bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effect of different aging processes on the corrosion behavior of new Al–Cu–Li–Zr–Sc alloys
Authors: Peng Zhuowei , Pan Qinglin , Cai Shan , Li Jinfeng , Liang Wenjie 
Published: September 2019

AbstractThe intergranular corrosion and exfoliation corrosion behaviors of Al–Cu–Li–Zr–Sc alloys under different aging effects, such as single‐stage aging, strain aging, and double‐stage aging, were studied. Among the three aging treatments, single‐stage aging resulted in the best resistance to corrosion, followed by double‐stage aging; strain aging resulted in the worst corrosion resistance. A 3.5% precooling strain could increase the dislocation density, which promoted the precipitation of corrosion‐prone T1 phase and increased the corrosion driving force of the alloy. Double‐stage aging made the precipitated T1 phases finer and more uniform and reduced the number of equilibrium phases at grain boundaries, thus improving the corrosion properties of the alloy. The corrosion susceptibility of the alloy was attributed to the T1 phase and precipitate‐free zone (PFZ), and the underlying corrosion mechanism was revealed as preferential dissolution of the equilibrium phase at grain boundaries and its surrounding distortion zone, followed by expansion of the PFZ along the grain boundaries, resulting in the development of corrosion from the grain boundaries to the intragranular regions.
Modification of Starch via the Biginelli Multicomponent Reaction
Authors: Esen Eren , Meier Michael A. R. 
Published: September 2019

AbstractAn efficient and straightforward modification of starch using renewable and commercially available aromatic aldehydes (benzaldehyde, vanillin, and p‐anisaldehyde) and urea via the Biginelli multicomponent reaction is reported in this work. First, starch acetoacetate (SAA) with a degree of substitution ranging from 1.4 to 2.5, depending on the reaction time or the molar ratio of reactants, is prepared. SAA is then modified with different aromatic aldehydes and urea via the Biginelli reaction. The modified products are characterized by ATR‐IR, NMR, and gel permeation chromatography (GPC). The processability of the products is also investigated using a hot press instrument, revealing that glycerol is a suitable and renewable plasticizer for the Biginelli products.
Development and prospective in‐patient proof‐of‐concept validation of a surface photogrammetry + CT‐based volumetric motion model for lung radiotherapy
Authors: Ranjbar M. , Sabouri P. , Mossahebi S. , Leiser D. , Foote M. , Zhang J. , Lasio G. , Joshi S. , Sawant A. 
Published: September 2019

PurposeWe develop and validate a motion model that uses real‐time surface photogrammetry acquired concurrently with four‐dimensional computed tomography (4DCT) to estimate respiration‐induced changes within the entire irradiated volume, over arbitrarily many respiratory cycles.MethodsA research, couch‐mounted, VisionRT (VRT) system was used to acquire optical surface data (15 Hz, ROI = 15 × 20 cm2) from the thoraco‐abdominal surface of a consented lung SBRT patient, concurrently with their standard‐of‐care 4DCT. The end‐exhalation phase from the 4DCT was regarded as reference and for each remaining phase, deformation vector fields (DVFs) with respect to the reference phase were computed. To reduce dimensionality, the first two principal components (PCs) of the matrix of nine DVFs were calculated. In parallel, ten phase‐averaged VRT surfaces were created. Surface DVFs and corresponding PCs were computed. A principal least squares regression was used to relate the PCs of surface DVF to those of volume DVFs, establishing a relationship between time‐varying surface and the underlying time‐varying volume. Proof‐of‐concept validation was performed during each treatment fraction by concurrently acquiring 30 s time series of real‐time surface data and “ground truth” kV fluoroscopic data (FL). A ray‐tracing algorithm was used to create a digitally reconstructed fluorograph (DRF), and motion trajectories of high‐contrast, soft‐tissue, anatomical features in the DRF were compared with those from kV FL.ResultsFor five of the six fluoroscopic acquisition sessions, the model out‐performed 4DCT in predicting contour Dice coefficient with respect to fluoroscopy‐derived contours. Similarly, the model exhibited a marked improvement over 4DCT for patch positions on the diaphragm. Model patch position errors varied from 5 to −15 mm while 4DCT errors ranged between 5 and −22.4 mm. For one fluoroscopic acquisition, a marked change in the a priori internal–external correlation resulted in model errors comparable to those of 4DCT.ConclusionsWe described the development and a proof‐of‐concept validation for a volumetric motion model that uses surface photogrammetry to correlate the time‐varying thoraco‐abdominal surface to the time‐varying internal thoraco‐abdominal volume. These early results indicate that the proposed approach can result in a marked improvement over 4DCT. While limited by the duration of the fluoroscopic acquisitions as well as the resolution of the acquired images, the DRF‐based proof‐of‐concept technique developed here is model‐agnostic, and therefore, has the potential to be used as an in‐patient validation tool for other volumetric motion models.
Tensor‐valued diffusion MRI in under 3 minutes: an initial survey of microscopic anisotropy and tissue heterogeneity in intracranial tumors
Authors: Nilsson Markus , Szczepankiewicz Filip , Brabec Jan , Taylor Marie , Westin Carl‐Fredrik , Golby Alexandra , van Westen Danielle , Sundgren Pia C. 
Published: September 2019

