bluuebunny/crossref_metadata_2025 huggingface dataset:
An approach of dynamic mesh adaptation for simulating 3‐dimensional unsteady moving‐immersed‐boundary flows
Authors: Peng B. , Zhou C.H.
Published: December 2017

In this paper, we present an approach of dynamic mesh adaptation for simulating complex 3‐dimensional incompressible moving‐boundary flows by immersed boundary methods. Tetrahedral meshes are adapted by a hierarchical refining/coarsening algorithm. Regular refinement is accomplished by dividing 1 tetrahedron into 8 subcells, and irregular refinement is only for eliminating the hanging points. Merging the 8 subcells obtained by regular refinement, the mesh is coarsened. With hierarchical refining/coarsening, mesh adaptivity can be achieved by adjusting the mesh only 1 time for each adaptation period. The level difference between 2 neighboring cells never exceeds 1, and the geometrical quality of mesh does not degrade as the level of adaptive mesh increases. A predictor‐corrector scheme is introduced to eliminate the phase lag between adapted mesh and unsteady solution. The error caused by each solution transferring from the old mesh to the new adapted one is small because most of the nodes on the 2 meshes are coincident. An immersed boundary method named local domain‐free discretization is employed to solve the flow equations. Several numerical experiments have been conducted for 3‐dimensional incompressible moving‐boundary flows. By using the present approach, the number of mesh nodes is reduced greatly while the accuracy of solution can be preserved.
Geological characteristics, deposit type, and metallogenic epoch of the Katebasu gold–copper deposit in western Tianshan
Authors: Liu Yunhua , Han Yixiao , Li Zhen , Mo Xuanxue , Huang Yu , Li Yuntao
Published: December 2017

The Katebasu gold (Au)–copper (Cu) deposit is one of the extra large‐scale Au–Cu deposits discovered in the western Tianshan Mountains in Xinjiang in the recent years. The geological characteristics of the deposit have not been systematically studied and summarized, and there is considerable debate about the deposit type and metallogenic epoch. In this paper, we studied the Katebasu Au–Cu deposit orebody production characteristics, ore mineral composition, structural tectonic, surrounding rock alteration, and metallogenic phases. We identified the deposit types, presented a new discussion on the metallogenic epoch combined with the study of garnet Sm–Nd chronology, and indicate that the deposit type is a skarn type–fracture zone alteration rock type. The skarn‐type Cu–Au deposit is mainly distributed in the fault fracture zone and skarn in the contact zone between the rock mass and marble strata. The fracture zone alteration‐type Au–Cu deposit is mainly distributed in the monzonite granite fracture zone. The mining area has two phases of metallogenesis, which are related to monzonite granite and diorite dykes, respectively, and have a certain degree of superposition in space. The early metallogenesis occurred at 334.3 ± 6.7 Ma. The above results provide direction for regional prospecting.
Coupled U–Pb dating and Hf isotopic analysis of detrital zircons from Bayan Obo Group in Inner Mongolia: Constraints on the evolution of the Bayan Obo rift belt
Authors: Zhou Zhiguang , Hu Mengmeng , Wu Chen , Wang Guosheng , Liu Changfeng , Cai Anran , Jiang Tian
Published: December 2017

The sedimentary record in the Late Palaeoproterozoic‐Neoproterozoic Bayan Obo rift belt can provide critical insight into tectonic evolution of Columbia and the North China Craton. In this study, we present new U–Pb geochronology, Hf isotopic analyses from the Bayan Obo Group, the Mesoproterozoic kimberlite, and gabbro to constrain the depositional age and potential provenance information of the Bayan Obo Group. We show that the Dulahala‐Jianshan, Bilute, and Baiyinbaolage formations were deposited at ca. 1.81–1.7 Ga, ca. 1.58–1.35 Ga, and ca. 1.25–1.0 Ga, respectively. Our data suggest the following potential provenance for sediments within the Bayan Obo Group: (a) The Khondalite Belt, Yinshan Block, and crystalline basement complex of the North China Craton to the south were the most potential provenance of the Dulahala and Jianshan formations during the initial deposition of Bayan Obo Group; (b) The Yinshan Block, and crystalline basement complex of the North China Craton, and local intermediate‐acid igneous rocks were the most potential provenance of the Bilute Formation; and (c) the local gabbro and volcanic rocks were the most potential provenance of the Baiyinbaolage Formation. Based on regional geologic constraints and the sedimentary history, we propose that the Northern Marginal Rift System probably represented several distinct rifting events. Furthermore, the Bayan Obo and Huade rift belts were active more recently than 1.0 Ga, which suggests that these rift systems were not only related to the rifting of the Columbia supercontinent. We propose that the Bayan Obo rift belt also records the rifting related to the breakup of Rodinia with the deposition of Qingbaikou System (Tonian) strata.
Geochemistry, geochronology, and petrogenesis of leucogranites in the Xiaogouli gold deposit in the West Qinling Orogen
Authors: Liu Yunhua , Han Yixiao
Published: December 2017

