bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanistic Insight into the Electrochemical Performance of Zn/VO2 Batteries with an Aqueous ZnSO4 Electrolyte
Authors: Li Zhaolong , Ganapathy Swapna , Xu Yaolin , Zhou Zhou , Sarilar Mehmet , Wagemaker Marnix 
Published: April 2019

AbstractRechargeable aqueous zinc‐ion batteries (ZIBs) are promising for cheap stationary energy storage. Challenges for Zn‐ion insertion hosts are the large structural changes of the host structure upon Zn‐ion insertion and the divalent Zn‐ion transport, challenging cycle life and power density respectively. Here a new mechanism is demonstrated for the VO2 cathode toward proton insertion accompanied by Zn‐ion storage through the reversible deposition of Zn4(OH)6SO4·5H2O on the cathode surface, supported by operando X‐ray diffraction, X‐ray photoelectron spectroscopy, neutron activation analysis, and density functional theory simulations. This leads to an initial discharge capacity of 272 mAh g−1 at a current density of 3.0 A g−1, of which 75.5% is maintained after 945 cycles. It is proposed that the competition between proton and Zn‐ion insertion in the VO2 host is determined by the solvation energy of the salt anion and proton insertion energetics, where proton insertion has the advantage of minimal structural distortion leading to a long cycle life. As the discharge kinetics are capacitive for the first half of the process and diffusion limited for the second half, the VO2 cathode takes the middle road possessing both fast kinetics and high practical capacities revealing a reaction mechanism that provides new perspective for the development of aqueous ZIBs.
A High‐Throughput Search for Functionally Stable Interfaces in Sulfide Solid‐State Lithium Ion Conductors
Authors: Fitzhugh William , Wu Fan , Ye Luhan , Deng Wenye , Qi Pengfei , Li Xin 
Published: April 2019

AbstractInterfacial reactions between ceramic‐sulfide solid‐electrolytes and common electrodes have remained a major impediment to the development of solid‐state lithium‐ion batteries. In practice, this means that ceramic‐sulfide batteries require a suitable coating material to isolate the electrolyte from the electrode materials. In this work, the interfacial stability of Li10SiP2S12 with over 67 000 materials is computationally evaluated. Over 2000 materials that are predicted to form stable interfaces in the cathode voltage range and over 1000 materials for the anode range are reported on and cataloged. LiCoO2 is chosen as an example cathode material to identify coating compounds that are stable with both Li10SiP2S12 and a common cathode. The correlation between elemental composition and multiple instability metrics (e.g., chemical/electrochemical) is analyzed, revealing key trends in, amongst others, the role of anion selection. A new binary‐search algorithm is introduced for evaluating the pseudo‐phase with improved speed and accuracy. Computational challenges posed by high‐throughput interfacial phase‐diagram calculations are highlighted as well as pragmatic computational methods to make such calculations routinely feasible. In addition to the over 3000 materials cataloged, representative materials from the anionic classes of oxides, fluorides, and sulfides are chosen to experimentally demonstrate chemical stability when in contact with Li10SiP2S12.
Salivary Cortisol Concentrations, Grit, and the Effect of Time
Authors: Wong Matthew L. , Peters Gregory , Joseph Joshua W. , Chung Arlene , Sanchez Leon D. 
Published: April 2019

