bluuebunny/crossref_metadata_2025 huggingface dataset:
Ischemic core and hypoperfusion volumes predict infarct size in SWIFT PRIME
Authors: Albers Gregory W. , Goyal Mayank , Jahan Reza , Bonafe Alain , Diener Hans‐Christoph , Levy Elad I. , Pereira Vitor M. , Cognard Christophe , Cohen David J. , Hacke Werner , Jansen Olav , Jovin Tudor G. , Mattle Heinrich P. , Nogueira Raul G. , Siddiqui Adnan H. , Yavagal Dileep R. , Baxter Blaise W. , Devlin Thomas G. , Lopes Demetrius K. , Reddy Vivek K. , de Rochemont Richard du Mesnil , Singer Oliver C. , Bammer Roland , Saver Jeffrey L.
Published: October 2015

Objective

Within the context of a prospective randomized trial (SWIFT PRIME), we assessed whether early imaging of stroke patients, primarily with computed tomography (CT) perfusion, can estimate the size of the irreversibly injured ischemic core and the volume of critically hypoperfused tissue. We also evaluated the accuracy of ischemic core and hypoperfusion volumes for predicting infarct volume in patients with the target mismatch profile.

Methods

Baseline ischemic core and hypoperfusion volumes were assessed prior to randomized treatment with intravenous (IV) tissue plasminogen activator (tPA) alone versus IV tPA + endovascular therapy (Solitaire stent‐retriever) using RAPID automated postprocessing software. Reperfusion was assessed with angiographic Thrombolysis in Cerebral Infarction scores at the end of the procedure (endovascular group) and Tmax > 6‐second volumes at 27 hours (both groups). Infarct volume was assessed at 27 hours on noncontrast CT or magnetic resonance imaging (MRI).

Results

A total of 151 patients with baseline imaging with CT perfusion (79%) or multimodal MRI (21%) were included. The median baseline ischemic core volume was 6ml (interquartile range = 0–16). Ischemic core volumes correlated with 27‐hour infarct volumes in patients who achieved reperfusion (r = 0.58, p < 0.0001). In patients who did not reperfuse (<10% reperfusion), baseline Tmax > 6‐second lesion volumes correlated with 27‐hour infarct volume (r = 0.78, p = 0.005). In target mismatch patients, the union of baseline core and early follow‐up Tmax > 6‐second volume (ie, predicted infarct volume) correlated with the 27‐hour infarct volume (r = 0.73, p < 0.0001); the median absolute difference between the observed and predicted volume was 13ml.

Interpretation

Ischemic core and hypoperfusion volumes, obtained primarily from CT perfusion scans, predict 27‐hour infarct volume in acute stroke patients who were treated with reperfusion therapies. ANN NEUROL 2016;79:76–89
Gold(I)‐Assisted α‐Allylation of Enals and Enones with Alcohols
Authors: Mastandrea Marco Michele , Mellonie Niall , Giacinto Pietro , Collado Alba , Nolan Steven P. , Miscione Gian Pietro , Bottoni Andrea , Bandini Marco
Published: October 2015

The intermolecular α‐allylation of enals and enones occurs by the condensation of variously substituted allenamides with allylic alcohols. Cooperative catalysis by [Au(ItBu)NTf2] and AgNTf2 enables the synthesis of a range of densely functionalized α‐allylated enals, enones, and acyl silanes in good yield under mild reaction conditions. DFT calculations support the role of an α‐gold(I) enal/enone as the active nucleophilic species.
Real‐time Observation of Deep Lithiation of Tungsten Oxide Nanowires by In Situ Electron Microscopy
Authors: Qi Kuo , Wei Jiake , Sun Muhua , Huang Qianming , Li Xiaomin , Xu Zhi , Wang Wenlong , Bai Xuedong
Published: October 2015

An in‐depth mechanistic understanding of the electrochemical lithiation process of tungsten oxide (WO3) is both of fundamental interest and relevant for potential applications. One of the most important features of WO3 lithiation is the formation of the chemically flexible, nonstoichiometric LixWO3, known as tungsten bronze. Herein, we achieved the real‐time observation of the deep electrochemical lithiation process of single‐crystal WO3 nanowires by constructing in situ transmission electron microscopy (TEM) electrochemical cells. As revealed by nanoscale imaging, diffraction, and spectroscopy, it is shown that the rapid and deep lithiation of WO3 nanowires leads to the formation of highly disordered and near‐amorphous LixWO3 phases, but with no detectable traces of elemental W and segregated Li2O phase formation. These results highlight the remarkable chemical and structural flexibility of the LixWO3 phases in accommodating the rapid and deep lithiation reaction.
Distribution of Neuron Cell Bodies in the Intraspinal Portion of the Spinal Accessory Nerve in Humans
Authors: Boehm Karl E. , Kondrashov Peter
Published: October 2015