Gold metallogenesis is closely related to orogeny. The Qinling–Dabie Orogen is the most important part of the Central China Orogen. The West Qinling Orogen was formed during the Indosinian period, the main period of amalgamation of the continent of China. The Xiaogouli gold deposit in the West Qinling Orogen has unique geological characteristics, with a unique albite–quartz‐vein ore type and mineralization correlate well with the granites. The granites have relatively low concentrations of Sr and Yb (Sr < 400 ppm and Yb < 2 ppm) but relatively high Al content, with average Na2O/K2O of 1.86, indicating that they are Na‐rich Himalayan type leucogranites. The minimum temperature of the initial magma was 804 °C; amphibolite‐facies hornfelsization occurred in the contact zone, and there was micrographic texture widely developed in the potassium feldspar, indicating an initial high‐temperature magma. The granites have low Mg# content (4.07–14.28) and are strongly enriched in light rare earth elements [(La/Yb)N = (101.57–355.49)], suggesting that they had experienced some fractional crystallization. The zircon SHRIMP U–Pb granite ages of 217.4 ± 1.5 Ma indicate that the granites were formed during the late stage of Indosinian magmatic activity in the area. The Xiaogouli leucogranites are believed to be products of partial melting of crust–mantle mixing rocks under the condition of high temperature, induced by asthenosphere upwelling during delamination and thinning of the lithosphere in the extensional environment in the late stage of orogenesis of the West Qinling Orogen. The magma formation depth was 30–50 km. Then, the magma experienced crystal differentiation, and the metallogenic materials and fluids were mainly from the crust–mantle magmas.
Glial M6B stabilizes the axonal membrane at peripheral nodes of Ranvier
Authors: Bang Marie L , Vainshtein Anya , Yang Hyun‐Jeong , Eshed‐Eisenbach Yael , Devaux Jerome , Werner Hauke B , Peles Elior
Published: December 2017

Glycoprotein M6B and the closely related proteolipid protein regulate oligodendrocyte myelination in the central nervous system, but their role in the peripheral nervous system is less clear. Here we report that M6B is located at nodes of Ranvier in peripheral nerves where it stabilizes the nodal axolemma. We show that M6B is co‐localized and associates with gliomedin at Schwann cell microvilli that are attached to the nodes. Developmental analysis of sciatic nerves, as well as of myelinating Schwann cells/dorsal root ganglion neurons cultures, revealed that M6B is already present at heminodes, which are considered the precursors of mature nodes of Ranvier. However, in contrast to gliomedin, which accumulates at heminodes with or prior to Na+ channels, we often detected Na+ channel clusters at heminodes without any associated M6B, indicating that it is not required for initial channel clustering. Consistently, nodal cell adhesion molecules (NF186, NrCAM), ion channels (Nav1.2 and Kv7.2), cytoskeletal proteins (AnkG and βIV spectrin), and microvilli components (pERM, syndecan3, gliomedin), are all present at both heminodes and mature nodes of Ranvier in Gpm6b null mice. Using transmission electron microscopy, we show that the absence of M6B results in progressive appearance of nodal protrusions of the nodal axolemma, that are often accompanied by the presence of enlarged mitochondria. Our results reveal that M6B is a Schwann cell microvilli component that preserves the structural integrity of peripheral nodes of Ranvier.
Phase II trial of eribulin mesylate in recurrent or metastatic salivary gland malignancies
Authors: Rodriguez Cristina P. , Martins Renato G. , Baik Christina , Chow Laura Q. , Santana‐Davila Rafael , Goulart Bernardo H. , Lee Sylvia , Eaton Keith D.
Published: December 2017

Background

This study examined the microtubule inhibitor eribulin in recurrent/metastatic salivary gland cancers (RMSGCs), a disease where no therapeutic standard exists.

Methods

This phase II clinical trial treated patients with progressive recurrent/metastatic salivary gland cancers with eribulin 1.4 mg/m2 i.v. on days 1 and 8 of a 21‐day cycle until disease progression/unacceptable toxicities. The primary endpoint was the Response Evaluation Criteria in Solid Tumors (RECIST) version 1.1 objective response rate.

Results

Between May 2012 and August 2015, 29 patients were enrolled in this study. The median age was 63 years (range 34‐75 years) and 20 of the subjects were men (69%). The most common histologies were adenoid cystic carcinoma (ACC; n = 11) and adenocarcinoma (n = 4). Neutropenia was the most common toxicity (grade 3; n = 5; 17% and grade 4 n = 3; 10%). The objective responses were observed in 3 of 29 patients (10%), 20 of 29 patients (69%) demonstrated a decrement in tumor size, and disease control was observed in 26 of 29 patients (90%).

Conclusion

Although the objective responses to eribulin were uncommon, disease control was observed in the majority of patients.
Planning without action and action without planning? Examining a regional health system's efforts to improve patient flow, 1998–2013
Authors: Kreindler Sara A.
Published: December 2017

Most health care organizations engage in formal and informal planning, yet their improvement initiatives may remain disjointed and reactive. Research on organizational decision‐making has found that the “discovery” approach (seek and assess multiple options before selecting one) outperforms “idea imposition” (identify 1 option, then gather information to [dis]confirm it), yet is observed relatively infrequently. Might this imply that discovery frequently collapses before fruition?

This qualitative study sought to better understand the planning‐action disjunction, as observed in 1 organization, by comparing its planning processes against the discovery approach. It focused on a Canadian regional health system's recurrent, unsuccessful attempts to improve patient flow. Through extensive document review supplemented by interviews with 62 managers, it identified all relevant regional plans/reports produced during a 15‐year period and followed each recommendation forward in time to discover its fate.