AbstractBackgroundStress is a common experience in the emergency department (ED) and is a balance of personal capabilities versus demands. Residency training is meant to improve individuals’ capabilities and therefore may attenuate an individual's stress response. Grit is a personality trait that may attenuate stress in individuals. In this study we explore the relationship between time of year, postshift salivary cortisol concentrations, and the influence of grit among attendings and residents in an academicED.MethodsThirty‐nine residents and 17 attendings were enrolled and followed for two academic years at an urban academic medical center. Postwork salivary cortisol samples were collected quarterly, and Duckworth 12‐point Grit Scales were administered annually. Data from the relative quarters of the first and second years were combined, and the results were analyzed using descriptive statistics and generalized estimating equations.ResultsWe analyzed 216 cortisol samples and 87 grit scores over 2 academic years. Between the first and fourth quarters of the academic year, the percentage of subjects with a detectable postshift cortisol sample decreased from 47.6% (30 of 62) to 18.4% (9 of 49). In the fourth academic quarter compared to the first, the odds that an individual had a detectable cortisol were significantly lower overall (odds ratio [OR] = 0.25, 95% confidence interval [CI] = 0.10 to 0.59, p = 0.01), including the subset of only trainees (OR = 0.26, 95%CI = 0.07 to 0.88, p = 0.01), and adjusting for grit did not meaningfully change theORs.ConclusionOver the course of the academic year, the odds that an individual's postshift salivary cortisol concentration will be above detectable concentration significantly decrease over time, and this relationship is not confounded by grit.
Synthesis of Heteroaryl Iodanes(III) via ipso‐Substitution Reactions Using Iodine Triacetate Assisted by HFIP
Authors: Matsuoka Keitaro , Komami Narumi , Kojima Masahiro , Yoshino Tatsuhiko , Matsunaga Shigeki 
Published: April 2019

AbstractThe synthesis of monoaryl‐λ3‐iodanes generally requires the oxidation of iodoarenes, but the functional group compatibility is often problematic when using oxidizable substrates such as heteroaromatic compounds. Although electrophilic aromatic substitution or ipso‐substitution reactions using iodine tricarboxylates have been studied as an alternative synthetic route to dicarboxyiodoarenes, several common heteroaromatic substrates such as indoles, quinolines, (benzo)furans, and (benzo)thiophenes have not been investigated to date. Here, we report that ipso‐substitution reactions of heteroaromatic stannanes using I(OAc)3 in the presence of 1,1,1,3,3,3‐hexafluoro‐2‐propanol (HFIP) effectively provide diacetoxyiodoarenes, which can be converted into the corresponding iodonium ylides or be directly used in a one‐pot iodoarylation reaction.
Impact of Diagnosis and Therapy on Cognitive Function in Urea Cycle Disorders
Authors: Posset Roland , Gropman Andrea L. , Nagamani Sandesh C. S. , Burrage Lindsay C. , Bedoyan Jirair K. , Wong Derek , Berry Gerard T. , Baumgartner Matthias R. , Yudkoff Marc , Zielonka Matthias , Hoffmann Georg F. , Burgard Peter , Schulze Andreas , McCandless Shawn E. , Garcia‐Cazorla Angeles , Seminara Jennifer , Garbade Sven F. , Kölker Stefan ,   for the Urea Cycle Disorders Consortium and the European Registry and Network for Intoxication Type Metabolic Diseases Consortia Study Group
Published: April 2019

ObjectiveIndividuals with urea cycle disorders (UCDs) often present with intellectual and developmental disabilities. The major aim of this study was to evaluate the impact of diagnostic and therapeutic interventions on cognitive outcomes in UCDs.MethodsThis prospective, observational, multicenter study includes data from 503 individuals with UCDs who had comprehensive neurocognitive testing with a cumulative follow‐up of 702 patient‐years.ResultsThe mean cognitive standard deviation score (cSDS) was lower in symptomatic than in asymptomatic (p < 0.001, t test) individuals with UCDs. Intellectual disability (intellectual quotient < 70, cSDS < −2.0) was associated with the respective subtype of UCD and early disease onset, whereas height of the initial peak plasma ammonium concentration was inversely associated with neurocognitive outcomes in mitochondrial (proximal) rather than cytosolic (distal) UCDs. In ornithine transcarbamylase and argininosuccinate synthetase 1 deficiencies, we did not find evidence that monoscavenger therapy with sodium or glycerol phenylbutyrate was superior to sodium benzoate in providing cognitive protection. Early liver transplantation appears to be beneficial for UCDs. It is noteworthy that individuals with argininosuccinate synthetase 1 and argininosuccinate lyase deficiencies identified by newborn screening had better neurocognitive outcomes than those diagnosed after the manifestation of first symptoms.InterpretationCognitive function is related to interventional and non‐interventional variables. Early detection by newborn screening and early liver transplantation appear to offer greater cognitive protection, but none of the currently used nitrogen scavengers was superior with regard to long‐term neurocognitive outcome. Further confirmation could determine these variables as important clinical indicators of neuroprotection for individuals with UCDs. ANN NEUROL 2019
Data fusion‐based descriptor approach for attitude estimation under accelerated maneuvers
Authors: Makni Aida , Kibangou Alain Y. , Fourati Hassen 
Published: April 2019

