bluuebunny/crossref_metadata_2025 huggingface dataset:
On the relationship between the Madden‐Julian Oscillation and 2 m air temperature over central Asia in boreal winter
Authors: Zhou Yang , Lu Youyu , Yang Ben , Jiang Jing , Huang Anning , Zhao Yong , La Mengke , Yang Qing
Published: November 2016

Linear regression is used to explore the relationship between the Madden‐Julian oscillation (MJO) and 2 m air temperature (T2M) over central Asia in boreal winter during 1979–2012. During MJO phases 3 and 4 (7 and 8), T2M anomalies exhibit a significantly strong, negative (positive) response to the MJO from the Arabian Sea to northwestern China. The anomalies of T2M are essentially influenced by surface net downward long (Ldown) and shortwave radiations, which are caused by the changes in total cloud cover (TCC) and low‐level tropospheric air temperature. The anomalies of Ldown that are caused by TCC account for 20–65% of total Ldown. The remaining anomalies of total Ldown are explained by low‐level air temperature changes. The 850 hPa air temperature (T850) tendency is mainly affected by the vertical motion over central Asia during MJO phases 1, 2, 4–6, and 8, as well as over northern India during phases 3 and 7. Over Saudi Arabia, Afghanistan, Pakistan, Kazakhstan, and northwestern China, the anomalies of T850 tendency are mainly explained by the temperature advection during phases 3 and 7. TCC and vertical motion are affected by the evolution of the MJO event. The cyclonic (anticyclonic) circulation related to the MJO over central Asia during phases 3 and 4 (7 and 8) causes the transport of cold (warm) air over central Asia. The MJO can be a useful intraseasonal signal to predict winter T2M over central Asia, where temperatures would be colder (warmer) than normal during MJO phases 3 and 4 (7 and 8).
Environmental drivers of mesozooplankton biomass variability in the North Pacific Subtropical Gyre
Authors: Valencia Bellineth , Landry Michael R. , Décima Moira , Hannides Cecelia C. S.
Published: November 2016

The environmental drivers of zooplankton variability are poorly explored for the central subtropical Pacific, where a direct bottom‐up food‐web connection is suggested by increasing trends in primary production and mesozooplankton biomass at station ALOHA (A Long‐term Oligotrophic Habitat Assessment) over the past 20 years (1994–2013). Here we use generalized additive models (GAMs) to investigate how these trends relate to the major modes of North Pacific climate variability. A GAM based on monthly mean data explains 43% of the temporal variability in mesozooplankton biomass with significant influences from primary productivity (PP), sea surface temperature (SST), North Pacific Gyre Oscillation (NPGO), and El Niño. This result mainly reflects the seasonal plankton cycle at station ALOHA, in which increasing light and SST lead to enhanced nitrogen fixation, productivity, and zooplankton biomass during summertime. Based on annual mean data, GAMs for two variables suggest that PP and 3–4 year lagged NPGO individually account for ~40% of zooplankton variability. The full annual mean GAM explains 70% of variability of zooplankton biomass with significant influences from PP, 4 year lagged NPGO, and 4 year lagged Pacific Decadal Oscillation (PDO). The NPGO affects wind stress, sea surface height, and subtropical gyre circulation and has been linked to mideuphotic zone anomalies in salinity and PP at station ALOHA. Our study broadens the known impact of this climate mode on plankton dynamics in the North Pacific. While lagged transport effects are also evident for subtropical waters, our study highlights a strong coupling between zooplankton fluctuations and PP, which differs from the transport‐dominated climate influences that have been found for North Pacific boundary currents.
(Un)Coupled thrust belt‐foreland deformation in the northern Patagonian Andes: New insights from the Esquel‐Gastre sector (41°30′–43°S)
Authors: Savignano E. , Mazzoli S. , Arce M. , Franchini M. , Gautheron C. , Paolini M. , Zattin M.
Published: November 2016

The Patagonian Andes represents a unique natural laboratory to study surface deformation in relation to deep slab dynamics. In the sector comprised between latitudes 41°30′ and 43°S, new apatite (U‐Th)/He ages indicate a markedly different unroofing pattern between the “broken foreland” area (characterized by Late Cretaceous to Paleogene exhumation) and the adjacent Andean sector to the west, which is dominated by Miocene‐Pliocene exhumation. These unroofing stages can be confidently ascribed to inversion tectonics involving reverse fault‐related uplift and concomitant erosion. Late Cretaceous‐Paleogene shortening and exhumation are well known to have affected also the thrust belt sector of the study area during a prolonged stage of flat‐slab subduction. Therefore, the different ages of near‐surface unroofing documented in this study suggest coupling of the deformation between the thrust belt and its foreland during periods of flat‐slab subduction (e.g., during Late Cretaceous‐Paleogene times) and dominant uncoupling during periods of steep‐slab subduction and rollback, even when these are associated with high convergence rates (i.e., > 4 cm/yr), as those documented in Miocene times for the Patagonian Andes.
A Critical Review of Mg–Zn–Y Series Alloys Containing I, W, and LPSO Phases
Authors: Tahreen Nabila , Chen Dao Lun
Published: November 2016