Each report presented a lengthy, unprioritized list of disparate recommendations, few of which progressed to full implementation. It appeared that decision‐makers repeatedly embarked on a discovery approach, but rapidly allowed it to splinter into multiple idea‐imposition approaches; numerous options were generated, but never evaluated against each other. Thus, the product of each planning process was not a coherent strategy but a list of disconnected actions.
IS THERE ANY AGILITY IN SYSTEMS ENGINEERING?
Authors: Díaz Vargas Diego Armando , Baron Claude , Esteban Philippe , Alejandra Gutierrez Estrada Citlalih Yollohtli
Published: December 2017

Industry employs agile methods more widely, mainly in software development companies. This paper tackles the point of transferring agile methods from software to systems engineering, which raises several questions: Is the transfer immediate, and if not, what are the difficulties? Does the agility refer to the product, the processes, or the project? Do systems engineering standards promote or suggest a kind of agility? Among this panel of questions, a first natural step consists of analyzing if systems engineering standards and guides already include agility in the practices they recommend and what kind of agility. The paper thus focuses on the analysis of one of the most famous current systems engineering standards, the ISO/IEC/IEEE 15288 (2015), with the goal to detect any explicit or implicit reference to agility in this document.

Agile methods are beginning to spread in industry; these methods are mainly used in companies whose business is software development. Fields like systems engineering are contemplating these methods to manage the systems engineering technical processes and to lead projects in complex systems development, but some issues must be overcome before implementing such approaches in this domain. Agile methods really emerged with the dissemination of the Agile Manifesto in 2001; however, this document does not give any formal definition of the agile concept, and is clearly focused on software engineering. This paper thus tackles the point of transferring agile methods from software to systems engineering, that includes several questions: Is the transfer immediate? What are the difficulties? Does the agility refer to the product, the processes, or the project? Do systems engineering standards already implicitly consider a kind of agility? Among this panel of questions, a first natural step consists in asking if systems engineering standards and guides would already include any form of agility in the practices they recommend? This paper focuses on the analysis of one of the most famous current systems engineering standards, the ISO/IEC/IEEE 15288 (2015), with the goal to detect any explicit or implicit reference to agility in this document.
ASSESSING INTEROPERABILITY REQUIREMENTS IN NETWORKED ENTERPRISES: A MODEL‐BASED SYSTEM ENGINEERING APPROACH
Authors: Leal Gabriel , Guédria Wided , Panetto Hervé
Published: December 2017

When two or more systems work together, it is crucial to verify interoperability. Systems engineers should be working to continuously improve the ability to interoperate for maintaining a sustainable and efficient collaboration among the networked systems. Systems could benefit from the use of interoperability assessments for identifying their strengths and weakness as well as their compatibility with potential collaborative peer systems. However, the current assessment approaches do not explicitly define the interoperability requirements and their interdependencies. Acknowledging the different requirement dependencies supports the identification of impacts on the overall system, for example implications within a network caused by changes in the collaboration strategy or the introduction of a new information technology tool. Thus, based on model‐based systems engineering, this paper defines a networked enterprise as a system of systems (SoS) and proposes to use the SoS characteristics for identifying interoperability requirements and their dependencies. Further, we formalise and utilise inputs for an assessment tool.
PROCASEE: AN INNOVATIVE SOLUTION FOR SYSTEMS ENGINEERING EDUCATION
Authors: Bougaa Mohammed , Bornhofen Stefan , Rivière Alain
Published: December 2017

Teaching systems engineering is a very challenging task where the complexity of the engineered systems must be considered together with systems engineering complexity itself. This article illustrates a solution that can help train systems engineers with different levels of expertise, and that should be easily transmissible from a university to another, and from a specific engineering discipline to another. The article deals with both the proposed pedagogical approach, for systems engineering education, and its supporting web‐based platform, called ProCASEE. The proposed approach is based on the recommendations of academic and industrial communities. It is centered on the use of systems engineering standardized processes and at the same time very adaptive the learning context. Our proposal also provides the ability to make the learning scenarios driven by the acquired or to‐be‐acquired systems engineering competencies.
Effect of Drip Fertigation on Potato Productivity with Basal Application of Loss Control Fertilizer in Sandy Soil
Authors: Feng Zhiwen , Kang Yaohu , Wan Shuqin , Liu Shiping
Published: December 2017

To establish appropriate drip fertigation scheduling with loss control fertilizer (LCF) as a basal fertilizer in sandy soil, a 2‐year field study was conducted to evaluate the effects of five fertilizer levels (10, 30, 50, 70 and 90% of the recommended fertilizer dose (RFD) in 2012, and 10, 35, 60, 85 and 110% of RFD in 2013) on potato biomass, tuber yield and fertilizer and irrigation water productivity. All LCFs were applied as basal fertilizer while drip fertigation was applied when soil matric potential at 0.2 m depth under the emitters reached –25 kPa. Results showed 35–60% of RFD resulted in a better dry matter distribution between above ground and tubers during tuber bulking. Tuber yield initially increased and then decreased with increasing fertilizer rates in both seasons. The highest irrigation water productivity was for 50% of RFD in 2012 and 35% of RFD in 2013. Fertilizer productivity decreased slowly after fertigation level increased to about 50% of RFD. Therefore, 35–50% of RFD is suggested scheduling for potato production in sandy soils under drip fertigation with LCF as basal fertilizer in arid and semi‐arid regions in the north of China. Copyright © 2017 John Wiley & Sons, Ltd.
Downregulation of STRAP promotes tumor growth and metastasis in hepatocellular carcinoma via reducing PTEN level
Authors: Wu Qiong , Yu Shijun , Chen Jingde , Li Yandong , Gao Yong
Published: December 2017