AbstractThis paper proposes the design of an attitude estimation algorithm for a rigid body subject to accelerated maneuvers. Unlike the current literature where the process model is usually driven by triaxial gyroscope measurements, we investigate a new formulation of the state‐space model where the process model is given by triaxial accelerometer measurements. The observation model is given by triaxial gyroscope and magnetometer measurements. The proposed model is written as a descriptor system and takes the external acceleration sensed by the accelerometer into account. Based on this model, a Quaternion Descriptor Filter (QDF) is developed and its performance is evaluated through simulations and experimental tests in pedestrian navigation.
State estimation for stochastic time‐varying multisensor systems with multiplicative noises: Centralized and decentralized data fusion
Authors: Rahmani Mehdi , Abolhasani Mahdi 
Published: April 2019

AbstractIn this paper, the state estimation problems, including filtering and one‐step prediction, are solved for uncertain stochastic time‐varying multisensor systems by using centralized and decentralized data fusion methods. Uncertainties are considered in all parts of the state space model as multiplicative noises. For the first time, both centralized and decentralized estimators are designed based on the regularized least‐squares method. To design the proposed centralized fusion estimator, observation equations are first rewritten as a stacked observation. Then, an optimal estimator is obtained from a regularized least‐squares problem. In addition, for decentralized data fusion, first, optimal local estimators are designed, and then fusion rule is achieved by solving a least‐squares problem. Two recursive equations are also obtained to compute the unknown covariance matrices of the filtering and prediction errors. Finally, a three‐sensor target‐tracking system is employed to demonstrate the effectiveness and performance of the proposed estimation approaches.
Pharmacokinetics of salvianolic acid B, rosmarinic acid and Danshensu in rat after pulmonary administration of Salvia miltiorrhiza polyphenolic acid solution
Authors: Lu Peng , Xing Yue , Xue Zhifeng , Ma Zhe , Zhang Bing , Peng Hui , Zhou Qi (Tony) , Liu Hongfei , Liu Zhidong , Li Jiawei 
Published: April 2019

AbstractA sensitive and accurate LC–MS/MS method was established for quantifying salvianolic acid B (Sal B), rosmarinic acid (Ros A) and Danshensu (DA) in rat plasma. Salvia miltiorrhiza polyphenolic acid (SMPA), active water‐soluble ingredients isolated and purified from Salvia miltiorrhiza Bge included Sal B, Ros A and DA. The pharmacokinetic analysis of Sal B, Ros A and DA after pulmonary administration of SMPA solution to rat was performed by LC–MS/MS. Results from the pharmacokinetic studies showed that the peak concentration of DA was 21.85 ± 6.43 and 65.39 ± 3.83 ng/mL after pulmonary and intravenous administration, respectively. DA was not detected at 2 h after administration. The absolute bioavailabilities of Sal B and Ros A were respectively 50.37 ± 27.04 and 89.63 ± 12.16% after pulmonary administration of 10 mg/kg SMPA solution in rats. The absolute bioavailability of Sal B increased at least 10‐fold after pulmonary administration, compared with oral administration. It was concluded that the newly established LC–MS/MS method was suitable for describing the pharmacokinetic characteristics of Sal B, Ros A and DA in rat after pulmonary administration of SMPA solution. The data from this study will provide a preclinical insight into the feasibility of pulmonary administration of SMPA.
Improvements in single‐use bioreactor film material composition leads to robust and reliable Chinese hamster ovary cell performance
Authors: Kelly Paul S. , Dorival‐García Noemi , Paré Samantha , Carillo Sara , Ta Christine , Alarcon Miguez Antonio , Coleman Orla , Harper Emma , Shannon Maeve , Henry Michael , Connolly Lisa , Clynes Martin , Meleady Paula , Bones Jonathan , Barron Niall 
Published: April 2019