Magnesium and its alloys are playing an increasingly important role in the transportation industry due to the pressing demand of lightweight structures to improve fuel efficiency and reduce CO2 emissions. But the shortcomings of poor room temperature (RT) formability and high temperature strength, tension–compression asymmetry, and anisotropy are among the major issues which are currently limiting their widespread applications. Recently, research and development activities of Mg–Zn–Y series alloys have significantly increased because of their superior mechanical properties arising from the formation of different ternary phases known as I (Mg3YZn6), W (Mg3Y2Zn3), and LPSO (Mg12YZn). In this review article, the crystal structure of these phases and their orientation relationships with hexagonal magnesium matrix are discussed. Recent advances about I, W, and LPSO phase containing Mg alloys are presented, along with the effects of these phases on the microstructural evolution and mechanical properties including tensile, compressive, fatigue, and creep resistance. Important aspects involving thermal stability, phase transformation, and influence of heat treatment are also described. Based on the current status, some existing issues are pointed out and further studies are suggested so as to warrant safe and reliable lightweight structural applications of Mg–Zn–Y alloys in the automotive industry.
Correlation between Boundary Misorientation and a Geometric Parameter for Cross‐Boundary Twins in Mg Alloys
Authors: Huang Qiaoli , Xin Renlong
Published: November 2016

Cross‐boundary twins (referred to as twin pairs) are frequently observed at grain boundaries with small grain boundary angle (θ) in deformed Mg alloys. This study calculates the distribution of the high peak geometric compatibility factor (m′) values over potential variants with θ. The misorientation angles (α) between the potential variants of twin pairs are also evaluated. It reveals that α is a reasonable reflection of the m′ parameter for ideal basal texture. There is a clear variant with high m′, but there may be two variants with similar small values of α. Moreover, it shows that θ correlates reasonably with high peak values of m′, particularly below 30° of misorientation.
Recent Progress in Ionic Iridium(III) Complexes for Organic Electronic Devices
Authors: Ma Dongxin , Tsuboi Taiju , Qiu Yong , Duan Lian
Published: November 2016

Ionic iridium(III) complexes are emerging with great promise for organic electronic devices, owing to their unique features such as ease of molecular design and synthesis, excellent photophysical properties, superior redox stability, and highly efficient emissions of virtually all colors. Here, recent progress on new material design, regarding photo‐ and electroluminescence is highlighted, including several interesting topics such as: i) color‐tuning strategies of cationic iridium(III) complexes, ii) widespread utilization in phosphorescent light‐emitting devices fabricated by not only solution processes but also vacuum evaporation deposition, and iii) potential applications in data record, storage, and sercurity. Results on anionic iridium(III) complexes and “soft salts” are also discussed, indicating a new related subject. Finally, a brief outlook is suggested, pointing out that ionic iridium(III) complexes should play a more significant role in future organic electronic materials technology.
Ultrathin Fluidic Laminates for Large‐Area Façade Integration and Smart Windows
Authors: Heiz Benjamin P. V. , Pan Zhiwen , Lautenschläger Gerhard , Sirtl Christin , Kraus Matthias , Wondraczek Lothar
Published: November 2016

Buildings represent more than 40% of Europe's energy demands and about one third of its CO2 emissions. Energy efficient buildings and, in particular, building skins have therefore been among the key priorities of international research agendas. Here, glass–glass fluidic devices are presented for large‐area integration with adaptive façades and smart windows. These devices enable harnessing and dedicated control of various liquids for added functionality in the building envelope. Combining a microstructured glass pane, a thin cover sheet with tailored mechanical performance, and a liquid for heat storage and transport, a flat‐panel laminate is generated with thickness adapted to a single glass sheet in conventional windows. Such multimaterial devices can be integrated with state‐of‐the‐art window glazings or façades to harvest and distribute thermal as well as solar energy by wrapping buildings into a fluidic layer. High visual transparency is achieved through adjusting the optical properties of the employed liquid. Also secondary functionality, such as chromatic windows, polychromatism, or adaptive energy uptake can be generated on part of the liquid.
Continuous‐time scheduling formulation for straight pipelines
Authors: Mostafaei Hossein , Castro Pedro M.
Published: November 2016

Pipelines represent the most cost‐effective way of transporting large quantities of refined petroleum products over large distances but can be challenging to operate. In this article, we propose a new mixed‐integer linear programming formulation for scheduling straight pipelines with multiple single and dual purpose nodes. The model allows for simultaneous injections and deliveries, and interacting pumping runs, in which a segment of the pipeline simultaneously receives material from its refinery and upstream segment. In contrast to previous batch centric models, it uses segment dependent coordinates. To make it efficient by design, we rely on generalized disjunctive programming and develop disjunctions for which the convex hull reformulation is simple (roughly the same number of variables and constraints as its big‐M counterpart). Through the solution of a set of test cases from the literature, we show a better utilization of the pipeline capacity that is translated into a lower makespan. © 2016 American Institute of Chemical Engineers AIChE J, 63: 1923–1936, 2017
An elderly Jervell and Lange‐Nielsen patient heterozygous compound for two new KCNQ1 mutations
Authors: Coto Eliecer , García‐Fernández Francisco J. , Calvo David , Salgado‐Aranda Ricardo , Martín‐González Javier , Alonso Belén , Iglesias Sara , Gómez Juan
Published: November 2016

