bluuebunny/crossref_metadata_2025 huggingface dataset:
Field Trip D (27 September 2018): characteristics and development of the Mesozoic–Tertiary weathering mantle and Pleistocene periglacial slope deposits in the Hintertaunus mountainous region
Authors: Felix-Henningsen Peter
Published: August 2018

Abstract. The Devonian slates and sandstones of the Rhenish Massif were subject to deep and intensive weathering under (sub)tropical climate conditions during the Cretaceous, the Paleogene and the Neogene, which caused the development of a weathering mantle (regolith) >100 m thick, consisting of kaolinitic saprolite and paleosols as well as correlated sediments. Especially the tectonic uplift of the Rhenish Massif and climate change during the Neogene and the Pleistocene led to a vast denudation of the weathering mantle. Only in less uplifted areas of the mountainous region did thick remnants of saprolites remain, and they were covered by Neogene sediments as well as Quaternary periglacial slope deposits. As the kaolinitic weathering products serve as raw materials for the clay industry, unique exposures are available in the Hintertaunus which offer impressive insights into the landscape development of the past ∼80 million years: the excursion proceeds from Giessen to Limburg and further south and southwest to the eastern and western Hintertaunus area. At site 1 near the village of Langhecke, characteristics and properties of the fresh, unweathered slates will be demonstrated. Excursion sites 2 and 3 are situated near the village of Eisenbach. In two open-cast clay mines, both a terrestrial and a semi-terrestrial saprolite from silt slate, covered by periglacial layers, are exposed. Properties and genesis will be discussed on the basis of morphological characteristics and mineralogical and geochemical analyses, as well as isovolumetric elemental mass balances. At site 4 a former basalt quarry near the village of Biebrich exposes a Paleogene Plinthosol above saprolite. The autochthonous paleosol was preserved below Upper Oligocene basalt tuff and periglacial layers. Site 5 is situated within a huge pit for mining of Upper Oligocene to Miocene quartz gravel near the village of Wasenbach. A Miocene Plinthosol developed from alluvial sediments on top of the gravel beds and was covered by periglacial slope deposits. At nearly all sites the basal layers of the periglacial cover beds consist of kaolinitic paleosol/saprolite material, which has an important influence on the site properties of the Holocene soils.
Quality costing in articles published in Polish journals
Authors: Biadacz Renata
Published: August 2018

In the twentieth century, with the rapid changes in business practice, the importance of quality began to increase significantly, both from enterprises and customers perspective. The increased importance of quality and the emergence of new methods and tools supporting quality management has caused in-
creased attention to quality costs and quality costing systems. The aim of the article is to present the state of scientific achievements in the field of quality costing as one of the solutions supporting modern cost management. To achieve the purpose of this article, it was necessary to conduct literature analysis on the basis of selected books dealing with management accounting and quality management, as well as selected Polish journals. The articles were chosen from journals registered in BazEkon. The study covered the years 1977–2017, however, due to the varied access to journals, the study period differs for individual periodicals. The research made it possible to identify a research gap which refers to the context of a wider application of quality costing as an integral part of modern strategic systems of management accounting. The analysis shows that the quality cost calculation has been popular in Poland since the 1990s. Issues discussed in both scientific and practical publications prove that interest in this solution is still strong. In many publications the concepts of quality, quality costs and model approaches to the calculation of quality costs, prepared by the greatest authorities (so-called Quality Gurus) dealing with this issue are presented. However, there are also publications presenting authors' concepts in this area. The transformation of quality management and creation of many new tools supporting quality management resulted in a change in the nature of quality costing, which is now an integral part of the management process.
Convergence of Chinese accounting standards with IFRS
Authors: Martyniuk Teresa , Bójczuk Celina
Published: August 2018

The advancing globalization processes and the emergence of international corporations have contributed to the need for internationalization of accounting information. The international convergence of account-
ing standards has therefore become a necessity. The concentration of investors on the Chinese market, its development and the growth of international importance caused China to begin reforming its accounting system. This study fills the information gap regarding the evolution of accounting and financial reporting in China. The main goal of the study is to show the evolution of accounting regulations and their effects in China. In order to accomplish the main goal, the following auxiliary objectives were adopted in the article: indication of difficulties and obstacles in the introduction and application of new standards, analy-
sis of the scope of changes in relation to previous regulations and indication of differences in Chinese accounting standards in relation to IFRS. In addition, the study recounts ACCA's research to assess the quality of financial statements of Chinese enterprises after the introduction of new standards and the bene-fits of the harmonization process.
The conclusions from their analysis are definite: convergence with IFRS has significantly improved the quality of reported financial data. However, it should be emphasized that these benefits are not uniform. They are most visible in the production sector, among companies in which investors have greater demand for information and also among those that are more dependent on external capital.
Management accounting as an element of an integrated information system of an enterprise
Authors: SADOWSKA BEATA
Published: August 2018