AbstractSingle‐use technologies, in particular disposable bioreactor bags, have become integral within the biopharmaceutical community. However, safety concerns arose upon the identification of toxic leachable compounds derived from the plastic materials. Although the leachable bis(2,4‐di‐tert‐butylphenyl)‐phosphate (bDtBPP) has been previously shown to inhibit CHO cell growth, it is critical to determine if other compounds like this are still present in subsequent generations of films for industrial application. This study compares the performance of CHO cells, CHO‐K1, and CHO‐DP12, cultured in media conditioned in an older single‐use bioreactor (SUB) film (F‐1) and a newer generation film (F‐2) from the same vendor. CHO cells cultured in media conditioned for 7 days in the F‐1 film demonstrated significantly reduced growth and antibody productivity profiles when compared to controls and media conditioned for the same time period in the newer F‐2 film. Proteomic profiling of CHO cells cultured in the F‐1 conditioned media identified differentially expressed proteins involved in oxidative stress response as well as compromised ATP synthesis. These potentially metabolically compromised cells exhibited reduced oxidative phosphorylation activity as well as lower glycolytic metabolism, characteristic of slower growing cells. Nonvolatile and metal leachables analysis of film extracts by LC–MS revealed a reduction in the abundance of the analyzed leachates from F‐2 films when compared to F‐1 films including bDtBPP, potentially explaining improved CHO cell growth in F‐2 conditioned media. Furthermore, in vitro endocrine disruptor testing of the known leachable revealed this molecule to possess the potential to act as an androgen antagonist. This study demonstrates an improvement in the materials composition used in modern generations of SUBs for safe application in the bioprocess.
Implementation of an experimental and computational tool set to study protein‐mAb interactions
Authors: Ranjan Swarnim , Chung Wai Keen , Zhu Min , Robbins David , Cramer Steven M. 
Published: April 2019

AbstractThis work focused on the development of a combined experimental and computational tool set to study protein‐mAb interactions. A model protein library was first screened using cross interaction chromatography to identify proteins with the strongest retention. Fluorescence polarization was then employed to study the interactions and thermodynamics of the selected proteins—lactoferrin, pyruvate kinase, and ribonuclease B with the mAb. Binding affinities of lactoferrin and pyruvate kinase to the mAb were seen to be relatively salt insensitive in the range examined. Further, a strong entropic contribution was observed, suggesting the importance of hydrophobic interactions. On the other hand, ribonuclease B‐mAb binding was seen to be enthalpically driven and salt sensitive, indicating the importance of electrostatic interactions. Protein–protein docking was then carried out and the results identified the CDR region on the mAb as an important binding site for all three proteins. The binding interfaces identified for the mAb‐lactoferrin and mAb‐pyruvate kinase systems were found to contain complementary hydrophobic and oppositely charged clusters on the interacting regions which were indicative of both hydrophobic and electrostatic interactions. On the other hand, the binding site on ribonuclease B was predominantly positively charged with minimal hydrophobicity. This resulted in an alignment with negatively charged clusters on the mAb, supporting the contention that these interactions were primarily electrostatic in nature. Importantly, these computational results were found to be consistent with the fluorescence polarization data and this combined approach may have utility in examining mAb‐HCP interactions which can often complicate the downstream processing of biologics. © 2019 American Institute of Chemical Engineers
A phase II clinical study of 13‐deoxy, 5‐iminodoxorubicin (GPX‐150) with metastatic and unresectable soft tissue sarcoma
Authors: Van Tine Brian A. , Agulnik Mark , Olson Richard D. , Walsh Gerald M. , Klausner Arthur , Frank Nicole E. , Talley Todd T. , Milhem Mohammed M. 
Published: April 2019