The spinal accessory nerve is often identified as a purely motor nerve innervating the trapezius and sternocleidomastoid muscles. Although it may contain proprioceptive neurons found in cervical spinal levels C2–C4, limited research has focused on the histology of the spinal accessory nerve. The objective of the present study was to examine the spinal accessory nerve to determine if there are neuronal cell bodies within the spinal accessory nerve in humans. Cervical spinal cords were dissected from eight cadavers that had previously been used for dissection in other body regions. The segmental rootlets were removed to quantify the neuron cell bodies present at each spinal level. Samples were embedded in paraffin; sectioned; stained with hematoxylin and eosin; and examined using a microscope at 4×, 10×, and 40× magnification. Digital photography was used to image the samples. Neuronal cell bodies were found in 100% of the specimens examined, with non‐grossly visible ganglia found at spinal levels C1–C4. The C1 spinal level of the spinal accessory nerve had the highest number of neuron cell bodies. Anat Rec, 299:98–102, 2016. © 2015 Wiley Periodicals, Inc.
First Description of a Palatal Organ in Chimaera monstrosa (Chondrichthyes, Holocephali)
Authors: Ferrando Sara , Gallus Lorenzo , Gambardella Chiara , Croce Daniel , Damiano Giulia , Mazzarino Chiara , Vacchi Marino
Published: October 2015

Chimaeroid fishes are the only extant Holocephali, a subclass of Chondrichthyes. We describe for the first time a well evidenced structure localized in the palate of the chimaeroid Chimaera monstrosa, here named a palatal organ (PO). Attention has been paid to the holocephalan head morphology, but there has been no mention of this particular organ in the literature. The PO is a soft‐tissue mass located within a slight hollow in between the two vomerine toothplates, and it protrudes into the oral cavity, resembling the mammalian incisive papilla. It is characterized by dense connective tissue with abundant collagen and elastic fibers and no muscular tissue. The robust innervation but low density of taste buds suggest a role in gustation for the PO, but primary utility in general mechanical sensitivity likely implicated in food sorting. The presence of numerous multicellular serous glands in the anterior/dorsal part of the PO is quite surprising because, in gnathostome fish, the presence of multicellular glands within the mouth has been reported in only the rare case of teeth‐associated venom glands. Hypothesized roles for these glands could include food lubrication, digestion and defense against pathogens. In the literature, the presence of a PO has been demonstrated in many published images of chimaeroid fishes, but has gone unnoticed. This trait could represent a peculiar characteristic of all or a subset of holocephalans. Anat Rec, 299:118–131, 2016. © 2015 Wiley Periodicals, Inc.
Morphological Integration of the Orbital Region in a Human Ontogenetic Sample
Authors: Barbeito‐Andrés Jimena , Anzelmo Marisol , Ventrice Fernando , Pucciarelli Héctor M. , Sardi Marina L.
Published: October 2015

Most studies on craniofacial morphology have focused on adult individuals, but patterns of variation are the outcome of genetic and epigenetic variables that interact throughout ontogeny. Among cranial regions, the orbits exhibit morphological variation and occupy an intermediate position between neurocranial and facial structures. The main objective of this work was to analyze postnatal ontogenetic variation and covariation in the morphology of the orbital region in a cross‐sectional series of humans from 0 to 31 years old. Landmarks and semilandmarks were digitized on the orbital rim, as well as in neighboring neural and facial structures. Data were analyzed using geometric morphometrics. Results indicated that orbital size increases during the first years of postnatal life, while the shape of the orbital aperture does not change significantly with age. In general, the pattern and magnitude of shape covariation do not vary markedly during postnatal life although some subtle shifts were documented. Additionally, the shape of the orbital aperture is more related to the anterior neurocranium than to zygomatic structures, even when the allometry is adjusted. Although we expected some influence from postnatal craniofacial growth and from some functional factors, such as mastication, on the development of the orbits, this assumption was not completely supported by our results. As a whole, our findings are in line with the prediction of an early influence of the eyes and extraocular tissues on orbital morphology, and could be interpreted in relation to processes promoting early neural development that coordinately affects orbital traits and the neurocranial skeleton. Anat Rec, 299:70–80, 2016. © 2015 Wiley Periodicals, Inc.
Developmental Progression of the Coronary Vasculature in Human Embryos and Fetuses
Authors: Tomanek Robert J.
Published: October 2015

Although considerable advances in our understanding of mammalian and avian embryonic coronary development have occurred during the last decade, our current knowledge of this topic in humans is limited. Accordingly, the aim of this study was to determine if the development of the human coronary vasculature in humans is like that of other mammals and avians. The data document a progression of events involving mesenchymal cell‐containing villi from the proepicardium, establishment of blood islands and a capillary network. The major finding of the study is direct evidence that the capillary plexus associated with spindle cells and erythroblasts invades the base of the aorta to form coronary ostia. A role for the dorsal mesocardium is also indicated by the finding that cells from this region are continuous with the aorta and pulmonary artery. The development of the tunica media of the coronary arteries follows the same base‐apex progression as in other species, with the development of branches occurring late in the embryonic period. The fetal period is characterized by 1) growth and a numerical increase in the smallest arterial branches, veins, and venules, 2) innervation of arteries, and 3) inclusion of elastic fibers in the tunica media of the coronary arteries and development of the tunica adventitia. In conclusion, the data demonstrate that the development of the coronary system in humans is similar to that of other mammalian and avian species, and for the first time documents that the formation of the ostia and coronary stems in humans occurs by ingrowth of a vascular plexus and associated cells from the epicardium. Anat Rec, 299:25–41, 2016. © 2015 Wiley Periodicals, Inc.
CONSTRUCTION OF SILKWORM MIDGUT cDNA LIBRARY FOR SCREEN AND SEQUENCE ANALYSIS OF PERITROPHIC MEMBRANE PROTEIN GENES
Authors: Zhou Yi‐Jun , Xue Bin , Li Yang‐Yang , Li Fan‐Chi , Ni Min , Shen Wei‐De , Gu Zhi‐Ya , Li Bing , Shen Wei‐De , Gu Zhi‐Ya , Li Bing
Published: October 2015