The serine‐threonine kinase receptor‐associated protein (STRAP) has been implicated in multiple human cancers. However, its expression and function are currently unclear and controversial in different tissue types. In the present study, we report that aberrant downregulation of STRAP in hepatocellular carcinoma (HCC) facilitated tumor cell growth and metastasis in a phosphatase and tensin homologue (PTEN)‐dependent manner. Immunohistochemical analysis and quantitative real‐time polymerase chain reaction results indicated that STRAP was frequently downregulated in HCC samples. Functionally, knockdown of STRAP by RNA inference in HCC cells promoted proliferation and migration in vitro and tumorigenicity and lung metastasis in vivo. Through detecting the expression of some tumor‐related genes using western blot analysis, we found the tumor suppressor PTEN was decreased upon STRAP silencing. Further analyses demonstrated that silenced STRAP led to PTEN protein degradation. Immunohistochemical analysis revealed that STRAP expression was closely associated with PTEN expression in 30 cases of HCC samples. These findings strongly suggest that STRAP plays an inhibitory role in HCC via regulating PTEN expression and could be a potential therapeutic target for this disease. © 2017 IUBMB Life, 70(2):120–128, 2018
Measuring polarization changes in the human outer retina with polarization‐sensitive optical coherence tomography
Authors: Cense Barry , Miller Donald T. , King Brett J. , Theelen Thomas , Elsner Ann E.
Published: December 2017

Morphological changes in the outer retina such as drusen are established biomarkers to diagnose age‐related macular degeneration. However, earlier diagnosis might be possible by taking advantage of more subtle changes that accompany tissues that bear polarization‐altering properties. To test this hypothesis, we developed a method based on polarization‐sensitive optical coherence tomography with which volumetric data sets of the macula were obtained from 10 young (<25 years) and 10 older (>54 years) subjects. All young subjects and 5 of the older subjects had retardance values induced by the retinal pigment epithelium and Bruch's membrane (RPE‐BM) complex that were just above the noise floor measurement (5°‐13° at 840 nm). In contrast, elevated retardance, up to 180°, was observed in the other 5 older subjects. Analysis of the degree of polarization uniformity (DOPU) demonstrates that reduced DOPU (<0.4) in the RPE is associated with elevated double pass phase retardation (DPPR) below the RPE‐BM complex, suggesting that the observed elevated DPPR in older subjects is the result of increased scattering or polarization scrambling. Collectively, our measurements show that the outer retina can undergo dramatic change in its polarization properties with age, and in some cases still retain its clinically normal appearance.
Release of vancomycin and tobramycin from polymethylmethacrylate cements impregnated with calcium polyphosphate hydrogel
Authors: Zhou Zubin , Seta Joe , Markel David C. , Song Wei , Yurgelevic Sally M. , Yu Xiao Wei , Ren Weiping
Published: December 2017

The influence of calcium polyphosphate (CPP) gel incorporation on the release of vancomycin and tobramycin from polymethyl methacrylate (PMMA) cement (Simplex P, SP) has been studied. Adding 10% CPP gel to SP led to a much lower burst release of vancomycin and considerably extended release of both vancomycin and tobramycin up to 24 weeks. Antibiotics released from this new material retain their bactericidal activity for up to 15 weeks. The improvement in the antibiotic release is mainly due to the molecular interactions of antibiotics with embedded CPP polyphosphate chains as confirmed by Raman spectroscopy analysis. The inclusion of CPP hydrogel also increased the SP surface roughness and pore sizes, leading to a higher release rate of antibiotics. The new material is biocompatible and has similar handling properties and mechanical strength as compared to SP cements. We believe that incorporating CPP gel provides a better and usable drug carrier for PMMA cement. © 2017 The Authors Journal of Biomedical Materials Research Part B: Applied Biomaterials Published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 2827–2840, 2018.
Forskolin ameliorates mancozeb‐induced testicular and epididymal toxicity in Wistar rats by reducing oxidative toxicity and by stimulating steroidogenesis
Authors: Girish B.P. , Reddy P. Sreenivasula
Published: December 2017

In the present study, we have tested the beneficial effects of forskolin in protecting the mancozeb‐induced reproductive toxicity in rats. Adult male Wistar rats were exposed to either mancozeb (500 mg/kg body weight/day) or forskolin (5 mg/kg body weight/day) or both for 65 days and analyzed for spermatogenesis and steroidogenesis and testicular and epididymal oxidative toxicity. A significant decrease in daily sperm production, epididymal sperm count, motile, viable, and hypo‐osmotic swelling‐tail swelled sperm was observed in mancozeb‐treated rats. The activity levels of testicular 3β‐hydroxysteroid dehydrogenase and 17β‐hydroxysteroid dehydrogenase and circulatory testosterone levels were significantly decreased in mancozeb‐treated rats. Exposure to mancozeb resulted in a significant decrease in glutathione levels and superoxide dismutase and catalase activity levels with an increase in lipid peroxidation levels in the testes and epididymis. Coadministration of forskolin mitigated the mancozeb‐induced oxidative toxicity and suppressed steroidogenesis and spermatogenesis.
Exploring the relevance of thiophene rings as bridge unit in acceptor‐bridge‐donor dyes on self‐aggregation and performance in DSSCs
Authors: Zarate Ximena , Saavedra‐Torres Mario , Rodriguez‐Serrano Angela , Gomez Tatiana , Schott Eduardo
Published: December 2017