We present the case of a 66‐year‐old female with early onset deafness and seizures, who was diagnosed with epilepsy at the age of 2 years. She received antiepileptic drugs and was free of syncope episodes for 32 years. After a syncope at the age of 34, the ECG was characteristic of long‐QT syndrome and was treated with antiarrhythmic drugs. Sequencing of the KCNQ1 gene identified two novel KCNQ1 variants interpreted to be pathogenic, and the patient was finally diagnosed with Jervell and Lange‐Nielsen syndrome. © 2016 Wiley Periodicals, Inc.
Identification of extreme motor phenotypes in Huntington's disease
Authors: Braisch Ulrike , Hay Birgit , Muche Rainer , Rothenbacher Dietrich , Landwehrmeyer G. Bernhard , Long Jeffrey D. , Orth Michael ,   REGISTRY Investigators of the European Huntington's Disease Network and COHORT Investigators of the Huntington Study Group
Published: November 2016

The manifestation of motor signs in Huntington's disease (HD) has a well‐known inverse relationship with HTT CAG repeat length, but the prediction is far from perfect. The probability of finding disease modifiers is enhanced in individuals with extreme HD phenotypes. We aimed to identify extreme HD motor phenotypes conditional on CAG and age, such as patients with very early or very late onset of motor manifestation. Retrospective data were available from 1,218 healthy controls and 9,743 HD participants with CAG repeats ≥40, and a total of about 30,000 visits. Boundaries (2.5% and 97.5% quantiles) for extreme motor phenotypes (UHDRS total motor score (TMS) and motor age‐at‐onset) were estimated using quantile regression for longitudinal data. More than 15% of HD participants had an extreme TMS phenotype for at least one visit. In contrast, only about 4% of participants were consistent TMS extremes at two or more visits. Data from healthy controls revealed an upper cut‐off of 13 for the TMS representing the extreme of motor ratings for a normal aging population. In HD, boundaries of motor age‐at‐onset based on diagnostic confidence or derived from the TMS data cut‐off in controls were similar. In summary, a UHDRS TMS of more than 13 in an individual carrying the HD mutation indicates a high likelihood of motor manifestations of HD irrespective of CAG repeat length or age. The identification of motor phenotype extremes can be useful in the search for disease modifiers, for example, genetic or environmental such as medication. © 2016 Wiley Periodicals, Inc.
Phylogeny, phylogenetic inference, and cranial evolution in pitheciids and Aotus
Authors: Bjarnason Alexander , Soligo Christophe , Elton Sarah
Published: November 2016

Pitheciids, one of the major radiations of New World monkeys endemic to South and Central America, are distributed in the Amazon and Orinoco basins, and include Callicebus, Cacajao, Chiropotes, and Pithecia. Molecular phylogenetics strongly support pitheciid monophyly, whereas morphological analyses infer a range of phylogenies including a sister relationship between Aotus and Callicebus. We collected geometric morphometric cranial data from pitheciids and Aotus, and used cranial data for distance‐based phylogenetic analysis and tests of phylogenetic signal. Phylogenetic analyses of pitheciids were repeated with Lagothrix, Callimico, and Saimiri outgroups for Procrustes shape with and without Aotus based on the whole cranium and six anatomical regions. All phylogenetic signal tests were significant, and tree lengths were shortest and had the least morphological change over the phylogeny for Procrustes residuals from the cranial base and palate. The majority of phylogenetic analyses of Procrustes shape for pitheciids without Aotus supported the molecular phylogeny, and with Aotus included the majority inferred an Aotus–Callicebus clade, although three analyses with Callimico as outgroup supported the molecular phylogeny. The morphological similarity of Aotus and Callicebus is likely a mix of plesiomorphy, allometry, and homoplasy, and future phylogenetic inference of living and extinct platyrrhine taxa should consider the impact of these factors alongside outgroup selection and cranial region.
Partially shared consensus decision making and distributed leadership in vervet monkeys: older females lead the group to forage
Authors: Lee Hillary C. , Teichroeb Julie A.
Published: November 2016

Objectives

Group living can be advantageous, but for motile organisms, collective movements become necessary. We are just beginning to understand the many ways that animal groups make movement decisions and maintain cohesion. We examined start attempts and success in leading collective group movements in vervet monkeys (Chlorocebus pygerythrus) characterized by matrilineal groups and territoriality.

Materials and methods

We recorded 179 start attempts in a single group of vervets at Lake Nabugabo, Uganda and examined individual success in three situations (departing from sleeping site, moving to forage, returning to sleeping site) relative to dominance rank, age, and sex.

Results

Sex and age were associated with both the number of start attempts and success in leading group movements, but there was no effect of dominance rank. Older females were most successful at leading group movements, especially toward foraging sites, while adult and subadult males almost always led the group out of the sleeping site.

Discussion

Collective group movements in vervet monkeys appear to be based on distributed leadership and partially shared consensus decision making. Older females may be repositories of ecological knowledge, resulting in their success at leading the group to forage. Male motivation to lead the way out of the sleeping site appeared related to accessing human food sources before other group members. Young natal males achieved some success leading group progressions because they were motivated to make many initiations, which may be related to their life‐stage. These results give us a better understanding of the processes underlying collective movements in cohesive animal groups.
Bifid median nerve in a patient with carpal tunnel syndrome: A case report and literature review
Authors: Narayan Sharwan
Published: November 2016

