: Jafarnejad Ghomi Einollah , Rahmani Amir Masood , Qader Nooruldeen Nasih
Published: May 2019

Recent years have seen a great deal of attention in the aspects of cloud manufacturing. Generally, in cloud manufacturing, the capabilities and manufacturing resources that distributed in different geographical places are virtualized and encapsulated into manufacturing cloud services. The literature confirms that applying queuing theory to optimize service selection and scheduling load balancing (SOSL) while taking into account logistics is still scarce and an open issue for practical implementation of cloud manufacturing. This reason motivates our attempts to present a cloud manufacturing queuing system (CMfgQS) as well as a load balancing heuristic algorithm based on task process times (LBPT), simultaneously among the first studies in this research area. Hence, a novel optimization model as mixed‐integer linear programming is developed by implementing both CMfgQs and LBPT. Due to the natural complexity of the problem proposed, this study applies a genetic algorithm to solve the developed optimization model in large instances. Finally, the computational results ensure the effectiveness of the proposed model as well as the performance of the employed heuristic algorithm.
Sustainable Knowledge‐Driven Approaches in Transition‐Metal‐Catalyzed Transformations
Authors: Sanjosé‐Orduna Jesús , Mudarra Ángel L. , Martínez de Salinas Sara , Pérez‐Temprano Mónica H.
Published: May 2019

The sustainable synthesis of relevant scaffolds for their use in the pharmaceutical, agrochemical, and materials sectors constitutes one of the most urgent challenges that the chemical community needs to overcome. In this context, the development of innovative and more efficient catalytic processes based on a fundamental understanding of the underlying reaction mechanisms remains a largely unresolved challenge for academic and industrial chemists. Herein, selected examples of computational and experimental knowledge‐driven approaches for the rational design of transition‐metal‐catalyzed transformations are discussed.
Quantum chemistry computing for terahertz spectra of fatty acid ester
Authors: Kato Masamichi , Matsumoto Satoshi
Published: May 2019

Quantum chemistry computing is applied to estimate the Terahertz spectra of Fatty Acid Ester, which has group vibrations caused by intermolecular interactions, three‐dimensional structure of substances, and so on. The conformation and distribution of the molecule are very important to predict terahertz absorption spectra. Since ester oil consists of various molecular structures, Boltzmann statics is proposed to estimate the group vibration spectra in the paper. Measured spectrum approximately coincides with the simulation results. This method will be widely applicable to estimate the terahertz absorption properties.
Malondialdehyde, 4‐Hydroxy‐2‐Hexenal, and 4‐Hydroxy‐2‐Nonenal in Vegetable Oils: Formation Kinetics and Application as Oxidation Indicators
Authors: Ma Lukai , Liu Guoqin , Liu Xinqi
Published: May 2019

The formation of three toxic reactive aldehydes, malondialdehyde (MDA), 4‐hydroxy‐hexenal (HHE), and 4‐hydroxy‐2‐nonenal (HNE), is investigated in five commonly consumed vegetable oils using a method based on the Schaal oven test. HHE is only detected in linseed oil (LO) and rapeseed oil (RO), while MDA and HNE are found to be present in all tested oils. The formation potential of MDA, HHE, and HNE in the tested oils is closely related to the initial polyunsaturated fatty acid (PUFA) content in the oil. Correlation analyses reveal low correlation coefficients for MDA, determining its unsuitability to evaluate the oxidation of oils with low PUFA content, such as palm oil and camellia oil; in contrast, HHE and HNE show sufficient correlations with other oxidation indices in all tested oils. Furthermore, regression analysis indicates that HHE content can predict the oxidation of ω‐3 type oil, while HNE content can estimate oxidative deterioration of ω‐6 type oils. Particularly, HNE content can also evaluate the oxidation of ω‐9 type oils such as PO and CLO with relatively low PUFA level for the high correlations (>0.991, P < 0.01) toward the total oxidation value (TOTOX).