The possibility of dye charge recombination in DSSCs remains a challenge for the field. This consists of: (a) back‐transfer from the TiO2 to the oxidized dye and (b) intermolecular electron transfer between dyes. The latter is attributed to dye aggregation due to dimeric conformations. This leads to poor electron injection which decreases the photocurrent conversion efficiency. Most organic sensitizers are characterized by an Acceptor‐Bridge‐Donor (A‐Bridge‐D) arrangement that is commonly employed to provide charge separation and, therefore, lowering the unwanted back‐transfer. Here, we address the intermolecular electron transfer by studying the dimerization and photovoltaic performance of a group of A‐Bridge‐D structured dyes. Specifically, eight famous sulfur containing π‐bridges were analyzed (A and D remained fixed). Through quantum mechanical and molecular dynamics approaches, it was found that the formation of weakly stabilized dimers is allowed. The dyes with covalently bonded and fused thiophene rings as Bridges, 6d and 7d as well as 8d with a fluorene, would present high aggregation and, therefore, high probability of recombination processes. Conversely, using TiO2 cluster and surface models, delineated the shortest bridges to improve the adsorption energy and the stability of the system. Finally, the elongation of the bridge up to 2 and 3 units and their photovoltaic parameters were studied. These results showed that all the sensitizers are able to provide similar photocurrent outcomes, regardless of whether the bridge is elongated. © 2017 Wiley Periodicals, Inc.
Hydration of copper(II) amino acids complexes
Authors: Bukharov Mikhail S. , Shtyrlin Valery G. , Gilyazetdinov Edward M. , Serov Nikita Yu. , Madzhidov Timur I.
Published: December 2017

Hydration of the copper(II) bis‐complexes with glycine, serine, lysine, and aspartic acid was studied by DFT and MD simulation methods. The distances between copper(II) and water molecules in the 1st and 2nd coordination shells, the average number of water molecules and their mean residence times in the hydration shells were calculated. Good agreement was observed between the values obtained and those found by DFT and NMR relaxation methods. Influence of the functional groups of the ligands and the cis–trans isomerism of the complexes on the structural and dynamical parameters of the hydration shells was displayed and explained. Analysis of the MD trajectories reveals the competition for a copper(II) axial position between water molecules or water molecules and the functional chain groups of the ligands and confirms the suggestion on the pentacoordination of copper(II) in such complexes. MD simulations show that only one axial position of Cu(II) is basically occupied at each time step while in average the coordination number more than 5 is observed. © 2017 Wiley Periodicals, Inc.
Predicting stability limits for pure and doped dicationic noble gas clusters undergoing coulomb explosion: A parallel tempering based study
Authors: Ghorai Sankar , Chaudhury Pinaki
Published: December 2017

We have used a replica exchange Monte‐Carlo procedure, popularly known as Parallel Tempering, to study the problem of Coulomb explosion in homogeneous Ar and Xe dicationic clusters as well as mixed Ar–Xe dicationic clusters of varying sizes with different degrees of relative composition. All the clusters studied have two units of positive charges. The simulations reveal that in all the cases there is a cutoff size below which the clusters fragment. It is seen that for the case of pure Ar, the value is around 95 while that for Xe it is 55. For the mixed clusters with increasing Xe content, the cutoff limit for suppression of Coulomb explosion gradually decreases from 95 for a pure Ar to 55 for a pure Xe cluster. The hallmark of this study is this smooth progression. All the clusters are simulated using the reliable potential energy surface developed by Gay and Berne (Gay and Berne, Phys. Rev. Lett. 1982, 49, 194). For the hetero clusters, we have also discussed two different ways of charge distribution, that is one in which both positive charges are on two Xe atoms and the other where the two charges are at a Xe atom and at an Ar atom. The fragmentation patterns observed by us are such that single ionic ejections are the favored dissociating pattern. © 2017 Wiley Periodicals, Inc.
Pharmacokinetics and Safety of Momelotinib in Subjects With Hepatic or Renal Impairment
Authors: Xin Yan , Kawashima Jun , Weng Winnie , Kwan Ellen , Tarnowski Thomas , Silverman Jeffrey A.
Published: December 2017

Momelotinib is a Janus kinase 1/2 inhibitor in clinical development for the treatment of myelofibrosis. Two phase 1 open‐label, parallel‐group, adaptive studies were conducted to evaluate the pharmacokinetics of a single 200‐mg oral dose of momelotinib in subjects with hepatic or renal impairment compared with healthy matched control subjects with normal hepatic or renal function. Plasma pharmacokinetics of momelotinib and its major active metabolite, M21, were evaluated, and geometric least‐squares mean ratios (GMRs) and associated 90% confidence intervals (CIs) for impaired versus each control group were calculated for plasma exposures (area under concentration–time curve from time 0 to ∞ [AUC∞] and maximum concentration) of momelotinib and M21. There was no clinically significant difference in plasma exposures of momelotinib and M21 between subjects with moderate or severe renal impairment or moderate hepatic impairment and healthy control subjects. Compared with healthy control subjects, momelotinib AUC∞ was increased (GMR, 197%; 90%CI, 129%–301%), and M21 AUC∞ was decreased (GMR, 52%; 90%CI, 34%–79%) in subjects with severe hepatic impairment. The safety profile following a single dose of momelotinib was similar between subjects with hepatic or renal dysfunction and healthy control subjects. These pharmacokinetic and safety results indicate that dose adjustment is not necessary for momelotinib in patients with renal impairment or mild to moderate hepatic impairment. In patients with severe hepatic impairment, however, the dose of momelotinib should be reduced.
Impact of cellular restriction gene (TRIM5α, BST‐2) polymorphisms on the acquisition of HIV‐1 and disease progression
Authors: Singh HariOm , Samani Dharmesh , Ghate Manisha V. , Gangakhedkar Raman R.
Published: December 2017

Background

TRIM5α and BST‐2 are cellular restriction factors affecting the HIV‐1 infection and its progression. Genetic variability in these genes alters the expression pattern. Hence, we aimed to examine the impact of the TRIM5α (rs10838525, rs7127617 and rs904375) and BST2 (rs3217318 and rs71694748) polymorphisms on the acquisition of HIV‐1 and its progression.