A middle‐aged man with Carpal tunnel syndrome without any known predisposing risk factors is presented. Ultrasonography demonstrated two structures within the left carpal tunnel with similar echo pattern as median nerve, thus confirming an anatomical variation in the median nerve, described in the literature as bifid median nerve. The knowledge of the existence of bifid median nerve is an important factor in planning surgical decompression of median nerve to avoid nerve and persistent median artery injuries and/or potential relapse if decompression of both branches is not carried out. In addition, this knowledge is important in deciding whether to inject above the bifurcation or into the epineurial of individual nerve trunks in the setting of planned symptomatic corticosteroid injections. In conclusion, bifid median nerve is an anatomic variant that may contribute to carpal tunnel syndrome and can be demonstrated ultrasonographically. It is important to be aware of this anomaly when planning carpal tunnel release surgery and symptomatic corticosteroid injections.
Evaluating agricultural bet‐hedging strategies in the Kona Field System: New high‐precision 230Th/U and 14C dates and plant microfossil data from Kealakekua, Hawai‘i Island
Authors: McCOY MARK D. , MULROONEY MARA A. , HORROCKS MARK , CHENG HAI , LADEFOGED THEGN N.
Published: November 2016

The Kona Field System, located on the leeward side of Hawai‘i Island, is comprised of a network of stone field walls, terraces, mounds and other agricultural, residential and religious features stretched over an estimated 163 km2. Previous research indicates a construction history of the fields that could have begun as early as the Foundation Period (AD 1000–1200), followed by a shift in agricultural strategies from those that reduce variance in yield (AD 1450–1600) to a strategy of production maximisation (after AD 1600) attributed to the growing political economy. However, these propositions are based on radiocarbon dates, many of which do not meet minimal standards for acceptable sample selection. We report the results of new excavations at the Amy Greenwell Ethnobotanical Garden in Kealakekua that suggest (1) that agricultural infrastructural improvements were being made by AD 1400, and (2) that agronomic infrastructure continued to be added to optimal lands and elsewhere after AD 1700 as decisions regarding agricultural strategies became coopted by political elites. There remains a great deal about the Kona Field System that is still poorly documented through archaeology.
Evaluation of an innovative hands‐on anatomy‐centered ultrasound curriculum to supplement graduate gross anatomy education
Authors: Royer Danielle F. , Kessler Ross , Stowell Jeffrey R.
Published: November 2016

Ultrasound (US) can enhance anatomy education, yet is incorporated into few non‐medical anatomy programs. This study is the first to evaluate the impact of US training in gross anatomy for non‐medical students in the United States. All 32 master's students enrolled in gross anatomy with the anatomy‐centered ultrasound (ACUS) curriculum were recruited. Mean Likert ratings on pre‐ and post‐course surveys (100% response rates) were compared to evaluate the effectiveness of the ACUS curriculum in developing US confidence, and gauge its impact on views of US. Post‐course, students reported significantly higher (P < 0.001) mean confidence ratings in five US skills (pre‐course versus post‐course mean): obtaining scans (3.13 ±1.04 versus 4.03 ±0.78), optimizing images (2.78 ±1.07 versus 3.75 ±0.92), recognizing artifacts (2.94 ±0.95 versus 3.97 ±0.69), distinguishing tissue types (2.88 ±0.98 versus 4.09 ±0.69), and identifying structures (2.97 ±0.86 versus 4.03 ±0.59), demonstrating the success of the ACUS curriculum in students with limited prior experience. Views on the value of US to anatomy education and to students' future careers remained positive after the course. End‐of‐semester quiz performance (91% response rate) provided data on educational outcomes. The average score was 79%, with a 90% average on questions about distinguishing tissues/artifacts, demonstrating positive learning outcomes and retention. The anatomy‐centered ultrasound curriculum significantly increased confidence with and knowledge of US among non‐medical anatomy students with limited prior training. Non‐medical students greatly value the contributions that US makes to anatomy education and to their future careers. It is feasible to enhance anatomy education outside of medical training by incorporating US. Anat Sci Educ 10: 348–362. © 2016 American Association of Anatomists.
Configurationally Stable Chiral Dithia‐Bridged Hetero[4]helicene Radical Cation: Electronic Structure and Absolute Configuration
Authors: Gliemann Bettina D. , Petrovic Ana G. , Zolnhofer Eva M. , Dral Pavlo O. , Hampel Frank , Breitenbruch Georg , Schulze Philipp , Raghavan Vijay , Meyer Karsten , Polavarapu Prasad L. , Berova Nina , Kivala Milan
Published: November 2016

A stable chiral hetero[4]helicene radical cation was synthesized and characterized by UV/Vis absorption and EPR spectroscopy, as well as X‐ray crystallography. For the first time, a combination of chiroptical methods involving ECD, ORD, and VCD, supported by quantum mechanical predictions, enabled the elucidation of the absolute configuration of such open‐shell helical species.
An assessment of the potential products and economic and environmental impacts resulting from a billion ton bioeconomy
Authors: Rogers Jonathan N. , Stokes Bryce , Dunn Jennifer , Cai Hao , Wu May , Haq Zia , Baumes Harry
Published: November 2016