When running a business, entrepreneurs need different information. Information is indispensable for making economic decisions and is crucial to the success of an enterprise. It is generated by the accounting system and sourced from business environment. Enterprises designing their information systems current-
ly pay attention to the fact that these are integrated systems, which are created by the financial and man-
agement accounting subsystems, often additionally supported by the controlling subsystem. The aim of this paper is to define the type of information needs of enterprises and to indicate the possibility of apply-
ing solutions in the field of management accounting as a source of management information in an organi-
zation. For the purposes of the study, the following thesis was adopted: „Financial accounting mainly generates ex post financial information for reporting and control purposes, therefore it should not be the only element of an integrated information system of an organization. The modern enterprise also needs ex ante information for management purposes and non-financial information that can be provided by management accountingˮ. The research methods used were: critical analysis of literature, observation, primary quanti-tative research – a questionnaire survey, analysis of phenomena and synthesis of results. The results of empirical research enabled the identification of accounting tools that may contribute to the generation of information in these areas. Key instruments of management accounting, according to the answers provided by the respondents, are: budgets (sales, revenues, costs), variable costing, break-even analysis, safety mar-gin, activity based costing.
Characterization of Molecular Subtypes of Paget Disease of the Breast Using Immunohistochemistry and In Situ Hybridization
Authors: Wachter David L. , Wachter Peter W. , Fasching Peter A. , Beckmann Matthias W. , Hack Carolin C. , Riener Marc-Oliver , Hartmann Arndt , Strehl Johanna D.
Published: August 2018

Context.—

Paget disease of the breast, in most cases, represents intraepidermal spread of ductal carcinoma in situ. Molecular subtypes of invasive carcinoma of the breast have prognostic and therapeutic significance and show characteristic distribution. Little is known about the distribution of molecular subtypes in Paget disease of the breast.

Objectives.—

To examine the distribution of molecular subtypes in Paget disease of the breast and to compare them to concurrent invasive carcinoma of the breast, if present.

Design.—

We examined 48 cases of Paget disease of the breast with immunohistochemistry and antibodies against estrogen and progesterone receptors, human epidermal growth factor receptor 2 (HER2), and Ki-67, as well as HER2 chromogenic in situ hybridization, to classify the cases into molecular subtypes. Then, we compared the results to the molecular subtypes of associated invasive carcinoma of the breast, if present.

Results.—

The HER2 subtype was the most common found in Paget disease of the breast, followed by the luminal B subtype and 2 cases of the triple-negative subtype. The associated invasive carcinoma cases were most often of the luminal B subtype, followed by the HER2 subtype and the triple-negative subtype. The molecular subtype of Paget disease and invasive carcinoma was congruent in most of the cases.

Conclusions.—

Molecular subtypes of invasive carcinoma of the breast can already be detected in Paget disease. The distribution of molecular subtypes of Paget disease and of Paget disease–associated invasive carcinoma differs from invasive carcinoma without associated Paget disease, with the HER2 subtype overrepresented in Paget disease and associated invasive carcinoma and the luminal and triple-negative subtypes underrepresented.
Presidential Address. Confronting Our Colonial Past: Reassessing Political Alliances over Canada’s Twentieth Century
Authors: Sangster Joan
Published: August 2018

This article examines examples of settler-initiated political alliances with Indigenous peoples in Canada over the twentieth century, placing them in their social and historical context, and assessing their insights as well as ideological and material limitations. I explore four very different examples, ranging from protests over the dispossession of land to attempts to preserve Indigenous cultures to the post-World War II organization of the Indian Eskimo Association and youth Indigenous projects associated with the Company of Young Canadians. Past settler efforts to create alliances or speak on behalf of Indigenous peoples incorporated multiple intentions and political ideas; they included both efforts at advocacy and partnership and paternal replications of colonial thinking. Assessing their complex histories is an important part of our efforts to grapple critically with Canada’s history of colonialism.
Débats politiques et prise de parole citoyenne : la création de la Société nationale de l’amiante
Authors: Savard Stéphane
Published: August 2018

Le débat entourant la création de la Société nationale de l’amiante (SNA) en 1978, dernière intervention d’envergure dans le secteur des richesses naturelles à l’époque de la Révolution tranquille, s’inscrit dans un contexte particulier. Pourtant favorable au principe de démocratie participative qui transcende les grands processus d’audiences publiques mis sur pied depuis son élection, le gouvernement Lévesque se montre réticent à faire de même pour sa toute nouvelle politique de l’amiante, dont le projet de loi 70 mettant sur pied la SNA représente la principale pièce maîtresse. Pourquoi? L’objectif de cet article est d’analyser les débats politiques entourant le projet de création de la SNA et d’étudier la prise de parole citoyenne qui s’exprime lors du processus balisé d’audiences publiques en commission parlementaire. Si l’article montre une profonde division entre les responsables politiques du gouvernement Lévesque et ceux des partis d’Opposition, ces derniers employant même la tactique parlementaire de filibuster afin d’exprimer leur malaise devant le projet de nationalisation partielle de l’amiante, il souligne toutefois un relatif consensus auprès des groupes et organismes régionaux qui interviennent sur invitation à la Commission afin de donner leur appui partiel ou quasi-total au projet de loi. Ce faisant, l’article analyse le rôle joué par la prise de parole citoyenne dans le débat parlementaire sur la nationalisation de l’amiante, expliquant ainsi à quel point il a servi le gouvernement Lévesque dans son processus de prise de décision étatique.
“A Deplorable Speech”: The Liberal Party vs. Anti-Catholicism during the Alexander Mackenzie Administration, 1873–1878
Authors: Forbes James
Published: August 2018