Methods

Genotyping of TRIM5α and BST‐2 polymorphisms was performed in a total of 153 HIV‐infected patients and 158 unrelated healthy individuals using a polymerase chain reaction‐restriction fragment length polymorphism method.

Results

No significant differences were found in the genotype frequencies of TRIM5α polymorphisms between HIV patients and healthy controls. BST‐2 Δ19/i19 and i19/i19+ Δ19/i19 genotypes appeared more frequently in HIV patients compared to healthy controls (10.4% versus 7.0%, p = 0.20; 11.10% versus 7.6%, p = 0.16). The BST‐2 i19 allele was associated with the acquisition of HIV‐1 [odds ratio (OR) = 2.76, p = 0.030)]. TRIM5α haplotypes ATG and ACA elevated the risk, whereas haplotype ATA reduced the risk for the acquisition of HIV‐1 (OR = 1.92, p = 0.026; OR = 4.88, p = 0.016; OR = 0.31, p = 0.014). BST‐2 Δ19/i19 and i19/i19+ Δ19/i19 genotypes were more prevalent in patients with early HIV disease stage compared to healthy controls (15.9% versus 7.0%, p = 0.096; 15.9% versus 7.6%, p = 0.12). The prevalence of TRIM5α rs7127617 CC and BST‐2 Δ19/i19 genotypes was observed to be higher in alcohol‐using HIV patients compared to non‐users (27.8% versus 20.0%, p = 0.35, 22.2% versus 10.0%, p = 0.24).

Conclusions

TRIM5α haplotypes and the BST‐2 i19 allele may significantly affect the modulation of HIV‐1 acquisition and its progression. TRIM5α rs7127617 CC and BST‐2 Δ19/i19 genotypes in alcohol‐using HIV patients elevated the risk of HIV disease progression.
Differential outcomes of TLR2 engagement in inflammation-induced preterm birth
Authors: Cappelletti Monica , Lawson Matthew J , Chan Calvin C , Wilburn Adrienne N , Divanovic Senad
Published: December 2017

Preterm birth (PTB) is the leading cause of neonatal mortality worldwide. Infection and inflammation are considered main causes of PTB. Among multiple pathogens, Gram-positive bacteria are commonly linked with induction of PTB. Although activation of innate immune responses, via TLR2 engagement, by Gram-positive bacteria is a likely cause, whether induction of PTB depends on the potency of specific microbial components to induce Toll-like receptor (TLR)2-driven inflammation has not been elucidated. Here, we show that TLR2 activation by synthetic lipopeptides, Pam2Cys, and Pam3Cys specifically, variably influenced inflammation and subsequent induction of PTB. Pam2Cys challenge, compared to Pam3Cys, induced PTB and promoted significantly higher expression of inflammatory cytokines, specifically IL-6 and IFN-β, both in vivo and in vitro. Notably, antibody-mediated neutralization of IL-6 or genetic deletion of type I IFN receptor (IFNAR) was sufficient to protect from Pam2Cys-driven PTB and to temper excessive proinflammatory cytokine production. Conversely, IFN-β or IL-6 was not sufficient to promote induction of PTB by Pam3Cys. In summary, our data implies a divergent function of TLR2-activating lipopeptides in the magnitude and type of ligand-driven inflammatory vigor in induction of PTB.
Scientific Creativity: Divergent and Convergent Thinking and the Impact of Culture
Authors: de Vries Herie B. , Lubart Todd I.
Published: December 2017

This paper examines the contrast and distinction between divergent and convergent scientific creativity, and the paradoxical relationship of scientific creativity with cultural factors in elementary students. With a newly developed measure of potential for scientific creativity, EPoC Science (Lubart et al., in press), students produce ideas in response to scientific problems, and both divergent‐exploratory as well as convergent‐integrative processes involved in scientific creativity are analyzed. An empirical study (n = 118) was conducted in France with elementary school children (ages 7–10). The divergent‐exploratory task was scored for fluency and statistical uniqueness. For the convergent‐integrative task, the number of concepts that a student integrated and synthesized, and the originality of the synthesis were scored. Results showed that divergent and convergent task performances were weakly related to each other. This suggests that divergence and convergence are two relatively distinct processes for scientific creativity, and that the relation is more complex than commonly assumed. In terms of culture‐related variables, immigrant cultural background (number of family members born outside of France) was significantly and negatively correlated with the originality of divergent and convergent scientific creativity. Findings are discussed and educational implications are proposed.
Creative Reading in the Information Age: Paradoxes of Close and Distant Reading
Authors: van de Ven Inge
Published: December 2017