Silkworm is an important economic insect and the model species for Lepidoptera. The midgut of silkworm is an important physiological barrier, as its peritrophic membrane (PM) can resist pathogen invasion. In this study, a silkworm midgut cDNA library was constructed in order to identify silkworm PM genes. The capacity of the initial library was 6.92 × 106 pfu/ml, along with a recombination rate of 92.14% and a postamplification titer of 4.10 × 109 pfu/ml. Three silkworm PM protein genes were obtained by immunoscreening, two of which were chitin‐binding protein (CBP) genes and one of which was a chitin deacetylase (CDA) gene as revealed by sequence analysis. Three genes were named BmCBP02, BmCBP13, and BmCDA17, and their ORF sizes are 678, 1,029, and 645 bp, respectively; all of them contain sequences of chitin‐binding domains. Phylogenetic analysis indicated that BmCBP02 has the highest consensus with Mamestra configurata CBP at 61.0%; BmCBP13 has the highest consensus with Loxostege sticticalis PM CBP at 53.35%; BmCDA17 has the highest consensus with Helicoverpa armigera CDA5a at 70.83%. Tissue transcriptional analysis revealed that all three genes were specifically expressed in the midgut, and during the developmental process of fifth‐instar silkworms, the transcription of all the genes showed an upward trend. This study laid a foundation for further studies on the functions of silkworm PM genes.
Body donations today and tomorrow: What is best practice and why?
Authors: Riederer Beat M.
Published: October 2015

There is considerable agreement that the use of human bodies for teaching and research remains important, yet not all universities use dissection to teach human gross anatomy. The concept of body donation has evolved over centuries and there are still considerable discrepancies among countries regarding the means by which human bodies are acquired and used for education and research. Many countries have well‐established donation programs and use body dissection to teach most if not all human gross anatomy. In contrast, there are countries without donation programs that use unclaimed bodies or perhaps a few donated bodies instead. In several countries, use of cadavers for dissection is unthinkable for cultural or religious reasons. Against this background, successful donation programs are highlighted in the present review, emphasizing those aspects of the programs that make them successful. Looking to the future, we consider what best practice could look like and how the use of unclaimed bodies for anatomy teaching could be replaced. From an ethical point of view, countries that depend upon unclaimed bodies of dubious provenance are encouraged to use these reports and adopt strategies for developing successful donation programs. In many countries, the act of body donation has been guided by laws and ethical frameworks and has evolved alongside the needs for medical knowledge and for improved teaching of human anatomy. There will also be a future need for human bodies to ensure optimal pre‐ and post‐graduate training and for use in biomedical research. Good body donation practice should be adopted wherever possible, moving away from the use of unclaimed bodies of dubious provenance and adopting strategies to favor the establishment of successful donation programs. Clin. Anat. 29:11–18, 2016. © 2015 Wiley Periodicals, Inc.
The use of animal tissues alongside human tissue: Cultural and ethical considerations
Authors: Kaw Anu , Jones D. Gareth , Zhang Ming
Published: October 2015

Teaching and research facilities often use cadaveric material alongside animal tissues, although there appear to be differences in the way we handle, treat, and dispose of human cadaveric material compared to animal tissue. This study sought to analyze cultural and ethical considerations and provides policy recommendations on the use of animal tissues alongside human tissue. The status of human and animal remains and the respect because of human and animal tissues were compared and analyzed from ethical, legal, and cultural perspectives. The use of animal organs and tissues is carried out within the context of understanding human anatomy and function. Consequently, the interests of human donors are to be pre‐eminent in any policies that are enunciated, so that if any donors find the presence of animal remains unacceptable, the latter should not be employed. The major differences appear to lie in differences in our perceptions of their respective intrinsic and instrumental values. Animals are considered to have lesser intrinsic value and greater instrumental value than humans. These differences stem from the role played by culture and ethical considerations, and are manifested in the resulting legal frameworks. In light of this discussion, six policy recommendations are proposed, encompassing the nature of consent, respect for animal tissues as well as human remains, and appropriate separation of both sets of tissues in preparation and display. Clin. Anat. 29:19–24, 2016. © 2015 Wiley Periodicals, Inc.
The business of bodies: Ethical perspectives on for‐profit body donation companies
Authors: Champney Thomas H.
Published: October 2015

Human cadavers are a scarce resource that have educational, research and clinical value. While the tissues have great value, it is illegal in many countries to pay for them. In the United States, a number of for‐profit body acquisition companies have been established over the past decade. These companies obtain bodies which were freely donated by the individuals or their families. The companies distribute the specimens to surgical training organizations, researchers and educational institutions. These businesses do not charge the receiving organizations for the bodies; they do, however, charge a fee that covers the transport, handling and other services which creates a profit for their companies. These types of businesses are described and analyzed as to whether they constitute an ethically appropriate mechanism to obtain and distribute bodies. The role of organizations and governments in establishing policies and regulations for the appropriate treatment of human remains is addressed. Recommendations are given for best practices in the ethical use and regulation of willed bodies. Clin. Anat. 29:25–29, 2016. © 2015 Wiley Periodicals, Inc.
The public display of plastinates as a challenge to the integrity of anatomy
Authors: Jones David Gareth
Published: October 2015