Practical Applications: Edible oil consumption continues to increase worldwide. Therefore, it is very important to understand the conditions under which potentially health‐damaging compounds are formed in these oils and to develop methods to inhibit their formation or eliminate them from the oils. This study investigates the formation of three toxically reactive aldehydes, namely MDA, HHE, and HNE, through lipid oxidation, specifically PUFA peroxidation. The application of these aldehydes as oxidation indicators for different vegetable oils is also explored. This work could prove beneficial for the quality control of vegetable oils in the edible oil industry.

The formation of three toxic aldehydes, MDA, HHE, and HNE in different types of vegetable oils is investigated. Considerable amounts of MDA, HHE, and HNE is found in all the tested oils. The results show the formation of these three aldehydes is competitive. Besides, MDA content is not appropriate to evaluate the oxidation of oils with low PUFA content, such as PO and CLO; while HHE and HNE can characteristically depict the oxidation of ω‐3 and ω‐6 type oil.
Antiproliferative and toxicogenomic effects of resveratrol in bladder cancer cells with different TP53 status
Authors: Almeida Tamires Cunha , Guerra Camila Chaves Coelho , De Assis Bárbara Letícia Gonçalves , de Oliveira Aguiar Soares Rodrigo Dian , Garcia Camila Carriao Machado , Lima Angélica Alves , da Silva Glenda Nicioli
Published: May 2019

The antitumor activity of resveratrol, a polyphenolic compound found mainly in grapes, has been studied in several types of cancer. In bladder cancer, its antiproliferative effects have already been demonstrated; however, its mechanism of action is not completely understood. The aim of this study was to evaluate resveratrol antitumor activity (12.5, 25, 50, 100, 150, 200, and 250 μM) and its possible mechanisms of action in bladder tumor cells with different TP53 gene status (RT4, grade 1, TP53 wild type; 5637‐grade 2 and T24‐grade 3, TP53 mutated). Cell proliferation, clonogenic survival, morphological changes, cell cycle progression, apoptosis rates, genotoxicity, global methylation, immunocytochemistry for p53 and PCNA and relative expression profiles of the AKT, mTOR, RASSF1A, HOXB3, SRC, PLK1, and DNMT1 were evaluated. Resveratrol decreased cell proliferation and induced DNA damage in all cell lines. Regarding the long‐term effects, resveratrol reduced the number of colonies in all cell lines; however, TP53 wild type cells were more resistant. Increased rates of apoptosis were found in the TP53 wild type cells and this was accompanied by AKT, mTOR, and SRC downregulation. In addition, the resveratrol antiproliferative effects in wild type TP53 cells were accompanied by modulation of the DNMT1 gene. In the TP53 mutated cells, cell cycle arrest at S phase with PLK1 downregulation was observed. Additionally, there was modulation of the HOXB3/RASSF1A pathway and nuclear PCNA reduction in the highest‐grade cells. In conclusion, resveratrol has antiproliferative activity in bladder tumor cells; however, the mechanisms of action are dependent on TP53 status. Environ. Mol. Mutagen., 60:740–751, 2019. © 2019 Wiley Periodicals, Inc.
Forecasting and nowcasting emerging market GDP growth rates: The role of latent global economic policy uncertainty and macroeconomic data surprise factors
Authors: Cepni Oguzhan , Guney I. Ethem , Swanson Norman R.
Published: May 2019

In this paper, we assess the predictive content of latent economic policy uncertainty and data surprise factors for forecasting and nowcasting gross domestic product (GDP) using factor‐type econometric models. Our analysis focuses on five emerging market economies: Brazil, Indonesia, Mexico, South Africa, and Turkey; and we carry out a forecasting horse race in which predictions from various different models are compared. These models may (or may not) contain latent uncertainty and surprise factors constructed using both local and global economic datasets. The set of models that we examine in our experiments includes both simple benchmark linear econometric models as well as dynamic factor models that are estimated using a variety of frequentist and Bayesian data shrinkage methods based on the least absolute shrinkage operator (LASSO). We find that the inclusion of our new uncertainty and surprise factors leads to superior predictions of GDP growth, particularly when these latent factors are constructed using Bayesian variants of the LASSO. Overall, our findings point to the importance of spillover effects from global uncertainty and data surprises, when predicting GDP growth in emerging market economies.
Identification of prognostic molecular biomarkers in 157 HPV‐positive and HPV‐negative squamous cell carcinomas of the oropharynx
Authors: Dogan Snjezana , Xu Bin , Middha Sumit , Vanderbilt Chad M. , Bowman Anita S. , Migliacci Jocelyn , Morris Luc G.T. , Seshan Venkatraman E. , Ganly Ian
Published: May 2019