This article reflects on transformations of modes of reading in an information age, asking what “creative reading” entails in information‐intensive, multimodal environments. We currently face the challenge of the development of reading strategies that oscillate between “close” and “distant” reading. For years, these reading strategies have been a topic of debate between practitioners of Digital Humanities on the one hand, and “traditional” humanists on the other. This ongoing polemics presents reading methods in an unnecessarily polarized manner. I argue that creativity research can be operationalized to come to a more productive model to characterize the ways we read in an information age. I show that the “schism” between close and distant reading is structured around a number of apparent paradoxes that I unravel such as hyper‐ and deep attention/attention and distraction, and convergence and divergence. The paradox of creativity resides in the fact that we find convergence in divergence and vice versa, that the two by definition intertwine. Building on these concepts, I propose a model that considers reading in terms of scale variance. I suggest the humanities turn to creativity research and the interrelations between divergent‐exploratory and convergent‐integrative thinking (Lubart), for a conceptual framework that will allow us to train students on all levels how to read (and how and when not to read), in an information age.
Paradoxes of “creativity”: Examining the creative process through an antenarrative lens
Authors: Stierand Marc , Boje David M. , Glăveanu Vlad , Dörfler Viktor , Haley Usha C. V. , Feuls Miriam
Published: December 2017

Accounts of the creative process tend to be retrospective and implicitly ground the creative act within the person, the mind, the moment, the idea; in doing so, they often miss the larger sociomaterial qualities that can provide us with important insights about the social relationality and playfulness of the creative process. In this article, we examine the creative process through an antenarrative lens that we consider very useful for theorizing the creative process from a cultural and sociomaterial perspective. More specifically, we argue that ‘having an idea’ is a contextualized and embodied process that can be regarded as an antenarrative of the overall creative process. We also discuss how the paradoxical relation between the formative and sudden manifestations of the creative act can be understood through the notion of play.
Conference report—A report from the 5th International Taiwan Symposium on Raman Spectroscopy (TISRS 2017) and Taiwan Association of Raman Spectroscopy (TARS) Summer Camp
Authors: Huang Cheng‐Liang , Huang Chia‐Chi , Chen Wenlung
Published: December 2017

The 5th International Taiwan Symposium on Raman Spectroscopy (TISRS 2017) and Taiwan Association of Raman Spectroscopy (TARS) Summer Camp were held from June 27th to 30th at National Chiayi University in Taiwan. Four plenary speakers and 14 invited speakers, from France, Hong Kong, India, Italy, Japan, New Zealand, Taiwan, and United States, presented their research findings in TISRS in front of an audience of more than 200 participants from 12 countries. Thirty‐seven posters in biology and material sciences were exhibited at the symposium. Following TISRS, five experts delivered lectures to students in the summer camp. The mission of this congress was to promote continuous developments and applications of Raman spectroscopy, with a focus this year on surface‐enhanced Raman scattering (SERS), tip‐enhanced Raman spectroscopy (TERS), imaging methods, and their applications to molecular, biological, and nanomaterial sciences. This meeting also served as a platform for junior researchers to exhibit their recent studies. In this report, we highlight novel findings and perspectives in Raman spectroscopy that emerged in this symposium. The topics of lecture given in the summer camp are listed.
Investigation of solvation of ammonium salts: A Raman spectroscopy and ab initio study
Authors: Mukhopadhyay Anamika , Dubey Pankaj
Published: December 2017

The effect of dissolved salts on the hydrogen bonded network in water is extremely important to be understood, as it plays an important role in many aspects of structure and dynamics in aqueous solutions. We have undertaken a study of this phenomenon, using NH4Cl (AC) and (NH4)2SO4 (AS), as the salts for influencing the hydrogen bonded network in water. The effects of varying the temperature and concentration in these aqueous solutions of both the salts, on the Raman spectra were studied, over the wavenumber range 50–4000 cm−1. It was found that at 25 °C, with increasing AS concentration, a monotonic increase in intensity of spectral features on the low wavenumber side (~3200 cm−1 region) of the O–H stretching band was observed, whereas AC showed the opposite effect. A parameter (χstruct) is defined from the spectral data, which indicates that more hydrogen bonded network forms in presence of AS salt compared with AC salt, in aqueous solution. Temperature variation study also reveals that, presence of AC induces a more disordered network in aqueous solutions, than AS. To support these conclusions, we have performed ab initio calculation for the salt⋯nW species, where n = 1−8, using the MP2/6–31+G(d,p) level of theory. Solvent separated ion pair formation has been reported for NH4+ and Cl− ions, whereas NH4+ and SO42− ions remain as contact ion pair up to AS⋯8W cluster. This study helps understand the effect of salt water interaction at the molecular level and may have huge implications in atmospheric physics, geophysics, and ice crystallization.
Effect of harvest time on the levels of phytochemicals, free radical‐scavenging activity, α‐amylase inhibition and bile acid‐binding capacity of spinach (Spinacia oleracea)
Authors: Barkat Noorani , Singh Jashbir , Jayaprakasha Guddadarangavvanahally K , Patil Bhimanagouda S
Published: December 2017

BACKGROUND

Spinach is a green leafy vegetable that is rich in health‐promoting compounds. The present study analyzed the levels of phytochemicals and health‐promoting properties of spinach harvested at 20, 30, 40, 50 and 60 days after planting.