Anatomy has been thrust into the public domain by the highly successful public displays of dissected and plastinated human bodies. This is anatomy in modern guise, anatomy as perceived by the general public. If this is the case, the message it is giving the public about the nature of anatomy is that it is an impersonal analysis of the human body of value within a medical and health care environment. While this is in part true, and while it reflects important aspects of anatomy's history, it fails to reflect the humanistic strands within an increasing swathe of contemporary anatomy. These are manifested in growing recognition of the centrality of informed consent in the practice of anatomy, awareness of the personal dimensions and relationships of those whose bodies are being dissected, and manifested in thanksgiving ceremonies involving staff and students. The notion that the bodies undergoing dissection can be students' first teachers and/or patients is gaining ground, another indication of the human dimensions of the anatomical enterprise. Exhibitions such as Body Worlds ignore these dimensions within anatomy by dislocating it from its clinical and relational base. The significance of this is that loss of these dimensions leads to a loss of the human face of anatomy by isolating it from the people whose body bequests made this knowledge possible. What is required is greater transparency and openness in the practices of all who deal with the dead human body, trends that owe much to the writings of scholars from within a range of humanities disciplines as they have responded to the public displays of dissected plastinated bodies. Anatomists have much to learn from these debates. Clin. Anat. 29:46–54, 2016. © 2015 Wiley Periodicals, Inc.
A student proposal for ethical guidelines in anatomical education: Ethical and policy considerations
Authors: Kahn Peter A. , Gardin Tova M.
Published: October 2015

The recent publication of a story regarding anatomical dissection in a medical school has revealed the need for increased attention to the ethical and policy aspects of anatomical education. While most of the attention devoted to these questions thus far has been focused on procedures before and after dissection, from the perspective of medical students, there are important considerations during the process of dissection itself. This proposal was developed by two third‐year medical students through a review of the relevant published literature, reflection upon their personal experiences in anatomy courses in two separate institutions, and informal discussion of these topics with peers. The proposal is that basic ethical guidelines should be established and monitored by an independent committee tasked with reviewing them. The proposed guidelines include: First, a clear set of expectations about what the student is expected to learn with respect to anatomical knowledge and dissection technique; second, the establishment by schools or national bodies of minimal ethical standards regarding respectful behavior toward the donor bodies, and the communication of these standards to teachers and students involved in educational dissections; third, the use of materials that encourage students to view their donors with respect and ensure proper treatment of them; and fourth, the establishment of an oversight group (at each medical school and at national level) comprising students, faculty, community members, and staff, who will regularly review the anatomical education program and update these ethical guidelines as appropriate. While many of these proposals are already implemented in some anatomy departments, the establishment of clear guidelines at a national as well as a school‐by‐school level will permit students the freedom to participate fully in their education, knowing they have met the highest ethical standards as they prepare for a career as a humanistic physician. Clin. Anat. 29:60–64, 2016. © 2015 Wiley Periodicals, Inc.
Acknowledging tissue donation: Human cadaveric specimens in musculoskeletal research
Authors: Winkelmann Andreas , Heinze Anne‐Kathrin , Hendrix Sven
Published: October 2015

Human cadaveric specimens are an important resource for research, particularly in biomechanical studies, but their use also raises ethical questions and cannot simply be taken for granted. It was asked how much information authors publishing musculoskeletal research actually give about such specimens and about how they were acquired. The aim was to formulate recommendations on how this reporting might be improved. Relevant articles published between 2009 and 2012 in four North American or European journals were scanned for information regarding the characteristics of the human specimens used, their institutional source and the ethical or legal context of their acquisition. While the majority of articles report biological characteristics of specimens (sex, age at death, preservation method), only 40% of articles refer to body donation, only 23% report the institution that provided specimens, and only 17% refer to some kind of formalized approval of their research. There were regional and journal‐to‐journal differences. No standard for reporting studies involving human specimens could be detected. It is suggested that such a standard be developed by researchers and editors. Information on the source of specimens and on the ethical or legal basis should be regularly reported to acknowledge this unique research resource and to preserve the good relationship between researchers and the communities, that provide the required specimens by body donation and upon which researchers depend. Clin. Anat. 29:65–69, 2016. © 2015 Wiley Periodicals, Inc.
Training and learning of specialized engineers by means of a new advanced software
Authors: Urbikain Gorka , López de Lacalle Luis Norberto
Published: October 2015

The Group of High Performance Manufacturing of the University of the Basque Country (UPV/EHU) conducts training of specialized industrial engineers, providing specific courses of Advanced Manufacturing together with student participation in innovative projects. Arising from the research activities of the High Speed Machining (HSM) division, a new software with key utilities is presented as a personal approach of the authors to address vibrations and other problems in distinct machining systems. The tool begins to be used during computer‐based practice sessions as well as during practical sessions at the mechanical workshop. It is capable of generating predictive results and extracting direct information from real data. Following the objectives of the instructional strategy, a more than favorable perception was found from the surveys and examination passing rates. This evolving application is conceived of as an introductory learning and training tool for vibration analysis for future manufacturing engineers to reduce the gap between the theoretical and practical sides of the subject. © 2015 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:241–254, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21702
Gift from Nature: Cyclomarin A Kills Mycobacteria and Malaria Parasites by Distinct Modes of Action
Authors: Bürstner Nathalie , Roggo Silvio , Ostermann Nils , Blank Jutta , Delmas Cecile , Freuler Felix , Gerhartz Bernd , Hinniger Alexandra , Hoepfner Dominic , Liechty Brigitta , Mihalic Manuel , Murphy Jason , Pistorius Dominik , Rottmann Matthias , Thomas Jason R. , Schirle Markus , Schmitt Esther K.
Published: October 2015