After decades of raising the “no popery” cry and fighting for the strict separation of church and state, Canada’s Liberal Party leaders began in the 1870s to distance themselves from their previous reputation for anti-Catholicism and from their hardline approach to church-state policy. This article examines the Alexander Mackenzie administration’s response to the Argenteuil Speech of 1875, in which Liberal cabinet minister Lucius Huntington called for all Protestants to unite with liberal Catholics to challenge the Roman Catholic Church’s rising political influence in Canada. Although several prominent Protestants applauded the speech, and Prime Minister Mackenzie himself privately admitted his agreement, the administration publicly condemned the speech as anti-Catholic and effectively crushed Huntington’s vision for the party. By forcing the party leaders to choose between their historic principles and their broader electoral appeal, Huntington’s “deplorable speech” facilitated a turning point in the Liberal Party’s approach to religious matters.
The Place of Mad People and Disabled People in Canadian Historiography: Surveys, Biographies, and Specialized Fields
Authors: Reaume Geoffrey
Published: August 2018

This article will consider the extent to which mad and disabled people’s histories have, or have not, been included in studies of Canada’s past, including in surveys, biographies and specialized fields. The purpose is to understand when, where and how people deemed mad or disabled have been excluded or included in broader discussions of Canadian history and how the recent growth of mad people’s history and disability history in Canada can influence historiographical developments. There will also be a discussion of how both fields are directly related since people deemed mad were and are to this day categorized under the broad scope of disability, just as are people with physical, sensory and intellectual disabilities. Consideration will also be given to how this field of inter-disciplinary research has benefited from work by researchers who do not necessarily identify as historians in either field but whose work has contributed to these areas, such as through the scholarship of medical historians. The ultimate aim of this paper is to advocate for mad and disabled people’s histories to become incorporated more widely beyond these specialized fields when interpreting Canada’s past.
Dimensão ético-social: memória subversiva de um Deus Crucificado
Authors: Estanislau Gasda Élio
Published: August 2018

O Cristianismo contém uma dimensão social evidente e se caracteriza fundamentalmente como uma religião ética. Para desenvolver essa tese, o artigo parte de três considerações prévias: a ética sempre é social; toda reflexão teológica contém uma dimensão histórica-social; a sociedade, a academia e o Estado, como interlocutores, exigem uma postura aberta e dialogal por parte do teólogo. A partir do Evento Cristo, o texto discorre sobre conceitos nucleares da teologia: imagem de Deus, a historicidade de Jesus e a ética do Reino, a centralidade dos abandonados ao sofrimento, dimensão socioestrutural do pecado do mundo. Ora, se a origem do Cristianismo se deve à memória subversiva de um Deus Crucificado, conclui-se que uma teologia desprovida da dimensão ético-social não encontra justificação alguma na Revelação. Portanto, a dimensão ético-social da teologia cristã brota do núcleo do Mistério da Revelação.
Second cancer risk after radiation therapy of ependymoma using the flattening filter free irradiation mode of a linear accelerator
Authors: Alvarez Moret Judit , Obermeier Tina , Pohl Fabian , Loeschel Rainer , Koelbl Oliver , Dobler Barbara
Published: August 2018

Pediatric patients suffering from ependymoma are usually treated with cranial or craniospinal three‐dimensional (3D) conformal radiotherapy (3DCRT). Intensity‐modulated techniques spare dose to the surrounding tissue, but the risk for second malignancies may be increased due to the increase in low‐dose volume. The aim of this study is to investigate if the flattening filter free (FFF) mode allows reducing the risk for second malignancies compared to the mode with flattening filter (FF) for intensity‐modulated techniques and to 3DCRT. A reduction of the risk would be advantageous for treating pediatric ependymoma. 3DCRT was compared to intensity‐modulated radiation therapy (IMRT) and volumetric‐modulated arc therapy (VMAT) with and without flattening filter. Dose–volume histograms (DVHs) were compared to evaluate the plan quality and used to calculate the excess absolute risk (EAR) to develop second cancer in the brain. Dose verification was performed with a two‐dimensional (2D) ionization chamber array and the out‐of‐field dose was measured with an ionization chamber to determine the EAR in peripheral organs. Delivery times were measured. Both VMAT and IMRT achieved similar plan quality in terms of dose sparing in the OAR and higher PTV coverage as compared to 3DCRT. Peripheral dose in low‐dose region, which is proportional to the EAR in organs located in this region, for example, gonads, bladder, or bowel, could be significantly reduced using FFF. The lowest peripheral EAR and lowest delivery times were hereby achieved with VMATFFF. The EAR calculated based on DVH in the brain could not be reduced using FFF mode. VMATFFF improved the target coverage and homogeneity and kept the dose in the OAR similar compared to 3DCRT. In addition, delivery times were significantly reduced using VMATFFF. Therefore, for radiotherapy of ependymoma patients, VMATFFF may be considered advantageous for the combination of Elekta Synergy linac and Oncentra External Beam planning system used in this study.
Laser Drop on Demand Micro Joining − Analytic Process Model to Quantify Braze Absorptance and Cumulative Energy Balance
Authors: Stein Stefan , Schaumberger Kerstin , Frick Thomas , Roth Stephan , Schmidt Michael
Published: August 2018