The incidence of oropharyngeal squamous cell carcinoma (OPSCC) has been increasing due to high‐risk HPV infection. We explored the significance of genetic alterations in HPV‐positive (HPV‐P) and HPV‐negative (HPV‐N) OPSCC patients on long‐term outcome. A total of 157 cases of primary resected OPSCC diagnosed from 1978 to 2005 were subjected to a targeted exome sequencing by MSK‐IMPACT™ interrogating somatic mutations in 410 cancer‐related genes. Mutational profiles were correlated to recurrence and survival outcomes. OPSCC included 47% HPV‐positive (HPV‐P) and 53% HPV‐negative (HPV‐N) tumors arising in the base of tongue (BOT, 43%), palatine tonsil (30%) and soft palate (SP, 27%). HPV negative status, SP location and smoking were associated with poorer outcome. Poorer overall survival was found in NOTCH1‐mutated HPV‐P (p = 0.039), and in SOX2‐amplified HPV‐N cases (p = 0.036). Chromosomal arm gains in 8p and 8q, and 16q loss were more common in HPV‐P (p = 0.005, 0.04 and 0.01, respectively), while 9p, 18q and 21q losses were more frequent in HPV‐N OPSCC (p = 0.006, 0.002 and 0.01, respectively). Novel, potentially functional JAK3, MYC and EP300 intragenic deletions were found in HPV‐P, and FOXP1, CDKN2A, CCND1 and RUNX1 intragenic deletions and one FGFR3 inversion were detected in HPV‐N tumors. HPV‐N/TP53‐wild‐type OPSCC harbored recurrent mutations in NOTCH1/3/4 (39%), PIK3CA, FAT1 and TERT. In comparison to their oral and laryngeal counterparts, HPV‐N OPSCC were genetically distinct. In OPSCC, HPV status, tumor subsite and smoking determine outcome. Risk‐stratification can be further refined based on the mutational signature, namely, NOTCH1 and SOX2 mutation status.
Distinct oncogenes drive different genome and epigenome alterations in human mammary epithelial cells
Authors: Fonti Claire , Saumet Anne , Abi‐Khalil Amanda , Orsetti Béatrice , Cleroux Elouan , Bender Ambre , Dumas Michael , Schmitt Emeline , Colinge Jacques , Jacot William , Weber Michael , Sardet Claude , du Manoir Stanislas , Theillet Charles
Published: May 2019

Molecular subtypes of breast cancer are defined on the basis of gene expression and genomic/epigenetic pattern differences. Different subtypes are thought to originate from distinct cell lineages, but the early activation of an oncogene could also play a role. It is difficult to discriminate the respective inputs of oncogene activation or cell type of origin. In this work, we wished to determine whether activation of distinct oncogenic pathways in human mammary epithelial cells (HMEC) could lead to different patterns of genetic and epigenetic changes. To this aim, we transduced shp53 immortalized HMECs in parallel with the CCNE1, WNT1 and RASv12 oncogenes which activate distinct oncogenic pathways and characterized them at sequential stages of transformation for changes in their genetic and epigenetic profiles. We show that initial activation of CCNE1, WNT1 and RASv12, in shp53 HMECs results in different and reproducible changes in mRNA and micro‐RNA expression, copy number alterations (CNA) and DNA methylation profiles. Noticeably, HMECs transformed by RAS bore very specific profiles of CNAs and DNA methylation, clearly distinct from those shown by CCNE1 and WNT1 transformed HMECs. Genes impacted by CNAs and CpG methylation in the RAS and the CCNE1/WNT1 clusters showed clear differences, illustrating the activation of distinct pathways. Our data show that early activation of distinct oncogenic pathways leads to active adaptive events resulting in specific sets of CNAs and DNA methylation changes. We, thus, propose that activation of different oncogenes could have a role in reshaping the genetic landscape of breast cancer subtypes.
Functional remodeling of an electrospun polydimethylsiloxane‐based polyether urethane external vein graft support device in an ovine model
Authors: El‐Kurdi Mohammed , Soletti Lorenzo , McGrath Jonathan , Linhares Stephen , Rousselle Serge , Greisler Howard , Edelman Elazer , Schoen Frederick J.
Published: May 2019