This paper is the summation of several analyses to assess the size and benefits of a Billion Ton Bioeconomy, a vision to enable a sustainable market for producing and converting a billion tons of US biomass to bio‐based energy, fuels, and products by 2030. Two alternative biomass availability scenarios in 2030, defined as the (i) Business‐as‐usual (598 million dry tons) and (ii) Billion Ton (1042 million dry tons), establish a range of possible outcomes for the future bioeconomy. The biomass utilized in the current (2014) (365 million dry tons) economy is estimated to displace approximately 2.4% of fossil energy consumption and avoid 116 million tons of CO2‐equivalent (CO2e) emissions, whereas the Billion Ton bioeconomy of 2030 could displace 9.5% of fossil energy consumption and avoid as much as 446 million tons of CO2 equivalent emissions annually. Developing the integrated systems, supply chains, and infrastructure to efficiently grow, harvest, transport, and convert large quantities of biomass in a sustainable way could support the transition to a low‐carbon economy. Bio‐based activities in the current (2014) economy are estimated to have directly generated more than $48 billion in revenue and 285 000 jobs. Our estimates show that developing biomass resources and addressing current limitations to achieve a Billion Ton bioeconomy could expand direct bioeconomy revenue by a factor of 5 to contribute nearly $259 billion and 1.1 million jobs to the US economy by 2030. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Integration of parallel 13C‐labeling experiments and in silico pathway analysis for enhanced production of ascomycin
Authors: Qi Haishan , Lv Mengmeng , Song Kejing , Wen Jianping
Published: November 2016

Herein, the hyper‐producing strain for ascomycin was engineered based on 13C‐labeling experiments and elementary flux modes analysis (EFMA). First, the metabolism of non‐model organism Streptomyces hygroscopicus var. ascomyceticus SA68 was investigated and an updated network model was reconstructed using 13C‐ metabolic flux analysis. Based on the precise model, EFMA was further employed to predict genetic targets for higher ascomycin production. Chorismatase (FkbO) and pyruvate carboxylase (Pyc) were predicted as the promising overexpression and deletion targets, respectively. The corresponding mutant TD‐FkbO and TD‐ΔPyc exhibited the consistency effects between model prediction and experimental results. Finally, the combined genetic manipulations were performed, achieving a high‐yield ascomycin engineering strain TD‐ΔPyc‐FkbO with production up to 610 mg/L, 84.8% improvement compared with the parent strain SA68. These results manifested that the integration of 13C‐labeling experiments and in silico pathway analysis could serve as a promising concept to enhance ascomycin production, as well as other valuable products. Biotechnol. Bioeng. 2017;114: 1036–1044. © 2016 Wiley Periodicals, Inc.
Model‐based investigation of intracellular processes determining antibody Fc‐glycosylation under mild hypothermia
Authors: Sou Si Nga , Jedrzejewski Philip M. , Lee Ken , Sellick Christopher , Polizzi Karen M. , Kontoravdi Cleo
Published: November 2016

Despite the positive effects of mild hypothermic conditions on monoclonal antibody (mAb) productivity (qmAb) during mammalian cell culture, the impact of reduced culture temperature on mAb Fc‐glycosylation and the mechanism behind changes in the glycan composition are not fully established. The lack of knowledge about the regulation of dynamic intracellular processes under mild hypothermia restricts bioprocess optimization. To address this issue, a mathematical model that quantitatively describes Chinese hamster ovary (CHO) cell behavior and metabolism, mAb synthesis and mAb N‐linked glycosylation profile before and after the induction of mild hypothermia is constructed. Results from this study show that the model is capable of representing experimental results well in all of the aspects mentioned above, including the N‐linked glycosylation profile of mAb produced under mild hypothermia. Most importantly, comparison between model simulation results for different culture temperatures suggests the reduced rates of nucleotide sugar donor production and galactosyltransferase (GalT) expression to be critical contributing factors that determine the variation in Fc‐glycan profiles between physiological and mild hypothermic conditions in stable CHO transfectants. This is then confirmed using experimental measurements of GalT expression levels, thereby closing the loop between the experimental and the computational system. The identification of bottlenecks within CHO cell metabolism under mild hypothermic conditions will aid bioprocess optimization, for example, by tailoring feeding strategies to improve NSD production, or manipulating the expression of specific glycosyltransferases through cell line engineering. Biotechnol. Bioeng. 2017;114: 1570–1582. © 2016 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals Inc.
Noninvasive assessment of tissue‐engineered graft viability by oxygen‐17 magnetic resonance spectroscopy
Authors: Einstein Samuel A. , Weegman Bradley P. , Kitzmann Jennifer P. , Papas Klearchos K. , Garwood Michael
Published: November 2016

Transplantation of macroencapsulated tissue‐engineered grafts (TEGs) is being investigated as a treatment for type 1 diabetes, but there is a critical need to measure TEG viability both in vitro and in vivo. Oxygen deficiency is the most critical issue preventing widespread implementation of TEG transplantation and delivery of supplemental oxygen (DSO) has been shown to enhance TEG survival and function in vivo. In this study, we demonstrate the first use of oxygen‐17 magnetic resonance spectroscopy (17O‐MRS) to measure the oxygen consumption rate (OCR) of TEGs and show that in addition to providing therapeutic benefits to TEGs, DSO with 17O2 can also enable measurements of TEG viability. Macroencapsulated TEGs containing βTC3 murine insulinoma cells were prepared with three fractional viabilities and provided with 17O2. Cellular metabolism of 17O2 into nascent mitochondrial water (H217O) was monitored by 17O‐MRS and, from the measured data, OCR was calculated. For comparison, OCR was simultaneously measured on a separate, but equivalent sample of cells with a well‐established stirred microchamber technique. OCR measured by 17O‐MRS agreed well with measurements made in the stirred microchamber device. These studies confirm that 17O‐MRS can quantify TEG viability noninvasively. Biotechnol. Bioeng. 2017;114: 1118–1121. © 2016 Wiley Periodicals, Inc.
A New Efficient Conformational Search Method for ab initio Protein Folding Study: Window Growth Evolutionary Algorithm
Authors: Shin Jae‐Min , Lee Byungkook , Cho Kwang‐Hwi
Published: November 2016