PurposeTo evaluate the feasibility of a 3‐minutes protocol for assessment of the microscopic anisotropy and tissue heterogeneity based on tensor‐valued diffusion MRI in a wide range of intracranial tumors.MethodsB‐tensor encoding was performed in 42 patients with intracranial tumors (gliomas, meningiomas, adenomas, and metastases). Microscopic anisotropy and tissue heterogeneity were evaluated by estimating the anisotropic kurtosis (MKA) and isotropic kurtosis (MKI), respectively. An extensive imaging protocol was compared with a 3‐minutes protocol.ResultsThe fast imaging protocol yielded parameters with characteristics in terms of bias and precision similar to the full protocol. Glioblastomas had lower microscopic anisotropy than meningiomas (MKA = 0.29 ± 0.06 vs. 0.45 ± 0.08, P = 0.003). Metastases had higher tissue heterogeneity (MKI = 0.57 ± 0.07) than both the glioblastomas (0.44 ± 0.06, P < 0.001) and meningiomas (0.46 ± 0.06, P = 0.03).ConclusionEvaluation of the microscopic anisotropy and tissue heterogeneity in intracranial tumor patients is feasible in clinically relevant times frames.
PRESS timings for resolving 13C4‐glutamate 1H signal at 9.4 T: Demonstration in rat with uniformly labelled 13C‐glucose
Authors: Dobberthien Brennen J. , Tessier Anthony G. , Stanislaus Avalyn E. , Sawyer Michael B. , Fallone B. Gino , Yahya Atiyah 
Published: September 2019

MRS of 13C4‐labelled glutamate (13C4‐Glu) during an infusion of a carbon‐13 (13C)‐labelled substrate, such as uniformly labelled glucose ([U‐13C6]‐Glc), provides a measure of Glc metabolism. The presented work provides a single‐shot indirect 13C detection technique to quantify the approximately 2.51 ppm 13C4‐Glu satellite proton (1H) peak at 9.4 T. The methodology is an optimized point‐resolved spectroscopy (PRESS) sequence that minimizes signal contamination from the strongly coupled protons of N‐acetylaspartate (NAA), which resonate at approximately 2.49 ppm. J‐coupling evolution of protons was characterized numerically and verified experimentally. A (TE1, TE2) combination of (20 ms, 106 ms) was found to be suitable for minimizing NAA signal in the 2.51 ppm 1H 13C4‐Glu spectral region, while retaining the 13C4‐Glu 1H satellite peak. The efficacy of the technique was verified on phantom solutions and on two rat brains in vivo during an infusion of [U‐13C6]‐Glc. LCModel was employed for analysis of the in vivo spectra to quantify the 2.51 ppm 1H 13C4‐Glu signal to obtain Glu C4 fractional enrichment time courses during the infusions. Cramér‐Rao lower bounds of about 8% were obtained for the 2.51 ppm 13C4‐Glu 1H satellite peak with the optimal TE combination.
A complex systems framework for the sustainability doughnut
Authors: Capmourteres Virginia , Shaw Stephanie , Miedema Liane , Anand Madhur 
Published: September 2019

Abstract

Achieving sustainability is challenging as an environmental and socio‐economic objective, and as a complex concept whose multiple components and their interactions need to be considered.