Saphenous vein graft (SVG) failure rates are unacceptably high, and external mechanical support may improve patency. We studied the histologic remodeling of a conformal, electrospun, polydimethylsiloxane‐based polyether urethane external support device for SVGs and evaluated graft structural evolution in adult sheep to 2 years. All sheep (N = 19) survived to their intended timepoints, and angiography showed device‐treated SVG geometric stability over time (30, 90, 180, 365, or 730 days), with an aggregated graft patency rate of 92%. There was minimal inflammation associated with the device material at all timepoints. By 180 days, treated SVG remodeling was characterized by minimal/nonprogressive intimal hyperplasia; polymer fragmentation and integration; as well as the development of a neointima, and a confluent endothelium. By 1‐year, the graft developed a media‐like layer by remodeling the neointima, and elastic fibers formed well‐defined structures that subtended the neo‐medial layer of the remodeled SVG. Immunohistochemistry showed that this neo‐media was populated with smooth muscle cells, and the intima was lined with endothelial cells. These data suggest that treated SVGs were structurally remodeled by 180 days, and developed arterial‐like features by 1 year, which continued to mature to 2 years. Device‐treated SVGs remodeled into arterial‐like conduits with stable long‐term performance as arterial grafts in adult sheep.
Pyridine derivatives as anticancer lead compounds with Fatty Acid Synthase as the target: An in silico‐guided in vitro study
Authors: Amrutha Nisthul A. , Archana P. Retnakumari , Mohan Shankar G. , Anto Ruby John , Sadasivan C.
Published: May 2019

For the past few decades, structure‐based drug discovery (SBDD) has become an inevitable technique in the drug development process for screening hit compounds against therapeutic targets. Here, we have successfully used the SBDD approach viz. virtual high‐throughput screening to identify potential inhibitors against the Ketoacyl synthase (KS) domain of Fatty acid synthase (FASN). Overexpression of FASN, and subsequent enhancement of de novo lipogenesis is a key survival strategy of cancer cells. Hence, targeting lipid metabolism using FASN inhibitors has been considered as a promising method to induce metabolic stress, thereby posing a survival disadvantage to cancer cells. In the present study, we have successfully identified eight FASN inhibitors from Asinex Elite database by implementing in silico tools. Five of the hit compounds share a common ring structure, which enables characteristic binding interactions with FASN‐KS. Among them, in vitro validation showed that SFA 22637550 possesses significant FASN inhibitory activity and antiproliferative effect in human cancer cells of various origins. The maximum sensitivity was exhibited towards HepG2 hepatocellular carcinoma cells (IC50 = 28 µM). The mode of cell death was found to be apoptosis with a significant increase in SubG0 population without affecting any other phases of the cell cycle. The current study puts forward an excellent core structure for the development of potent FASN inhibitors for successfully targeting cancer cell metabolism, thereby causing selective cell death.
Fe3O4@SiO2@sulfated boric acid as superparamagnetic and recyclable nanocatalyst‐assisted, one‐pot,pseudofour‐component synthesis of 5‐amino‐2‐aryl‐3H‐chromeno[4,3,2‐de][1,6]naphthyridine‐4‐carbonitrile derivatives
Authors: Khosravi Zeynab , Mohammadi Hadi , Shaterian Hamid Reza
Published: May 2019