A new conformational search method, WGEA (window growth evolutionary algorithm), is described. In this method, a trial conformation is selected or rejected on the basis of the energy of a selected window of w consecutive residues only; interactions between residues beyond the selected window are ignored. The position of the window is selected randomly in a Monte‐Carlo procedure. The window size w is changed slowly, from a minimum of 6 to the full length of the protein. An ensemble of structures is generated at each window size from which a fixed number of conformations are selected to be used as seed conformations for the next window size. When the root‐mean‐square (RMS) deviation from the experimental structure is used as the energy function and six discrete dihedral angle states are used for each residue to describe the protein conformation, WGEA efficiently refolds 14 model proteins within Cα RMS deviation of 1.2–2.8 Å.
Combining endocytic and freezing‐induced trehalose uptake for cryopreservation of mammalian cells
Authors: Zhang Miao , Oldenhof Harriëtte , Sieme Harald , Wolkers Willem F.
Published: November 2016

Fibroblasts take up trehalose during freezing and thawing, which facilitates cryosurvival of the cells. The aim of this study was to investigate if trehalose uptake via fluid‐phase endocytosis prefreeze increases cryosurvival. To determine endocytic trehalose uptake in attached as well as suspended fibroblasts, intracellular trehalose concentrations were determined during incubation at 37°C using an enzymatically based trehalose assay. In addition, freezing‐induced trehalose uptake of extracellularly added trehalose was determined. Cryosurvival rates were determined via trypan blue staining. Intracellular trehalose contents of attached as well as suspended cells were found to increase linearly with time, consistent with fluid‐phase endocytosis. Furthermore, the intracellular trehalose concentration increased with increasing extracellular trehalose concentration (0–100 mM) in a linear fashion. Prefreeze loading of cells with trehalose via fluid‐phase endocytosis only showed increased cryosurvival rates at extracellular trehalose concentrations lower than 50 mM in the cryopreservation medium. To obtain satisfactory cryosurvival rates after endocytic preloading, extracellular trehalose is needed to prevent efflux of trehalose during freezing and thawing and for freezing‐induced trehalose uptake. At trehalose concentrations greater than 100 mM, cryosurvival rates were similar or slightly higher if cells were not loaded with trehalose prefreeze. Cells that were grown in the presence of trehalose showed a tendency to aggregate after harvesting. It is concluded that it is particularly freezing‐induced trehalose uptake that facilitates cryosurvival when trehalose is used as the sole cryoprotectant for cryopreservation of fibroblasts. Preloading with trehalose does not increase cryosurvival rates if trehalose is also added as extracellular protectant. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 33:229–230, 2017
Surface Alloy or Metal–Cation Interaction‐The State of Zn Promoting the Active Cu Sites in Methanol Synthesis Catalysts
Authors: Großmann Dennis , Klementiev Konstantin , Sinev Ilya , Grünert Wolfgang
Published: November 2016

Model catalysts containing disordered CuO and ZnO species in the pores of SBA‐15 were reduced under different conditions (standard: H2, 513 K; severe: CO/H2, 673 K), studied by X‐ray diffraction (XRD) and X‐ray absorption spectroscopy (XAS) including operando work and used as catalysts for methanol synthesis at pressures up to 8 bar, where they were comparable with a commercial reference in terms of reaction rates related to Cu surface area. Severe reduction caused significant activation of the Cu sites beyond the sizeable level achieved already after standard reduction. In XRD, which failed to detect most of the active components, owing to small particle sizes, weak indications of alloy formation were found after severe reduction. XAFS, which averages over all species present, showed the interaction of Cu with zinc ions to increase by severe reduction, while formation of Zn0 was below detection limit. On this basis, the promoting interaction of Zn to Cu was ascribed to an interaction of zinc cations with Cu0.
Influence of the Surface Chemistry of Multiwalled Carbon Nanotubes on the Selective Conversion of Cellulose into Sorbitol
Authors: Ribeiro Lucília S. , Delgado Juan J. , de Melo Órfão José J. , Ribeiro Pereira M. Fernando
Published: November 2016

Carbon nanotubes (CNT) were submitted to liquid‐phase chemical treatments using HNO3 and subsequently to gas‐phase thermal treatments to incorporate different sets of oxygenated groups on the surface. The modified CNT were used as supports for 0.4 wt % Ru in the direct conversion of ball‐milled cellulose to sorbitol and high conversions were reached after 3 h at 205 °C. Ru supported on the original CNT, although less active, was the most selective catalyst for the one‐pot process (70 % sorbitol selectivity after 2 h). Unlike the one‐pot process, the support acidity greatly promoted the rate of cellulose hydrolysis (35 % increase after 2 h) and the glucose selectivity (12 % increase after 2 h). The rate of glucose hydrogenation was almost not affected by the support modification. However, the catalyst acidity improved the sorbitol selectivity from glucose. The support acidity was a central factor for the one‐pot conversion of cellulose, as well as for the individual hydrolysis and hydrogenation steps, and the original CNT supported Ru catalyst was the most efficient and selective catalyst for the direct conversion of cellulose to sorbitol.
QSAR‐based targeting anaplastic lymphoma kinase (ALK) variants with noncognate inhibitors in pediatric acute lymphoblastic leukemia
Authors: Wang Wei , Zhuo Qing‐Cui , Han Shi‐Jie , Liu Qian
Published: November 2016