Laser drop on demand joining is used for high temperature applications particularly tailored for temperature stable joining of electrode structures of piezo actuators with copper wires. The process is developed, since the generated joints are able to withstand the temperatures occurring during aluminum die‐casting, which is a proposed technology to integrate sensor or actuator functionalities into structural aluminum components. The process is based on melting a spherical copper based braze preform (CuSn12) with a liquidus temperature of 989.85 °C. The preform is induced into a capillary and subsequently molten by a laser pulse. After reaching liquidus temperature, the droplet is ejected from the capillary by inert gas overpressure and wets the surface of the electrode structure and the copper wire, where it results in a firm joint after solidification. In order to be able to estimate the cumulative energy balance during the melting and detachment of the braze material, an analytical model is established in the scope of this work, enabling for the first time to indirectly quantify the braze spheres reflectivity as well as its loss of thermal energy due to convection, radiation, and conduction in situ. The analytic model is verified by experiments. The insights gained, may be applied to investigate other laser based metal joining processes like welding, as it is almost impossible to quantify reflectivity or thermal energy losses directly during the welding process.
Functionalized Compounds for Micro‐Injection Molded Piezo Modules (μIMP‐Modules) and Their Electrical Contacting
Authors: Decker Ricardo , Heinrich Michael , Reindel Paul , Sockol Steve , Päßler Erik , Kroll Lothar
Published: August 2018

Multi‐component micro‐injection molding enables the manufacturing of active elements as well as electrical contacting in situ and in a single process by using piezo active and electroconductive plastic compounds. Each compound is functionalized with filler materials according to its special demands. To this end, polypropylene (PP) with an electromechanical active filler based on piezoceramic powder (PZT: Lead zirconate titanate) for sensor functionality as well as PP with electroconductive properties based on carbon nanotubes (CNT) and carbon black (CB) for electrical contacting are investigated. Therefore, different compound compositions are analyzed with regard to their mechanical and electrical properties as well as their mechanical compatibility. For the analyses, micro injection molded samples of the different compounds are used. Furthermore, investigations on composite strength are conducted by measuring interlaminar shear strength between the functionalized compounds. Based on the material characterization, a simulation of the thermomechanical behavior is done and the process‐related residual stresses are analyzed. To achieve the prerequisites for fabricating sensor modules in mass production, the functionalized compounds should be processed by means of the two‐component micro‐injection molding technology. According to this, the objective target is a large‐scale integration of these piezo modules into multifunctional lightweight structures. Therefore, the modules are combined with electrically functionalized textile substrates creating semi‐finished products with sensor functionalities. The mechanical and electrical connections are created by ultrasonic welding. Applying this technology requires a manufacturing study with varying process parameters of joining force, amplitude and welding time with the aim of achieving minimal electrical contact resistance.
Effect of Symmetry Breaking on Interlayer Exchange Coupling and Electrical Conduction in SrRuO3–PrMnO3 Superlattices
Authors: Sahoo Antarjami , Prellier Wilfrid , Padhan Prahallad
Published: August 2018

The breaking of orthorhombic to tetragonal crystal symmetry is realized by increasing the PrMnO3 layer thickness in the superlattices consisting two ferromagnets, SrRuO3 and PrMnO3. The octahedral rotation pattern is a+c−c− and a0a0c− type for the superlattices with orthorhombic and tetragonal phase, respectively, inferred in the simulated projected density of states. The 15% reduction in orbital occupancy due to the a0a0c− type octahedral rotation compared to that of the a+c−c− type suggests the presence of stronger antiferromagnetic (AFM) coupling. The larger orbital overlapping leads to a stronger spin–orbit coupling, associated with a shift of 42.8% of the minor in‐plane field cooled (FC) magnetic hysteresis loop(M(H)) along the magnetization axis in orthorhombic superlattices. While, minor in‐plane FC M(H) shifts along the field axis due to the strong AFM coupling in tetragonal superlattices. In field‐dependent magnetoresistance, the rotation of spins in the antiferromagnetically coupled interfacial layers is detected as a unique anomaly, which is stronger in the superlattices for the biased spins and tetragonal symmetry than the pinned spins and orthorhombic symmetry. The results demonstrate that the tuning of interfacial exchange coupling and spin‐dependent transport by controlling structural distortion could be used as a tool in fabricating modern spintronics‐based devices.
Recent Advances in Ruthenium(II)‐Catalyzed C−H Bond Activation and Alkyne Annulation Reactions
Authors: Duarah G. , Kaishap P. P. , Begum T. , Gogoi S.
Published: August 2018

In the last few decades, the transition metal‐catalyzed activation of inert C−H bonds has led to a fundamental change in the field of synthetic chemistry. Most of these C−H activation reactions deal with simple functionalizations or additions. However, recent years have witnessed an increase of the transition metal‐catalyzed activation of C−H bond and annulation reactions. These annulation reactions are appealing to the organic chemist as they afford highly valuable cyclic compounds in a rapid and sustainable manner from readily available compounds. This review article attempts to highlight the recent advances in the ruthenium metal‐catalyzed C−H bond activation and alkyne annulation reactions.

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Recent Developments in Transition Metal‐Catalyzed Dearomative Cyclizations of Indoles as Dipolarophiles for the Construction of Indolines
Authors: Huang Guanghao , Yin Biaolin
Published: August 2018

Fused polycyclic indoline skeletons are found in many natural products and bioactive molecules. Several approaches, including dearomative cyclization of functionalized indoles, have been developed for the rapid synthesis of these skeletons. As a result of extensive research over the past few decades, numerous elegant and efficient protocols for the transition metal‐catalyzed dearomative cyclization of indoles to afford indolines have been reported, and recent developments in this area are discussed in detail in this review.