RESULTS

The time of harvest had a significant effect on nitrate levels, which increased from 1909 ± 70.6 µg g−1 (20 days) to 3668 ± 101.3 µg g−1 (40 days) and then decreased to 974 ± 164 µg g−1 (60 days). Lutein and chlorophylls a and b were found to be maximum at 60 days, whereas β‐carotene was higher at 50 days. Liquid chromatography/high‐resolution quadrupole time‐of‐flight tandem mass spectrometry (LC/HR‐QTOF‐MS) was used to identify 12 flavonoids, and their tentative fragmentation pathways have been proposed. Spinach harvested at 30 and 60 days exhibited significantly higher 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) and 2,2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS) free radical‐scavenging activities and inhibition of amylase. The levels of total phenolics ranged from 885 ± 35.1 to 1162 ± 112.4 µg g−1 in the samples. In vitro bile acid‐binding capacity showed that glycochenodeoxycholate and glycodeoxycholate were bound to maximum levels in all spinach samples.

CONCLUSION

The harvest time has a major effect on the levels of phytochemicals and health‐beneficial properties, which indicates that consumption of both baby and mature spinach will provide maximum health benefits. © 2017 Society of Chemical Industry
Chemical profiling of bioactive constituents in hop cones and pellets extracts by online comprehensive two‐dimensional liquid chromatography with tandem mass spectrometry and direct infusion Fourier transform ion cyclotron resonance mass spectrometry
Authors: Sommella Eduardo , Pagano Francesco , Salviati Emanuela , Chieppa Marcello , Bertamino Alessia , Manfra Michele , Sala Marina , Novellino Ettore , Campiglia Pietro
Published: December 2017

Humulus lupulus L. (hop) is highly interesting from a nutraceutical perspective. The hop phytocomplex contains a wide range of bioactive metabolites, and its characterization is challenging. To tackle such a task, for the first time we applied and compared a combined approach consisting of online comprehensive two‐dimensional liquid chromatography with tandem mass spectrometry and direct infusion Fourier transform ion cyclotron mass spectrometry. A reversed phase × reversed phase approach with a shifted gradient in the second dimension ensured selectivity and two‐dimensional space coverage. Hyphenation with an ion trap time‐of‐flight analyzer led to the identification of 83 compounds in 70 min, comprising a novel quercetin derivative and six unknown bitter acids. On the other hand, the direct infusion method was able to identify 40 analytes (except isomers) with high mass accuracy (≤ 0.1 ppm) in less than 1 min analysis time. The developed approach can be used in a complementary way, combining the separation capability and high informative spectra of two‐dimensional liquid chromatography tandem mass spectrometry with the ultra‐high mass accuracy of direct infusion, for potential compound discovery or the accurate profiling of bioactive compounds in different hop cultivars as well as for monitoring processing and storage of hop‐based products.
Air‐assisted dispersive liquid–liquid microextraction based on a new hydrophobic deep eutectic solvent for the preconcentration of benzophenone‐type UV filters from aqueous samples
Authors: Ge Dandan , Zhang Yi , Dai Yixiu , Yang Shumin
Published: December 2017

Deep eutectic solvents are considered as new and green solvents that can be widely used in analytical chemistry such as microextraction. In the present work, a new dl‐menthol‐based hydrophobic deep eutectic solvent was synthesized and used as extraction solvents in an air‐assisted dispersive liquid–liquid microextraction method for preconcentration and extraction of benzophenone‐type UV filters from aqueous samples followed by high‐performance liquid chromatography with diode array detection. In an experiment, the deep eutectic solvent formed by dl‐menthol and decanoic acid was added to an aqueous solution containing the UV filters, and then the mixture was sucked up and injected five times by using a glass syringe, and a cloudy state was achieved. After extraction, the solution was centrifuged and the upper phase was subjected to high‐performance liquid chromatography for analysis. Various parameters such as the type and volume of the deep eutectic solvent, number of pulling, and pushing cycles, solution pH and salt concentration were investigated and optimized. Under the optimum conditions, the developed method exhibited low limits of detection and limits of quantitation, good linearity, and precision. Finally, the proposed method was successfully applied to determine the benzophenone‐type filters in environmental water samples with relative recoveries of 88.8–105.9%.
Failure analysis of an oil pipe wall perforated by pitting corrosion
Authors: Zhang Shaohua , Hou Lifeng , Wei Huan , Wei Yinghui , Liu Baosheng
Published: December 2017

Failures of underground oil pipes caused by pitting perforation are investigated in this paper. The chemical composition of the failed oil pipe was analyzed by the direct reading spectrometer, which is in accordance with China national standard GB/T699‐1999 for 20 steel. The failed parts were investigated by means of visual observation, optical microscope (OM) and scanning electron microscope (SEM). Energy‐dispersive X‐ray spectroscopy (EDS) of the inner pits were conducted. The results indicate that the pit on the failed oil pipe is composed of three smaller circular pits, on which a fatigue striation‐like pattern suggests a repetitionary pitting corrosion process, while pitting corrosion in the vertical direction is more serious. The failed position was located in the underground ditch where carbon dioxide (CO2) deposited and underwent wetting and drying cycles with an alternative of rainy and sunny days. Combined with the environment of the oil pipe, the simulation experiment, and corresponding mechanism analysis was conducted to evolve the mechanism of pitting corrosion, initiated by the synergistic effect of CO2 and chloride ions (Cl−), and impelled the production of FeCO3 corrosion agents providing an isolated space in a short time, meanwhile chloride ions proceed to propagate continuously into the inner pit, which could explain pitting corrosion is more serious in the vertical direction.