Malaria continues to be one of the most devastating human diseases despite many efforts to limit its spread by prevention of infection or by pharmaceutical treatment of patients. We have conducted a screen for antiplasmodial compounds by using a natural product library. Here we report on cyclomarin A as a potent growth inhibitor of Plasmodium falciparum and the identification of its molecular target, diadenosine triphosphate hydrolase (PfAp3Aase), by chemical proteomics. Using a biochemical assay, we could show that cyclomarin A is a specific inhibitor of the plasmodial enzyme but not of the closest human homologue hFHIT. Co‐crystallisation experiments demonstrate a unique binding mode of the inhibitor. One molecule of cyclomarin A binds a dimeric PfAp3Aase and prevents the formation of the enzyme⋅substrate complex. These results validate PfAp3Aase as a new drug target for the treatment of malaria. We have previously elucidated the structurally unrelated regulatory subunit ClpC1 of the ClpP protease as the molecular target of cyclomarin A in Mycobacterium tuberculosis. Thus, cyclomarin A is a rare example of a natural product with two distinct and specific modes of action.
Solvent‐Free Iridium‐Catalyzed Reactivity of CO2 with Secondary Amines and Hydrosilanes
Authors: Julián Alejandro , Polo Víctor , Jaseer E. A. , Fernández‐Alvarez Francisco J. , Oro Luis A.
Published: October 2015

The complex [Ir(H)(CF3SO3)(NSiN)(coe)] (NSiN=bis(pyridine‐2‐yloxy)methylsilyl fac‐coordinated) (1) is an effective catalyst precursor for the solvent‐free synthesis of silyl carbamates from reaction of aliphatic secondary amines with CO2 and HSiMe(OSiMe3)2. The preferential formation of the silyl carbamate instead of the expected formamide or methylamine has proven to be consequence of an iridium‐catalyzed dehydrogenative Si−N coupling between the silane and the amine to afford the corresponding silyl amine, which under the reaction conditions reacts with CO2 to give the corresponding silyl carbamate.
Synthesis and Physicochemical Characterization of Ce1−xGdxO2−δ: A Case Study on the Impact of the Oxygen Storage Capacity on the HCl Oxidation Reaction
Authors: Möller Maren , Urban Sven , Cop Pascal , Weller Tobias , Ellinghaus Rüdiger , Kleine‐Boymann Matthias , Fiedler Carsten , Sann Joachim , Janek Jürgen , Chen Limei , Klar Peter J. , Hofmann Detlef M. , Philipps Jan , Dolcet Paolo , Gross Silvia , Over Herbert , Smarsly Bernd M.
Published: October 2015

This study reports the synthesis of high‐surface‐area Ce1−xGdxO2−δ (CGO) fibers that are used as catalysts for the oxidation of HCl. Special emphasis is put on the role of the oxygen storage capacity (OSC) of the CGO fibers on the catalytic performance. An in‐depth physicochemical characterization of high‐surface‐area CGO was achieved by employing a multitude of dedicated spectroscopic techniques. The increasing OSC with Gd content is traced to the development of a space charge region with increased electron concentration as a result of the nano size of the CGO particles. The activity of CGO in the HCl oxidation reaction is shown to decrease with Gd concentration.
Chemoenzymatic Deracemization of Secondary Alcohols by using a TEMPO–Iodine–Alcohol Dehydrogenase System
Authors: Méndez‐Sánchez Daniel , Mangas‐Sánchez Juan , Lavandera Iván , Gotor Vicente , Gotor‐Fernández Vicente
Published: October 2015

A deracemization system for secondary alcohols was established after the analysis of individual steps and their compatibility in one pot. The chemical oxidation and bioreduction occurred in a sequential manner to yield 1‐arylethanols and lineal aliphatic alcohols with excellent conversions and enantiomeric excess values. The oxidation step was performed by using 2,2,6,6‐tetramethylpiperidin‐1‐oxyl and iodine. This chemical process was extremely favored by sonication, which allowed quantitative formation of the corresponding ketone intermediates after just 1 h. Simple destruction of iodine in the same pot allowed sequential bioreduction of the ketones by using either Prelog or antiPrelog enzymes, which led to the preparation of the enantiopure alcohols in excellent yields.
Electron‐Irradiation‐Stimulated Atomic‐Scale Structural Dynamics of the Pentagonal Channel in a Complex MoVTeNbOx Catalyst
Authors: Zhang Wei , Zhang Bingsen , Zheng Weitao , Su Dang Sheng
Published: October 2015

The complex (Mo,V)‐based multicomponent M1 phase with a characteristic network of pentagonal, hexagonal, and heptagonal channels is the key catalyst for the catalytic oxidation from propane to acrylic acid. Herein, the atomic‐scale structural dynamics in the orthorhombic Mo‐V‐Te‐Nb oxide were probed under electron‐beam stimulation. The recorded in situ scanning transmission electron microscopy images unravel the strong bonding and correlation between the (Mo,V)O6 octahedra and the central Nb moieties in the pentagonal channels. Such dynamic electron microscopy imaging can pave the way to chemically tailoring structural units of a general catalogue of functional polyoxometalates through applying top‐down electron‐beam probing.
Chemoenzymatic Halogenation of Phenols by using the Haloperoxidase from Curvularia inaequalis
Authors: Fernández‐Fueyo Elena , van Wingerden Marco , Renirie Rokus , Wever Ron , Ni Yan , Holtmann Dirk , Hollmann Frank
Published: October 2015