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Ruthenium (II)‐Catalyzed Oxidant‐Free Coupling/Cyclization of Benzimidates and Sulfoxonium Ylides to Form Substituted Isoquinolines
Authors: Shi Xinxia , Wang Rongchao , Zeng Xiaofei , Zhang Yilan , Hu Huiling , Xie Chunsong , Wang Min
Published: August 2018

A ruthenium‐catalyzed direct mono‐C−H functionalization/annulation cascade reaction of benzimidates and sulfoxonium ylides has been developed. The reaction proceeds smoothly with a broad range of substrates, giving access to a variety of isoquinoline derivatives in moderate to good yields using an organic acid additive under oxidant free conditions.

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Large‐Area CVD‐Grown MoS2 Driver Circuit Array for Flexible Organic Light‐Emitting Diode Display
Authors: Woo Youngjun , Hong Woonggi , Yang Sang Yoon , Kim Ho Jin , Cha Jun‐Hwe , Lee Jae Eun , Lee Khang June , Kang Taegyu , Choi Sung‐Yool
Published: August 2018

2D‐layered transition metal dichalcogenides (TMDCs) such as molybdenum disulfide (MoS2) are promising materials for next‐generation active matrix organic light‐emitting diode (AMOLED) display technology owing to their high mobility and large bandgap size. However, practical applications of TMDCs in driving circuits for flexible displays remain challenging because of the lack of high‐quality large‐area thin films and suitable fabrication processes. Here, millimeter‐scale large‐area bilayer or trilayer MoS2 thin films are synthesized through chemical vapor deposition (CVD) and an AMOLED driver circuit array consisting of bottom‐gate staggered CVD‐grown MoS2 thin‐film transistors is fabricated on a flexible polyimide substrate. The flexible driver circuit exhibits a stable switching and driving operation under tensile strain induced by a bending radius of 3.5 mm, showing field‐effect mobilities of up to ≈9 cm2 V−1 s−1, large ON‐state current density (up to ≈5 µA µm−1), and high ON/OFF‐state drain current ratio (maximum value of over 108) with an operating gate voltage below 10 V. The results demonstrate that MoS2 backplanes are among the promising candidates for next‐generation deformable and transparent AMOLED displays.
Kann ein Keton reaktiver als ein Aldehyd sein? Katalytische asymmetrische Synthese von substituierten Tetrahydrofuranen
Authors: Lee Sunggi , Bae Han Yong , List Benjamin
Published: August 2018

O‐Heterocyclen mit tetrasubstituiertem stereogenem Zentrum entstehen in einer katalytischen, chemo‐ und enantioselektiven nukleophilen Addition von Silylketenacetalen an Ketoaldehyde, bei der das Keton bevorzugt reagiert. 5‐ und 6‐Ringe mit aromatischen oder aliphatischen Substituenten werden erhalten. Außerdem werden 2,2,5‐trisubstituierte und 2,2,5,5‐tetrasubstituierte Tetrahydrofurane mit exzellenten Stereoselektivitäten synthetisiert. Der synthetische Nutzen der beschriebenen Methode wird durch die dreistufige Synthese der Seitenkette von Anhydroharringtonin demonstriert.
Unterbrechung der Aromatizität mittels Aminokatalyse: Eine einfache Strategie für die asymmetrische Synthese
Authors: Przydacz Artur , Skrzyńska Anna , Albrecht Łukasz
Published: August 2018

In den letzten rund 20 Jahren haben sich katalytische Reaktionen, die durch primäre oder sekundäre Amine vermittelt werden, als sehr nützliche Methoden für die organische Chemie erwiesen. In jüngster Zeit wurde das Potenzial solcher Synthesestrategien mithilfe des Prinzips des Aromatizitätsbruchs erheblich erweitert. Neuartige Reaktionsweisen sind nun durch die intermediäre Bildung von aus (hetero)aromatischen Systenem abgeleiteten Polyenamin‐Intermediaten zugänglich. Das richtige Design der Carbonyl‐Ausgangsverbindungen in Kombination mit der hohen stereochemischen Effizienz der gut etablierten Aminokatalysatoren ermöglichte die Synthese von Produkten mit (hetero)aromatischen Molekülgerüsten in hoch enantio‐ und diastereomerenangereicherter Form. In diesem Kurzaufsatz geben wir einen Überblick über die jüngsten Fortschritte in diesem Gebiet und stellen neue Möglichkeiten der Synthese mithilfe dieser interessanten Methoden vor.
Breaking Aromaticity with Aminocatalysis: A Convenient Strategy for Asymmetric Synthesis
Authors: Przydacz Artur , Skrzyńska Anna , Albrecht Łukasz
Published: August 2018

Since the turn of the millennium, catalytic reactions promoted by primary or secondary amines have emerged as a highly useful method for organic chemistry. Very recently, the potential of such synthetic strategies has been vastly expanded by incorporating the principle of aromaticity breaking. Novel reaction pathways can now be accessed through the intermediacy of polyenamine intermediates derived from (hetero)aromatic systems. The proper design of carbonyl starting materials, combined with the high stereochemical efficiency provided by well‐established aminocatalysts, has enabled the synthesis of products with (hetero)aromatic frameworks in highly enantio‐ and diastereomerically enriched form. In this Minireview, we provide an overview of recent advances in this field of research and familiarize the reader with new synthetic opportunities offered by these interesting methodologies.
Intensive EELS study of epoxy composites reinforced by graphene‐based nanofillers
Authors: Liu Yu , Hamon Ann‐Lenaig , Fan Benhui , He Delong , Haghi‐Ashtiani Paul , Reiss Thomas , Bai Jinbo
Published: August 2018