Human anaplastic lymphoma kinase (ALK) is a potential target for the treatment of pediatric acute lymphoblastic leukemia. However, a number of residue mutations in ALK kinase domain have been observed to cause drug resistance in pediatric acute lymphoblastic leukemia chemotherapy. Here, a chemometrics quantitative structure‐activity relationship predictor was developed using a structure‐based panel of kinase‐inhibitor activity data. The predictor was validated rigorously through internal cross‐validation and external blind test to ensure its statistical reliability, which was then used to computationally construct a systematic activity profile of 13 noncognate kinase inhibitors against both wild‐type ALKwt and cancer‐related variants ALKvt. It is revealed that most noncognate inhibitors exhibit weak potency on ALKwt, but some of them are able to selectively target ALKvt over ALKwt. The chemometrics findings were then evaluated by using a kinase inhibition protocol; results showed that few noncognate inhibitors are 2‐ to 5‐fold higher potent against ALK variant than wild‐type kinase.
13C MR Hyperpolarization of Lactate by Using ParaHydrogen and Metabolic Transformation in Vitro
Authors: Cavallari Eleonora , Carrera Carla , Aime Silvio , Reineri Francesca
Published: November 2016

Hyperpolarization of the 13C magnetic resonance signal of l‐[1–13C]lactate has been obtained using the chemically based, cost‐effective method called parahydrogen‐induced polarization by means of side‐arm hydrogenation (PHIP–SAH). Two ester derivatives of lactate were tested and the factors that determine the polarization level on the product have been investigated in detail. The metabolic conversion of hyperpolarized l‐[1–13C]lactate into pyruvate has been observed in vitro using lactate dehydrogenase (LDH) and in a cells lysate. From the acquisition of a series of 13C NMR spectra, the metabolic build‐up of the [1–13C]pyruvate signal has been observed. These studies demonstrate that, even if the experimental set‐up used for these PHIP–SAH hyperpolarization studies is still far from optimal, the attained polarization level is already sufficient to carry out in vitro metabolic studies.
Nitroxide‐mediated polymerization of adamantyl‐functional methacrylates for 193 nm photoresists
Authors: Marić Milan , Seok Juliana , Métafiot Adrien , Wylie Kevin
Published: November 2016

Three different methacrylic monomers (γ‐butyrolactone methacrylate (GBLMA), 3‐hydroxyl‐1‐adamantyl methacrylate (HAMA), and 2‐methyl‐2‐adamantyl methacrylate (MAMA)), that are most often terpolymerized for 193 nm photoresists, were studied individually by nitroxide mediated polymerization (NMP) with succinimidyl ester terminated BlocBuilder (NHS‐BlocBuilder) using a small fraction ∼ 0.05 mol/mol (5 mol%) in the initial mixture of 2,3,4,5,6 pentafluorostyrene (PFS) controlling co‐monomer. The copolymerizations were done in 0.35 g/g (35 wt%) dioxane solution and were studied as functions of temperature (75 versus 90 °C) and added free SG1 nitroxide (none versus SG1:NHS‐BlocBuilder molar ratio ≈ 0.15) with the objective of minimizing the dispersity (). MAMA/PFS copolymerizations were not strongly influenced by temperature or addition of free nitroxide, with relatively linear number average molecular weight versus conversion plots and  = 1.28–1.55. Further, MAMA/PFS polymerization kinetics was notably slower compared to GBLMA or HAMA copolymerizations with PFS. For GBLMA/PFS and HAMA/PFS copolymerizations, was reduced at the lower temperature of 75 °C but added SG1 did not play a strong role. For GBLMA/PFS, was reduced from 1.70–1.71 at 90 °C to 1.42–1.50 at 75 °C and for HAMA/PFS, was reduced from 1.36–1.47 at 90 °C to 1.22–1.31 at 75 °C.
CO2 reverse water‐gas shift reaction on mesoporous M‐CeO2 catalysts
Authors: Dai Bican , Zhou Guilin , Ge Shaobing , Xie Hongmei , Jiao Zhaojie , Zhang Guizhi , Xiong Kun
Published: November 2016

Mesoporous M‐CeO2 (M = Ni, Co, Fe, Mn, and Cu) catalysts were prepared using the hard‐template method and applied to investigate CO2 reverse water‐gas shift (RWGS) reaction. The physicochemical properties were studied using H2‐TPR, XRD, BET, CO2‐TPD, and H2‐TPD. Results show that the specific surface areas of the prepared Ni‐CeO2, Co‐CeO2, Fe‐CeO2, Mn‐CeO2, and Cu‐CeO2 catalysts exceed 120 m2/g. CO2 RWGS reaction performances are affected by the d‐orbital holes of transition metals. CO2 RWGS reaction catalytic activities are ranked as follows: Ni‐CeO2 > Cu‐CeO2 > Co‐CeO2 > Fe‐CeO2 ≈ Mn‐CeO2. The Cu‐CeO2, Fe‐CeO2, and Mn‐CeO2 catalysts maintain 100 % CO selectivity at the studied temperature.
Short‐term and long‐term effects of childhood cancer on income from employment and employment status: A national cohort study in Sweden
Authors: Lindahl Norberg Annika , Montgomery Scott M. , Bottai Matteo , Heyman Mats , Hovén Emma I.
Published: November 2016

BACKGROUND

There is insufficient knowledge regarding the economic impact of childhood cancer on parents. The objectives of the current study were to investigate the short‐term and long‐term effects of childhood cancer on mothers' and fathers' income from employment and employment status.