The vanadium‐dependent chloroperoxidase from Curvularia inaequalis is an efficient biocatalyst for the in situ generation of hypohalous acids and subsequent electrophilic oxidation/halogenation reactions. Especially, its superb activity and stability under operational conditions make it an attractive catalyst for organic synthesis. Herein, the efficient bromination of thymol was investigated, and turnover numbers of the enzyme were found to exceed 2 000 000. The major novelty of the work is that vanadium chloroperoxidase is more useful as a brominating enzyme than vanadium bromoperoxidase in terms of operational stability, besides being far more stable than heme‐containing peroxidases.
Nanometrization of Lanthanide‐Based Coordination Polymers
Authors: Neaime Chrystelle , Daiguebonne Carole , Calvez Guillaume , Freslon Stéphane , Bernot Kevin , Grasset Fabien , Cordier Stéphane , Guillou Olivier
Published: October 2015

Heteronuclear lanthanide‐based coordination polymers are microcrystalline powders, the luminescence properties of which can be precisely tuned by judicious choice of the rare‐earth ions. In this study, we demonstrate that such materials can also be obtained as stable solutions of nanoparticles in non‐toxic polyols. Bulk powders of the formula [Ln2−2xLn′2x(bdc)3⋅4 H2O]∞(where H2bdc denotes 1,4‐benzene‐dicarboxylic acid, 0≤x≤1, and Ln and Ln′ denote lanthanide ions of the series La to Tm plus Y) afford nanoparticles that have been characterized by dynamic light‐scattering (DLS) and transmission electron microscopy (TEM) measurements. Their luminescence properties are similar to those of the bulk materials. Stabilities versus time and versus dilution with another solvent have been studied. This study has revealed that it is possible to tune the size of the nanoparticles. This process offers a reliable means of synthesizing suspensions of nanoparticles with tunable luminescence properties and tunable size distributions in a green solvent (glycerol). The process is also extendable to other coordination polymers and other solvents (ethylene glycol, for example). It constitutes a new route for the facile solubilization of lanthanide‐based coordination polymers.
Graphene Oxide Nanosheets Modified with Single‐Domain Antibodies for Rapid and Efficient Capture of Cells
Authors: Chen Guan‐Yu , Li Zeyang , Theile Christopher S. , Bardhan Neelkanth M. , Kumar Priyank V. , Duarte Joao N. , Maruyama Takeshi , Rashidfarrokh Ali , Belcher Angela M. , Ploegh Hidde L.
Published: October 2015

Peripheral blood can provide valuable information on an individual’s immune status. Cell‐based assays typically target leukocytes and their products. Characterization of leukocytes from whole blood requires their separation from the far more numerous red blood cells.1 Current methods to classify leukocytes, such as recovery on antibody‐coated beads or fluorescence‐activated cell sorting require long sample preparation times and relatively large sample volumes.2 A simple method that enables the characterization of cells from a small peripheral whole blood sample could overcome limitations of current analytical techniques. We describe the development of a simple graphene oxide surface coated with single‐domain antibody fragments. This format allows quick and efficient capture of distinct WBC subpopulations from small samples (∼30 μL) of whole blood in a geometry that does not require any specialized equipment such as cell sorters or microfluidic devices.
Clean Synthesis of an Economical 3D Nanochain Network of PdCu Alloy with Enhanced Electrocatalytic Performance towards Ethanol Oxidation
Authors: Liu Jiawei , Huang Zhao , Cai Kai , Zhang Huan , Lu Zhicheng , Li Tingting , Zuo Yunpeng , Han Heyou
Published: October 2015

A one‐pot method for the fast synthesis of a 3D nanochain network (NNC) of PdCu alloy without any surfactants is described. The composition of the as‐prepared PdCu alloy catalysts can be precisely controlled by changing the precursor ratio of Pd to Cu. First, the Cu content changes the electronic structure of Pd in the 3D NNC of PdCu alloy. Second, the 3D network structure offers large open pores, high surface areas, and self‐supported properties. Third, the surfactant‐free strategy results in a relatively clean surface. These factors all contribute to better electrocatalytic activity and durability towards ethanol oxidation. Moreover, the use of copper in the alloy lowers the price of the catalyst by replacing the noble metal palladium with non‐noble metal copper. The composition‐optimized Pd80Cu20 alloy in the 3D NNC catalyst shows an increased electrochemically active surface area (80.95 m2 g−1) and a 3.62‐fold enhancement of mass activity (6.16 A mg−1) over a commercial Pd/C catalyst.
Cultivation and Hydrothermal Gasification of Microalgae Scenedesmus Obliquus – First Experimental Results
Authors: Möbius Anja , Boukis Nikolaos , Hindersin Stefan , Kerner Martin
Published: October 2015

Microalgae (Scenedesmus obliquus) produced in flat panel photobioreactors were converted via supercritical water gasification. The long term aim is to gain higher process efficiency through recycling of byproducts of supercritical water gasification and waste water during the cultivation of microalgae. The first step of the project, the general feasibility of conversion of microalgae Scenedesmus obliquus via supercritical water gasification to a hydrogen‐rich combustible gas is presented. The product gas had a higher heating value and consisted of hydrogen, methane, carbon dioxide, and ethane.
Diosgenin aus Yams als Hormonvorstufe
Authors: Rudo Anna , Siehl Hans‐Ullrich , Zeller Klaus‐Peter , Berger Stefan , Sicker Dieter
Published: October 2015