A detailed analysis of composites with epoxy matrix and three types of graphene‐based nanofillers combining scanning transmission electron microscopy and electron energy loss spectroscopy was reported here. The composites were prepared by a three‐roll milling method and the nanofillers were well dispersed in the matrix, as confirmed by SEM and scanning transmission electron microscopy observation. Mass density profiles through the interface from the matrix to the nanofillers were obtained thanks to the plasmon energy values measured from the low‐loss spectra. The core‐loss spectra revealed the chemical bonding states of different phase regions and identified the different chemical composition of graphite nanoplatelets (GNPs) in GNPs/epoxy and GNP‐CNTs/epoxy composites. Energy dispersive spectroscopy mapping was also conducted to further confirm the components in different phase regions. The successful characterization of the chemical structure and the bonding states paves the way for a better understanding of the structure–property relationships in composites. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46748.
Electrical and thermal phenomena in low‐density polyethylene/carbon black composites near the percolation threshold
Authors: Azizi Sohrab , David Eric , Fréchette Michel F. , Nguyen‐Tri Phuong , Ouellet‐Plamondon Claudiane M.
Published: August 2018

Low‐density polyethylene (LDPE)/carbon black (CB) composites were fabricated via melt‐compounding technique. The percolation threshold was found to be around 20 wt % CB, and an electrical network formed by conductive CB was proven by scanning electron microscopy investigation. Dielectric responses depicted an interfacial relaxation peak at 20 wt % CB content. LDPE/CB composites showed an electric field‐dependent conductivity as and a hysteresis behavior around the percolation threshold region. The CB particles with high thermal conductivity increased the heat conductance of the LDPE/CB20 up to 56%. The dynamic mechanical analysis of the LDPE/CB composites exhibited a noticeable contribution of CB throughout the composites, increasing the storage and loss modulus. The physical interactions between CB particles in the filler network enhanced the thermal degradation of the LDPE/CB25 composite for more than 76°C. The maximum breakdown strength of the LDPE/CB composites appeared with an approximately 10% improvement for LDPE/CB5 than pure LDPE. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47043.
A Chemometric Analysis of Compounds from Native New Zealand Medicinal Flora
Authors: Pilkington Lisa I. , Yang Xue , Liu Meng‐Wen , Hemar Yacine , Brimble Margaret A. , Reynisson Jóhannes
Published: August 2018

Several hundred (396) compounds from New Zealand flora with medicinal properties were analyzed for their physicochemical properties. It was found that approximately 10 % fulfilled all the requirements to be considered to be lead‐like, over half of the compounds were deemed to be in the drug‐like space and ≈75 % were in the known drug space. These results indicate the presence of a significant proportion of compounds that are of particular interest to pursue as potential lead compounds or therapeutics. Additionally, compound classes were analyzed separately—most carbonyl‐containing compounds (aldehydes, ketones, esters and lactones), along with phenols were the most lead‐like compounds, which also displayed very good proportions in the drug‐like and known drug space. The information presented herein can be harnessed and utilized in future work, through focussing on the compounds and compound classes that exhibit high‐levels of lead‐likeness for further development.
Techno‐economic assessment of carboxylic acids, furfural, and pellet production in a pine sawdust biorefinery
Authors: Clauser Nicolás M. , Gutiérrez Soledad , Area María C. , Felissia Fernando E. , Vallejos María E.
Published: August 2018

Pine sawdust is an important lignocellulosic waste from the primary industrialization of wood, and its valorization using the biorefinery concept could add new value chains to the forest industry. Compared with large‐scale biorefineries, small‐scale ones involve lower capital and logistics costs, lower risk, and can increase the use of labor in rural areas. A scheme was proposed for the use of the hemicelluloses obtained from the spent liquor of a steam explosion pretreatment of pine sawdust. With the proposed scheme, levulinic acid (LA), formic acid (FA), acetic acid and furfural are obtained from the liquid fraction while pellets are produced from the solid fraction. This pine sawdust biorefinery allows about 747 kg of pellets, 57 kg of LA, 23 kg of FA, 18 kg of acetic acid, and 22 kg of furfural per 1000 kg of dry sawdust to be obtained. The energy used for LA production is one of the main production costs. When 95% of the residual solid is used to generate steam, there is an improvement in the internal rate of return (IRR). The heat integration allows a reduction of 10% in the steam consumption for LA, increasing the capacity for pellet production. The results obtained are therefore essential when seeking alternatives for pine sawdust biorefineries, focusing on the improvement of the production processes, satisfaction of energy requirements, and the reduction of the recovery costs. Three alternatives for the valorization of pine sawdust were analyzed and the best of them obtained an IRR of about 17%. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
Conversion of Sugars and Biomass to Furans Using Heterogeneous Catalysts in Biphasic Solvent Systems
Authors: Romo Joelle E. , Bollar Nathan V. , Zimmermann Coy J. , Wettstein Stephanie G.
Published: August 2018