We develop a statistical model to investigate relationships among and between the planetary boundaries and social foundations of the sustainability ‘doughnut’ model. We find over 35 direct and indirect, positive and negative, influences of varying magnitude among seven boundaries (biodiversity loss, climate change, ocean acidification, land use, nitrogen and phosphorus cycles, atmospheric aerosol loading and freshwater use) and eleven foundations (energy, income, health, education, food, water, gender equality, resilience, jobs, voice and social equity).

We observe that biodiversity loss is driven by other planetary boundaries (land‐use change and freshwater use), but also a social foundation (jobs, measured as vulnerable employment). The planetary boundaries of freshwater use and land use are also related: freshwater use is higher in urban centres than in rural areas. The planetary boundary of climate change is also related to land use (the extent of agricultural lands), and the social foundation of income per capita (greater income, higher carbon dioxide emissions).

We also find that several social foundations are themselves interrelated. For example gender equality (measured as female participation in the work force) is mainly predicted by vulnerable employment. Also, food deficit increases with poverty level, but is alleviated by access to clean water. Education (literacy rate) and social equity (social insurance) can both lift people out of poverty. These inter‐relations suggest that both synergies and trade‐offs exist between and within boundaries and foundations.

We provide a new conceptual framework that moves us away from the doughnut approach towards one that can begin to address the complex interactions that sustainability scientists and policy makers face when trying to maintain multiple social foundations while not compromising any of the planetary boundaries. We illustrate several hypothesis‐based relationships here, to suggest that everything is not related to everything else. It is possible to work out significant pathways within this complex system, which is necessary to implement policies.

A free Plain Language Summary can be found within the Supporting Information of this article.
Prescription of antiepileptic medicines including valproate in pregnant women: A study in three European countries
Authors: Hurault‐Delarue Caroline , Morris Joan K. , Charlton Rachel , Gini Rosa , Loane Maria , Pierini Anna , Puccini Aurora , Neville Amanda , Snowball Julia , Damase‐Michel Christine ,   on behalf of the EUROmediSAFE consortium
Published: September 2019

AbstractPurposeTo study patterns of antiepileptic drugs (AED) prescribing, particularly valproate, during pregnancy over a 10‐year period in the UK, Italy, and France.MethodsData on pregnancies conceived after 1 January 2007 with outcomes before 31 December 2016 were extracted from four European electronic health care databases (380 499 in the United Kingdom (UK), 66 681 in France, and 649 918 in Italy [355 767 in Emilia Romagna and 294 151 in Tuscany]). Prevalence of AEDs with an ATC code starting N03A and clobazam (N05BA09) were stratified by country and calendar year.ResultsAED prescribing during pregnancy varied from 3.0 (2.8‐3.1) per 1000 pregnancies in Emilia Romagna to 7.8 (7.5‐8.0) in the UK, 5.9 (5.6‐6.1) in Tuscany, and 6.3 (5.7‐6.9) in France. Lamotrigine was commonly prescribed in all regions with a third of women exposed to an AED during pregnancy taking lamotrigine in the UK and France. Valproate was prescribed to 28.6% of AED exposed pregnant women in Tuscany, 21.6% in France, 16.7% in Emilia Romagna, and 11.9% in the UK. Over the study period, the prevalence of AED prescribing increased in the UK mainly due to increases in pregabalin and gabapentin, declined in France mainly related to decreases in clonazepam, and remained constant in Italy. Valproate prescriptions declined to a prevalence <1 per 1000 pregnancies in 2015 to 2016 in the UK, France, and Emilia Romagna.ConclusionsVariations in AED prescribing during pregnancy indicate the potential for further reductions, particularly of valproate. Increases in pregabalin/gabapentin prescribing, for which risks are not well known, are a cause for concern.
Between empathy and grief: The mediating effect of compassion fatigue among oncologists
Authors: Hayuni Gal , Hasson‐Ohayon Ilanit , Goldzweig Gil , Bar Sela Gil , Braun Michal 
Published: September 2019