Das Sapogenin Diosgenin ist das Aglykon des Saponins Dioscin. Es kommt in Pflanzen wie Yams vor, aus denen es seit den 1940er Jahren in industriellem Maßstab isoliert wird. Pflanzliches Diosgenin ist Ausgangsstoff für die Synthese menschlicher, und damit tierischer Hormone und “der Pille”, die als hormonelles Verhütungsmittel eine Revolution in der Kontrolle der menschlichen Sexualität bedeutete. Die Geschichte, Isolierung und Spektroskopie dieses kompliziert gebauten Sapogenins wird beschrieben. Dieser Artikel erweitert den lebhaft diskutierten Beitrag “50 Jahre Pille in Deutschland” (Streller & Roth, ChiuZ, 2011 [1]) um ein konkretes Stoffbeispiel. Er gehört zur Reihe über die Isolierung und Spektroskopie von Naturstoffen und entspringt einer Vertiefungsarbeit.
Influence analysis of monolith structure on regeneration temperature in the process of microwave regeneration in the diesel particulate filter
Authors: E Jiaqiang , Liu Ming , Deng Yuanwang , Zhu Hao , Gong Jinke
Published: October 2015

Based on models A, B, and C of three kinds of diesel particulate filter (DPF) with microwave regeneration, a DPF microwave regeneration model is established according to the laws of conservation of mass, momentum, and energy. The trends of internal temperature under different velocities of exhaust gas in channels are simulated and analyzed. The results show that: (1) Regeneration temperature in the process of microwave regeneration will begin to increase from the front to the rear end of along the axial direction, and the maximum temperature value will appear in the rear end of the monolith. (2) The internal flow velocity in the DPF of model C is the most uniform and the temperature gradient is the smallest among the three models. Therefore, it is the most useful for DPF regeneration. (3) The minimal thermal stress is exerted on the DPF of model C. Therefore, this model is most useful for prolonging the service life of a DPF.
Influence of Co‐Combustion of Alternative Derived Fuels on Air Emission from Cement Plants: Particulates and Trace Species
Authors: Richards Glen , Agranovski Igor E.
Published: October 2015

As cement manufacturing is heavily intensive on material and energy requirements, its increasing demand for global production is set to double the industries current emission rates. With an increasing concern on public health from particulates and trace pollutants (particulate matter, metals, polycyclic aromatic hydrocarbons (PAHs), dioxins, polychlorinated bi‐phenyls (PCBs), and others)) opportunities to reduce emission levels (while sustaining the plants’ required energy) require special attention. This paper presents an analysis on the air pollutant formation factors and subsequent unit mass emission factors (UMEFs) during the co‐combustion of alternative‐derived fuels (ADFs) in today's real‐world operating cement plants. Environmental emissions monitoring was conducted on ten cement batching plants while under normal and experimental operating conditions. In summary, the co‐combustion trials of ADFs have consistently shown to have minimal influence (or significant reduction) on the UMEF of particulates and trace pollutants. Some rather minor increase of pollutants’ release was detected only for the following situations; usage of carbon dust and wood chips slightly increased concentration of total PAHs, waste solvents increased levels of chromium and dioxins, and tire‐derived fuel caused concentration increase of most metals and total PCBs. The co‐combustion of ADF substitute has identified the key process parameters contributing to contaminate suppression being (i) complete combustion; (ii) percentage of ADF substitution and firing rate; (iii) pre‐calciner fuel calorific value and firing rate, gas temperature, and material temperature; (iv) rotary kiln fuel calorific value and firing rate, flame temperature, and residence time, and the gas and material temperatures; and (v) fuel/air ratio.
Targeted Delivery of Proteasome Inhibitors to Somatostatin‐Receptor‐Expressing Cancer Cells by Octreotide Conjugation
Authors: Beck Philipp , Cui Haissi , Hegemann Julian D. , Marahiel Mohammed A. , Krüger Achim , Groll Michael
Published: October 2015

Clinical application of proteasome inhibitors (PIs) is so far limited to peripheral blood cancers due to the pronounced cytotoxicity towards all cell types. Targeted delivery of PIs could permit the treatment of other cancers along with decreasing side effects. Herein we describe the first small‐molecule proteasome inhibitor conjugate for targeted delivery, created by fusing PIs to a synthetic ligand of somatostatin receptors, which are highly expressed in a variety of tumors. X‐ray crystallographic studies and in vitro IC50 measurements demonstrated that addition of the cyclopeptide octreotide as a targeting vehicle does not affect the PI's binding mode. The cytotoxicity of the conjugate against somatostatin‐receptor‐expressing cells was up to 11‐fold higher than that of a non‐targeting surrogate. We have therefore established PIs as a new payload for drug conjugates and have shown that targeted delivery thereof could be a promising approach for the broader application of this FDA‐approved class of compounds.
A guide to uncertainty quantification and sensitivity analysis for cardiovascular applications
Authors: Eck Vinzenz Gregor , Donders Wouter Paulus , Sturdy Jacob , Feinberg Jonathan , Delhaas Tammo , Hellevik Leif Rune , Huberts Wouter
Published: October 2015