The catalytic performance of the superparamagnetic nanocatalyst Fe3O4@SiO2@Sulfated boric acid as a green, recyclable, and acidic solid catalyst in the synthesis of chromeno[4,3,2‐de][1,6]naphthyridine derivatives has been studied. Chromeno[4,3,2‐de][1,6]naphthyridine derivatives via apseudofour‐component reaction from aromatic aldehydes (1 mmol), malononitrile (2 mmol), and 2′‐hydroxyacetophenone in the presence of Fe3O4@SiO2@Sulfated boric acid (0.004 g) as a nanocatalyst in 3 mL of water as a green solvent at 80°C has been synthesized. The advantages of this method are higher product yields in shorter reaction times, easy recyclability and reusability of the catalyst, and easy work‐up procedures. The nanocatalyst was reused at least six times. The nanocatalyst retained its stability in the reaction, and after reusability, it was separated easily from the reaction by an external magnet.
BANOVA: Bayesian Analysis of Experiments in Consumer Psychology
Authors: Wedel Michel , Dong Chen
Published: May 2019

This article introduces a Bayesian extension of ANOVA for the analysis of experimental data in consumer psychology. The approach, called BANOVA (Bayesian ANOVA), addresses some common challenges that consumer psychologists encounter in their experimental work, and is specifically suited for the analysis of repeated measures designs. There appears to be a recent surge in interest in those designs based on the recognition that they are sensitive to individual differences in response to experimental treatments and that they offer advantages for assessing causal mediating mechanisms, even at the individual level. BANOVA enables the analysis of repeated measures data derived from mixed within–between‐subjects experiments with Normal and nonNormal‐dependent variables and accommodates unobserved individual differences. It allows for the calculation of effect sizes, planned comparisons, simple effects, spotlight and floodlight analyses, and includes a wide range of mediation, moderation, and moderated mediation analyses. An R software package implements these analyses, and aims to provide a one‐stop shop for the analysis of experiments in consumer psychology. The package is illustrated through applications to a number of data sets from previously published studies.
Observing the Effects of Temperature and Surface Roughness on Cetyltrimethylammonium Bromide Adsorption Using a Quartz‐Crystal Microbalance with Dissipation Monitoring
Authors: Hamon Joshua J. , Striolo Alberto , Grady Brian P.
Published: May 2019

The effects of temperature and surface roughness on the mass and viscoelasticity of an adsorbed surfactant layer were monitored using a quartz crystal microbalance with dissipation monitoring (QCM‐D). Adsorption isotherms at 30, 40, 50, and 60 °C and at two different roughnesses on gold were measured for cetyltrimethylammonium bromide (CTAB). All isotherms displayed an increase in mass and dissipation as surfactant concentration was increased to its critical micelle concentration (CMC). Above the CMC, adsorption reached a peak followed by a slight decrease to a plateau at the equilibrium adsorption value. As the temperature was increased, the adsorbed mass above the CMC decreased. The adsorbed mass decreased further by increasing substrate roughness, while the dissipation remained unchanged within experimental uncertainty. Dynamic adsorption experiments were also conducted at various temperatures for select concentrations above and below the CMC, providing evidence for the importance of different adsorption mechanisms as a function of both surfactant concentration and surface roughness.
Does gender matter for hotel performance? Evidence from the Italian hospitality industry
Authors: Menicucci Elisa , Paolucci Guido , Paoloni Niccolò
Published: May 2019

The purpose of this paper is to explore the relationship between gender and profitability in the Italian hospitality industry during the period 2008–2017. The study examines whether female executive managers have any significant effect on the performance of hotel firms. Gender differences result in female underperformance when performance is measured by firm size. Within a bivariate model, findings show few differences when growth and profitability are compared by gender. When a regression model is designed to control other performance determinants (demographic, financial, and family variables), women‐managed hotels outperform those managed by men for hotel growth.
Least‐squares mixed Galerkin formulation for variable‐coefficient fractional differential equations with D‐N boundary condition
Authors: Wang Feng , Chen Huanzhen , Wang Hong
Published: May 2019

We propose a least‐squares mixed variational formulation for variable‐coefficient fractional differential equations (FDEs) subject to general Dirichlet‐Neumann boundary condition by splitting the FDE as a system of variable‐coefficient integer‐order equation and constant‐coefficient FDE. The main contributions of this article are to establish a new regularity theory of the solution expressed in terms of the smoothness of the right‐hand side only and to develop a decoupled and optimally convergent finite element procedure for the unknown and intermediate variables. Numerical analysis and experiments are conducted to verify these findings.