AbstractObjectiveOncologists are exposed to suffering, loss, and death, which can potentially lead to grief reactions. Although grief over patients may be a natural consequence of the close and longstanding oncologist‐patient relationship, the empathy that oncologists feel toward their patients may put them at risk for compassion fatigue (CF). This study examined the mediating role of the two components of CF—secondary traumatic stress (STS) and burnout—in the relation between empathy and grief among oncologists.MethodParticipants included 71 Israeli oncologists. Measures consisted of a demographic questionnaire, the Texas Revised Inventory of Grief‐Present, the Interpersonal Reactivity Index, and the Professional Quality of Life questionnaire.ResultsOncologists reported moderate levels of grief and relatively high levels of both STS and burnout. In addition, they reported high levels of the three components of empathy: perspective taking, empathic concern, and personal distress. The PROCESS SPSS macro revealed support for the mediation model. The mediators (STS and burnout) fully accounted for the relationship between the following two components of empathy—perspective taking and personal distress—and grief.ConclusionsOncologists commonly experience grief over patients. We found that oncologists' grief was related to their empathy, and that this association was explained by their levels of CF. The current research may mark a step toward recognizing oncologists' grief as well as understanding the processes associated with it.
Pixelated Dark Energy
Authors: Heckman Jonathan J. , Lawrie Craig , Lin Ling , Sakstein Jeremy , Zoccarato Gianluca 
Published: September 2019

AbstractWe study the phenomenology of a recent string construction with a quantum mechanically stable dark energy. A mild supersymmetry protects the vacuum energy but also allows TeV scale superpartner masses. The construction is holographic in the sense that the 4D spacetime is generated from “spacetime pixels” originating from five‐branes wrapped over metastable five‐cycles of the compactification. The cosmological constant scales as in the pixel number. An instability in the construction leads to cosmic expansion. This also causes more five‐branes to wind up in the geometry, leading to a slowly decreasing cosmological constant which we interpret as an epoch of inflation followed by (pre‐)heating when a rare event occurs in which the number of pixels increases by an order one fraction. The sudden appearance of radiation triggers an exponential increase in the number of pixels. Dark energy has a time varying equation of state with , which is compatible with current bounds, and could be constrained further by future data releases. The pixelated nature of the Universe also implies a large‐l cutoff on the angular power spectrum of cosmological observables with . We also use this pixel description to study the thermodynamics of de Sitter space, finding rough agreement with effective field theory considerations.
Preclinical disposition of MGS0274 besylate, a prodrug of a potent group II metabotropic glutamate receptor agonist MGS0008 for the treatment of schizophrenia
Authors: Kinoshita Kohnosuke , Ochi Motoki , Iwata Katsuya , Fukasawa Misako , Yamaguchi Jun‐ichi 
Published: September 2019

AbstractMGS0274 besylate is an ester‐based lipophilic prodrug of a metabotropic glutamate (mGlu) 2 and mGlu3 receptor agonist MGS0008 and being developed for the treatment of schizophrenia. We investigated the disposition of these compounds in rats and monkeys and in vitro metabolism in humans to evaluate whether MGS0274 besylate could be useful as a prodrug in humans. After the oral administration of MGS0274 besylate to monkeys (2.89 mg/kg), MGS0008 was immediately found in plasma, reached a maximum concentration at 4 hours postdose, and decreased with a terminal half‐life of 16.7 hours; MGS0274 was barely detectable. The oral bioavailability as MGS0008 was 83.7%, which was approximately 20‐fold greater than that after oral dosing of MGS0008 (3.8%). In rats, MGS0008 penetrated the cerebrospinal fluid and was eliminated slower than from plasma. The in vitro metabolism study indicated that MGS0274 was rapidly hydrolyzed to MGS0008, which was not further metabolized. After the intravenous administration of MGS0008 to rats and monkeys, almost all the dose was excreted unchanged in urine. These results suggested that MGS0274 was, as expected, presystemically hydrolyzed to MGS0008 after gastrointestinal absorption and that MGS0008 was distributed throughout the body without further metabolism and ultimately excreted in urine in the animals. Furthermore, the hydrolytic activity against MGS0274 in the human liver S9 fraction was comparable to that in monkeys, suggesting the possibility of the rapid presystemic hydrolysis of MGS0274 to MGS0008 in humans, as it is in monkeys. Consequently, MGS0274 besylate is expected to function as a preferable prodrug in humans.
An arsenal of tools based on Kendrick mass defects to process congested electrospray ionization high‐resolution mass spectra of polymers with multiple charging
Authors: Ishitsuka Kei , Kakiuchi Toshifumi , Sato Hiroaki , Fouquet Thierry N. J. 
Published: September 2019