Within the last decade, interest in using biphasic systems for producing furans from biomass has grown significantly. Biphasic systems continuously extract furans into the organic phase, which prevents degradation reactions and potentially allows for easier separations of the products. Several heterogeneous catalyst types, including zeolites, ion exchange resins, niobium‐based, and others, have been used with various organic solvents to increase furan yields from sugar dehydration reactions. In this minireview, we summarized the use of heterogeneous catalysts in biphasic systems for furfural and 5‐hydroxymethylfurfural production from the past five years, highlighting trends in chemical and physical properties that effect catalytic activity. Additionally, the selection of an organic solvent for a biphasic system is extremely important and we review and discuss properties of the most commonly used organic solvents.
Exploring Atypical Fluorine–Hydrogen Bonds and Their Effects on Nucleoside Conformations
Authors: O'Reilly Daniel , Stein Robin S. , Patrascu Mihai Burai , Jana Sunit Kumar , Kurian Jerry , Moitessier Nicolas , Damha Masad J.
Published: August 2018

The ability of fluorine to serve as a hydrogen‐bond acceptor has been debated for many years. Short fluorine–hydrogen contacts are thought to play a key role in stabilizing some complex supramolecular systems. To directly probe the existence of fluorine–hydrogen bonds, we have performed NMR spectroscopy and computational modeling on a series of C2′‐fluorinated nucleosides. Specifically, quantum mechanics/molecular mechanics (QM/MM) analysis and [19F,1H] HMBC NMR experiments provided direct evidence for a C−H⋅⋅⋅F hydrogen bond in a 2′‐F,4′‐C‐α‐alkyl‐ribonucleoside analogue. This interaction was also supported by QTAIM and NBO analyses, which confirmed a bond critical point for the C−H⋅⋅⋅F interaction (0.74 kcal mol−1). In contrast, although conformational analysis and NMR experiments of 2′‐deoxy‐2′‐fluoro‐arabinonucleosides indicated a close proximity between the 2′‐fluorine and the H6/8 protons of the nucleobase, molecular simulations did not provide evidence for a C−H⋅⋅⋅F hydrogen bond.
Enantioselective Friedel–Crafts Alkylation Reactions of β‐Naphthols with Donor–Acceptor Aminocyclopropanes
Authors: Zhu Man , Wang Dong‐Chao , Xie Ming‐Sheng , Qu Gui‐Rong , Guo Hai‐Ming
Published: August 2018

The enantioselective Friedel–Crafts alkylation reaction of β‐naphthols with donor–acceptor aminocyclopropane was developed. In the presence of a copper complex derived from Cu(OTf)2 and bisoxazoline, a series of γ‐substituted γ‐aminobutyric acid derivatives were obtained with good yields (up to 98 %) and excellent enantioselectivities (up to 98 %). Using this catalytic system, the 2‐amino cyclopropane‐1,1‐dicarboxylate was obtained with high enantiomeric excess (up to 98 %) by an efficient kinetic resolution (s values of up to 90). The Friedel–Crafts alkylation product could be transformed into a tetracyclic 1,3‐oxazine derivative.
Folic Acid Functionalized Zirconium‐Based Metal–Organic Frameworks as Drug Carriers for Active Tumor‐Targeted Drug Delivery
Authors: Dong Hong , Yang Gui‐Xin , Zhang Xin , Meng Xiang‐Bin , Sheng Jing‐Li , Sun Xiao‐Jun , Feng Yu‐Jie , Zhang Feng‐Ming
Published: August 2018

Nanoscale metal–organic frameworks (NMOFs) have proven to be a class of promising drug carriers as a result of their high porosity, crystalline nature with definite structure information, and potential for further functionality. However, MOF‐based drug carriers with active tumor‐targeting function have not been extensively researched until now. Here we show a strategy for constructing active tumor‐targeted NMOF drug carriers by anchoring functional folic acid (FA) molecules onto the metal clusters of NMOFs. Two zirconium‐based MOFs, MOF‐808 and NH2‐UiO‐66, were chosen as models to reduce to the nanoscale for application as drug carriers, and then the terminal carboxylates of FA molecules were coordinated to Zr6 clusters on the surfaces of the nanoparticles by substitution of the original formate or terminal ‐OH ligands. The successful modification with FA was confirmed by solid‐state 13C MAS NMR and UV/Vis spectroscopy and other characterization methods. Drug loading and controlled release behavior at different pH were determined by utilizing the anticancer drug 5‐fluorouracil (5‐FU) as the model drug. Confocal laser scanning microscopy measurements further demonstrated that 5‐FU‐loaded FA‐NMOFs have excellent targeting ability through the efficient cellular uptake of FA‐NMOFs. This work opens up a new avenue to the construction of active tumor‐targeted NMOF‐based drug carriers with potential for cancer therapies.
Libraries of C‐5 Substituted Imidazoles and Oxazoles by Sequential Van Leusen (VL)–Suzuki, VL–Heck and VL–Sonogashira in Imidazolium‐ILs with Piperidine‐Appended‐IL as Base
Authors: Savanur Hemantkumar M. , Kalkhambkar Rajesh G. , Laali Kenneth K.
Published: August 2018