METHODS

The study sample consisted of the parents of children diagnosed with cancer from 2004 to 2009 in Sweden (3626 parents of 1899 children). Annual register data concerning income from employment and employment status (employed/not employed) were retrieved from the Longitudinal Integration Database for Health Insurance and Labor Market Studies. Using generalized linear models, the mean income from employment and employment status were compared with a matched control cohort of 34,874 parents sampled from the general population.

RESULTS

Parents' income was found to decrease significantly after the child's cancer diagnosis. The effect was most pronounced for mothers, whose income was reduced for 6 years after diagnosis, whereas fathers' income was similar to that of control fathers 3 years after the diagnosis. Mothers were more likely to stop working after a child's cancer diagnosis compared with controls. No association was found for fathers' employment status. Younger age of parents; lower level of education; and, among mothers, being born outside of Sweden were found to be associated with more adverse effects on income.

CONCLUSIONS

Parents' income from employment and employment status appear to be adversely affected by having a child with cancer. Socioeconomic consequences are not distributed equally: the income of fathers appears to catch up after a few years, whereas mothers tend to be disadvantaged in their professional life for several years after a child's cancer diagnosis. Cancer 2017;123:1238–1248. © 2016 American Cancer Society.
Distinguishing the Protonation State of the Histidine Ligand to the Oxidized Iron–Sulfur Cluster from the MitoNEET Family of Proteins
Authors: Koval Ashlyn M. , Jagger Benjamin R. , Wheeler Ralph A.
Published: November 2016

The iron–sulfur cluster located in the recently discovered human mitoNEET protein (and related proteins) is structurally similar to the more well‐known ferredoxin and Rieske clusters. Although its biological function is uncertain, the iron–sulfur cluster in mitoNEET has been proposed to undergo proton‐coupled electron transfer involving the histidine ligand to the cluster. The cluster is also released from the protein at low pH. This contribution reports density functional calculations to model the structures, vibrations, and Heisenberg coupling constants (J) for high‐spin (HS), broken symmetry (BS) singlet, and extended broken symmetry (EBS) singlet states of the oxidized iron‐sulfur cluster from mitoNEET. This work suggests that J values or 15N isotopic frequency shifts may provide methods for determining experimentally whether the histidine ligand to the oxidized iron‐sulfur cluster in human mitoNEET and mitoNEET‐related proteins is protonated or deprotonated.
High‐resolution Raman Spectroscopy for the Nanostructural Characterization of Explosive Nanodiamond Precursors
Authors: Deckert‐Gaudig Tanja , Pichot Vincent , Spitzer Denis , Deckert Volker
Published: November 2016

The specific attributes of nanodiamonds have attracted increasing interest for electronics or biomedical applications. An efficient synthetic route towards nanodiamonds is via detonation of hexolite (i.e. a mixture of TNT [2,4,6‐trinitrotoluene] and RDX [1,3,5‐trinitro‐1,3,5‐triazine]). In particular, detonation of hexolite crystallized by spray flash evaporation (SFE) yields extremely small diamonds (<4 nm). To unravel the detonation mechanism, a structural characterization of the explosives is required but is challenging due to their thermal instability. We demonstrate a combination of conventional Raman spectroscopy and tip‐enhanced Raman spectroscopy (TERS) for resolving morphological and structural differences of differently prepared hexolite nanocomposites. The experiments allow for the first time a structural differentiation of individual TNT and RDX crystals and 15–20 nm sized core–shell structures, consequently providing a general approach to investigate the actual composition of mixtures on the nanometer scale.
Contrasting strategies of hydraulic control in two codominant temperate tree species
Authors: Matheny Ashley M. , Fiorella Richard P. , Bohrer Gil , Poulsen Christopher J. , Morin Timothy H. , Wunderlich Alyssa , Vogel Christoph S. , Curtis Peter S.
Published: November 2016

Biophysical controls on plant water status exist at the leaf, stem, and root levels. Therefore, we pose that hydraulic strategy is a combination of traits governing water use at each of these three levels. We studied sap flux, stem water storage, stomatal conductance, photosynthesis, and growth of red oaks (Quercus rubra) and red maples (Acer rubrum). These species differ in stomatal hydraulic strategy and xylem architecture and may root at different depths. Stable isotope analysis of xylem water was used to identify root water uptake depth. Oaks were shown to access a deeper water source than maples. During non‐limiting soil moisture conditions, transpiration was greater in maples than in oaks. However, during a soil dry down, transpiration and stem water storage decreased by more than 80% and 28% in maples but only by 31% and 1% in oaks. We suggest that the preferential use of deep water by red oaks allows the species to continue transpiration and growth during soil water limitations. In this case, deeper roots may provide a buffer against drought‐induced mortality. Using 14 years of growth data, we show that maple growth correlates with mean annual soil moisture at 30 cm but oak growth does not. The observed responses of oak and maple to drought were not able to be explained by leaf and xylem physiology alone. We employed the Finite‐difference Ecosystem‐scale Tree Crown Hydrodynamics model version 2 plant hydrodynamics model to demonstrate the influence of root, stem, and leaf controls on tree‐level transpiration. We conclude that all three levels of hydraulic traits are required to define hydraulic strategy.