RationaleElectrospray ionization (ESI) favors the multiple charging of high molecular weight polymer samples and allows their high‐resolution mass analysis in the low‐mass range. It also induces the detection of numerous ion series at different charge states with different adducts complicating the interpretation of the mass spectrum which should be facilitated by an appropriate data processing.MethodsAn arsenal of tools based on the Kendrick mass defect (KMD) is proposed to process congested ESI high‐resolution mass spectra of poly(propylene oxide) (PPO) samples. The combination of regular, charge‐dependent, and resolution‐enhanced KMD plots in addition to a “remainders” plot and a new three‐dimensional plot offers unrivaled capabilities of filtering for any minor series among thousands of points. The sequential data processing is conducted using Kendo, a spreadsheet developed in‐house for an advanced KMD analysis.ResultsThe charge‐state distribution is easily evaluated by counting the parallel lines in a regular KMD plot. A charge‐dependent resolution‐enhanced KMD plot instantly reveals the variation of adducted ions at a given charge state, helping the user to choose the best analytical conditions. Ion series at different charge states from PPO oligomers carrying different end‐groups are also efficiently extracted using several combinations of KMD and remainders plots and assigned using a new simulator tool.ConclusionsThe innovative combination of existing and new KMD‐related plots, selection tools, and simulator all combined in a single spreadsheet dramatically facilitates the processing and interpretation of complex ESI mass spectral data. The presented tools may be extended to any other class of homo‐, co‐ and terpolymers.
Characterization of the metabolites of GW1929 in rat by liquid chromatography coupled with electrospray ionization tandem mass spectrometry
Authors: Qin Ying , Jia Haoyan , Zhao Guizhu , Li Zhihong , Wang Hongqin , Gao Baiqing 
Published: September 2019

RationaleGW1929 is a potent PPAR‐γ activator. To fully understand its mechanism of action, it is necessary to study the in vitro and in vivo metabolism.MethodsFor in vitro metabolism, GW1929 was incubated with rat hepatocytes at 37°C for 2 h. For in vivo metabolism, rats were orally administered with GW1929 at a single dose of 10 mg/kg and plasma, urinary and fecal samples were collected at defined time points. All the samples were analyzed by the developed ultra‐high‐performance liquid chromatography combined with tandem mass spectrometry. The structures of metabolites were proposed according to their accurate masses and product ions.ResultsA total of 17 metabolites, including seven glucuronide conjugates, were detected and structurally identified. M4 (hydroxylation), M13 (demethylation) and M14 (hydroxylation) were the most abundant metabolites. The metabolic pathways of GW1929 referred to hydroxylation, demethylation, deamination and glucuronidation.ConclusionsThe present study provided new information on the in vitro and in vivo metabolic profiles of GW1929 which will be helpful for a better understanding of the mechanism of the elimination of GW1929.
In situ analysis of oxytetracycline tablets based on matrix‐assisted laser desorption/ionization mass spectrometry imaging
Authors: Xie Hanyi , He Qichuan , Zhao Yanfang , Li Huijuan , Zhao Mei , Chen Xiangfeng , Cai Zongwei , Fang Kezhong , Song Hexing 
Published: September 2019

RationaleA thorough understanding of the content and distribution of active ingredients in pharmaceuticals is essential for drug efficacy and safety. Technological advancements in mass spectrometry imaging present an opportunity for methodological innovation by providing qualification and quantification analysis, as well as spatial information, in the same assay, which has great potential for applications in the rapid analysis and quality control of drugs.MethodsMatrix‐assisted laser desorption/ionization mass spectrometry imaging (MALDI‐MSI) was employed to directly analyze oxytetracycline tablets in order to map the distribution of the active constituent within the whole tablet. Quantitative analysis was capable of differentiating tablets containing various doses of the active pharmaceutical ingredient.ResultsTo establish the methodology, detailed factors that influence matrix spraying and spatial resolution during sample preparation and the data acquisition process were optimized systematically. Quantitative analysis could differentiate the tablets containing various doses of the active compound. The proposed method was successfully applied to analyze real commercial tablets.ConclusionsThe developed method could successfully achieve the spatial location of oxytetracycline in actual tablet samples. These results could contribute to pharmaceutical tracing technology, especially the formulation process of tablets, which is helpful for monitoring the quality of pharmaceutical products and guaranteeing drug security.