Facile access to diverse C5‐substituted imidazoles and oxazoles via sequential Van Leusen–Suzuki, Van Leusen–Heck, and Van Leusen–Sonogashira protocols, employing imidazolium‐ILs as solvents along with piperidine‐appended imidazolium [PAIM][NTf2] as task‐specific basic IL has been demonstrated, in a high‐yielding one‐pot method, starting with readily available aldimines (for imidazole) or aldehydes (for oxazole) and tosylmethylisocyanide (Tos‐MIC), under mild conditions with potential for recycling and reuse of the IL solvent. The scope of the method is supported 49 examples.
Implementing a biogeographic ancestry inference service for forensic casework
Authors: Jin Soulbee , Chase Maretta , Henry Margaret , Alderson Gerry , Morrow James M. , Malik Sobia , Ballard David , McGrory Joel , Fernandopulle Neil , Millman Jonathan , Laird Jack
Published: August 2018

The Centre of Forensic Sciences has validated the Precision ID Ancestry Panel on the Ion S5™ Massively Parallel Sequencing instrument for use in forensic casework. The focus of this paper is the development of reporting guidelines for implementation of the biogeographic ancestry inference service based on the Admixture Prediction results produced using the Torrent Suite™ Software (Thermo Fisher Scientific). The Admixture Prediction algorithm estimates the genetic ancestry of a sample using seven root populations (Europe, East Asia, Oceania, America, Africa, South Asia, and Southwest Asia). For individuals that declared a single ancestry, there was a high correlation between the declared ancestry and the ancestry predicted by the algorithm. However, some individuals with declared ancestries of Southern Europe, Southwest Asia, South Asia and Horn of Africa had Admixture Predictions that were composed of two or more root populations at 20% or greater. For individuals with known admixed ancestry, the major component of their declaration was included in their results in all but one case. Based on these results, reporting guidelines were developed and subsequently evaluated using the Admixture Predictions of additional samples. This paper discusses the development and evaluation of these reporting guidelines, along with an implementation plan for forensic casework.
Interaction of groundwater with Lake Urmia in Iran
Authors: Vaheddoost Babak , Aksoy Hafzullah
Published: August 2018

Being a large hyper‐saline water body, Lake Urmia in north‐western Iran deals with a gradual decline in its water level. Most of the studies on Lake Urmia have neglected the groundwater issue. In this study, as a direct approach, the interaction between the groundwater level and the lake water level is investigated both in time and space by analysing the groundwater data compiled from observation wells surrounding the lake. Baseflow separation is considered as an indirect approach to understand the groundwater contribution to the river network flowing into the lake. It is determined that about 70% of run‐off in the rivers draining into the lake is born in the form of baseflow. An interaction between the lake and the groundwater storage is clearly seen from the analysis to conclude that groundwater has a potential to recharge the lake. Thus, the shrinkage of water level in Lake Urmia could be expected to accelerate with the drastic use of groundwater, which will be a disaster with no return.
A conceptual model for groundwater discharge to a coastal brackish lagoon based on seepage measurements (Ringkøbing Fjord, Denmark)
Authors: Duque Carlos , Haider Kinza , Sebok Eva , Sonnenborg Torben O. , Engesgaard Peter
Published: August 2018

Groundwater discharge to a brackish lagoon (Ringkøbing Fjord) was quantified with seepage meters along four transects perpendicular to the shore during four seasons in 1 year. The objectives were to develop a conceptual model of the spatiotemporal variability of seepage and how landscape characteristics and saltwater intrusion affect seepage fluxes. The electrical conductivity of the groundwater was measured in vertical sediment profiles up to 3 m below the lagoon bed to assess the effects of the freshwater–saltwater interface location on flux distribution. The main differences compared with existing theoretical models are a lower discharge near the shore line (0–5 m) and two discharge peaks more offshore (15–20 and >25 m), which allowed the development of a conceptual model that is different from the classical concepts introduced for marine or lake environments and which can be representative of other similar areas. These differences are explained by the vegetation and organic material deposition in the near‐shore environment reducing discharge, the presence of the saline wedge leading to upward flow, and the increase of recirculation of brackish water due to wave pumping in areas offshore most exposed to the wind. The seasonal variability in discharge is smaller than the spatial variability between and within transects along the shoreline. Based on the conceptual model, fresh water discharge in a 20‐m‐wide fringe was calculated to be between 66 and 388 L·day−1·m−1 shore line, corresponding to a difference of a factor of six due to the variations in coast morphology and local characteristics of the area. The seasonal changes were responsible for changes of only 8% to 75% depending on the location.
Performance analysis of meningioma brain tumor classifications based on gradient boosting classifier
Authors: Selvapandian A. , Manivannan K.
Published: August 2018

Detection of abnormal regions in brain image is complex process due to its similarity between normal and abnormal regions. This article proposes an automated technique for the detection of meningioma tumor using Gradient Boosting Machine Learning (GBML) classification method. This proposed system consists of preprocessing, feature extraction and classification stages. In this article, Grey Level Co occurrence Matrix (GLCM) features, intensity features, and Gray Level Run Length Matrix features are derived from the test brain MRI image. These derived feature set are classified using GBML classification approach. Morphological functions are used to segment the tumor region in classified abnormal brain image. The performance of the proposed system is evaluated on brain MRI images which are obtained from open access data set. The proposed methodology stated in this article achieves 93.46% of sensitivity, 96.54% of specificity, and 97.75% of accuracy with respect to ground truth images.