As we shift from population‐based medicine towards a more precise patient‐specific regime guided by predictions of verified and well‐established cardiovascular models, an urgent question arises: how sensitive are the model predictions to errors and uncertainties in the model inputs? To make our models suitable for clinical decision‐making, precise knowledge of prediction reliability is of paramount importance. Efficient and practical methods for uncertainty quantification (UQ) and sensitivity analysis (SA) are therefore essential. In this work, we explain the concepts of global UQ and global, variance‐based SA along with two often‐used methods that are applicable to any model without requiring model implementation changes: Monte Carlo (MC) and polynomial chaos (PC). Furthermore, we propose a guide for UQ and SA according to a six‐step procedure and demonstrate it for two clinically relevant cardiovascular models: model‐based estimation of the fractional flow reserve (FFR) and model‐based estimation of the total arterial compliance (CT). Both MC and PC produce identical results and may be used interchangeably to identify most significant model inputs with respect to uncertainty in model predictions of FFR and CT. However, PC is more cost‐efficient as it requires an order of magnitude fewer model evaluations than MC. Additionally, we demonstrate that targeted reduction of uncertainty in the most significant model inputs reduces the uncertainty in the model predictions efficiently. In conclusion, this article offers a practical guide to UQ and SA to help move the clinical application of mathematical models forward. Copyright © 2015 John Wiley & Sons, Ltd.
Finite Energy Method for Compressible Fluids: The Navier‐Stokes‐Korteweg Model
Authors: Germain Pierre , LeFloch Philippe
Published: October 2015

This is the first of a series of papers devoted to the initial value problem for the one‐dimensional Euler system of compressible fluids and augmented versions containing higher‐order terms. In the present paper, we are interested in dispersive shock waves and analyze the zero viscosity‐capillarity limit associated with the Navier‐Stokes‐Korteweg system. Specifically, we establish the existence of finite energy solutions as well as their convergence toward entropy solutions to the Euler system. Our method of proof combines energy and effective energy estimates, a nonlinear Sobolev inequality, high‐integrability properties for the mass density and for the velocity, and compactness properties based on entropies.© 2015 Wiley Periodicals, Inc.
Joint‐analysis of performance and energy consumption when enabling cloud elasticity for synchronous HPC applications
Authors: da Rosa Righi Rodrigo , da Costa Cristiano André , Rodrigues Vinicius Facco , Rostirolla Gustavo
Published: October 2015

A key characteristic of cloud computing is elasticity, automatically adjusting system resources to an application's workload. Both reactive and horizontal approaches represent traditional means to offer this capability, in which rule‐condition‐action statements and upper and lower thresholds occur to instantiate or consolidate compute nodes and virtual machines. Although elasticity can be beneficial for many HPC (high‐performance computing) scenarios, it also imposes significant challenges in the development of applications. In addition to issues related to how we can incorporate this new feature in such applications, there is a problem associated with the performance and resource pair and, consequently, with energy consumption. Further exploring this last difficulty, we must be capable of analyzing elasticity effectiveness as a function of employed thresholds with clear metrics to compare elastic and non‐elastic executions properly. In this context, this article explores elasticity metrics in two ways: (i) the use of a cost function that combines application time with different energy models; (ii) the extension of speedup and efficiency metrics, commonly used to evaluate parallel systems, to cover cloud elasticity. To accomplish (i) and (ii), we developed an elasticity model known as AutoElastic, which reorganizes resources automatically across synchronous parallel applications. The results, obtained with the AutoElastic prototype using the OpenNebula middleware, are encouraging. Considering a CPU‐bound application, an upper threshold close to 70% was the best option for obtaining good performance with a non‐prohibitive elasticity cost. In addition, the value of 90% for this threshold was the best option when we plan an efficiency‐driven execution. Copyright © 2015 John Wiley & Sons, Ltd.
In situ Poly(methyl methacrylate)/Graphene Composite Gel Electrolytes for Highly Stable Dye‐Sensitized Solar Cells
Authors: Kang Yu‐il , Moon Jun Hyuk
Published: October 2015

Dye‐sensitized solar cells (DSCs) with long‐term stability are produced using polymer‐gel electrolytes (PGEs). In this study, we introduce the formation of PGEs using in situ gelation with poly(methyl methacrylate) (PMMA) particles and graphene fillers that are pre‐deposited on the counter electrodes. We obtain a high concentration PMMA‐based PGEs (i.e., over 10 wt %). A DSC composed of a PMMA/graphene composite PGEs exhibits an 8.49 % photon‐to‐electric conversion efficiency, which is comparable to conventional liquid electrolyte DSCs. This finding is attributed to increased ion diffusivity and conductivity of the PMMA‐based PGEs resulting from the incorporation of graphene nanofillers. The PMMA‐based PGE DSCs exhibit highly stable long‐term efficiencies, maintaining up to 90 % of their initial efficiency during thermal soaking, whereas the efficiencies of liquid electrolyte cells decrease significantly, by up to 60 %.
A TiO2 Nanofiber–Carbon Nanotube‐Composite Photoanode for Improved Efficiency in Dye‐Sensitized Solar Cells
Authors: Macdonald Thomas J. , Tune Daniel D. , Dewi Melissa R. , Gibson Christopher T. , Shapter Joseph G. , Nann Thomas
Published: October 2015

Invited for this month's cover of ChemSusChem is the group of Thomas Nann (University of South Australia) and Joe Shapter (Flinders University). The image shows a TiO2/SWCNT dye‐sensitized solar cell (DSSC), which includes a scanning electron microscopy (SEM) image rendered to show a three‐dimensional representation of the lawn‐like nanocomposite. The Communication itself is available at 10.1002/cssc.201500945.