AbstractBackground13‐Deoxy, 5‐iminodoxorubicin (GPX‐150) is a doxorubicin (DOX) analog synthesized to reduce the formation of reactive oxygen species and the cardiotoxic metabolite, doxorubiciniol, the two pathways that are linked to the irreversible, cumulative dose‐dependent cardiotoxicity of DOX. In a preclinical chronic models and a phase I clinical study of GPX‐150, no irreversible, cumulative dose‐dependent cardiotoxicity was demonstrated. Recent studies suggest that DOX cardiotoxicity may be mediated, at least in part, by the poisoning of topoisomerase IIβ.Patients and MethodsAn open‐label, single‐arm phase II clinical study in metastatic and unresectable soft tissue sarcoma (STS) patients was initiated to further evaluate the efficacy and safety of GPX‐150, including cardiac function, specifically left ventricular ejection fraction (LVEF).ResultsGPX‐150 was administered at 265 mg/m2 every 3 weeks for up to 16 doses with prophylactic G‐CSF until progression, death, or patient withdrawal from the study. GPX‐150 exhibited efficacy assessed as progression‐free survival (PFS) rates of 38% and 12% at 6 and 12 months and an overall survival rate of 74% and 45% at 6 and 12 months. GPX‐150–treated patients did not develop any evidence of irreversible, cumulative dose‐dependent chronic cardiotoxicity. Toxicities included grade 3 anemia, neutropenia, and one grade 4 leukopenia. Correlative analysis demonstrated that GPX‐150 was more selective than DOX for the inhibition of topoisomerase IIα over IIβ in vitro.ConclusionThese results suggest future studies are warranted to further evaluate the clinical efficacy of GPX‐150 in STS, perhaps at doses higher than 265 mg/m2.
Incidence and risk factors for acute kidney injury following autologous stem cell transplantation for multiple myeloma
Authors: Andronesi Andreea G. , Tanase Alina D. , Sorohan Bogdan M. , Craciun Oana G. , Stefan Laura , Varady Zsofia , Lipan Lavinia , Obrisca Bogdan , Truica Alexandra , Ismail Gener 
Published: April 2019

AbstractAcute kidney injury (AKI) is a common complication after allogeneic stem cell transplantation; however, its incidence and outcome in patients transplanted for multiple myeloma (MM) is unknown. We evaluated the incidence, severity, and risk factors for AKI within the first 30 days after autologous stem cell transplantation (ASCT) for MM. We prospectively followed 185 consecutive patients with MM, without chronic renal replacement therapy, who underwent ASCT; 12.5% of patients had MM‐associated amyloidosis. AKI occurred in 19 (10.3%) patients, 8 ± 3 days after ASCT, with 18 patients (9.7%) stage 1 and one patient (0.6%) stage 2 AKI. The development of AKI was not associated with reduced overall survival and recovery of kidney function was evident in 68.4% of patients at 3 months. In Cox regression analysis, preexisting–chronic kidney disease (HR 7.01, CI 95% 2.04‐24.09; P = 0.002), serum beta2 microglobulin (HR 3.05, CI 95% 1.10‐8.44; P = 0.03), and mucositis grade 3/4 (HR 1.29, CI 95% 1.08‐1.53; P = 0.003) were independent risk factors for AKI. Our results suggest that AKI occurs with low incidence and reduced severity after ASCT for MM. Prophylactic measures in patients with preexisting–kidney failure may further reduce this risk.
Crystallization of Cephradine Polymorphs and Hydrates from Mixed Solvents of Methanol and Water
Authors: Ostergaard Iben , Lopez de Diego Heidi , Qu Haiyan 
Published: April 2019

AbstractCephradine monohydrate (CPH) crystallizes with a needle‐like shape which leads to severe agglomeration and slow filtration. Effects of different operating conditions on the particle size and shape as well as the filterability of the crystal products are described. The solubility and stability of one anhydrate of cephradine (CPA1) and CPH as a function of temperature and water activity was investigated in different methanol and water mixtures. A solvent‐mediated transformation from CPH to CPA1 was observed at water mole fractions below 0.2–0.35 depending on the temperature. The crystallization behavior of CPH was studied by linear cooling and antisolvent crystallization. Lowering the cooling rate and addition of seeds led to an increase in particle size and improvement of filterability.
Quantitative Measurements of the Critical Impeller Speed for Solid‐Liquid Suspensions
Authors: Ye Guichuan , Nienow Alvin W. , Alberini Federico 
Published: April 2019

AbstractA quantitative methodology for particle suspension assessment is presented. A new parameter, fmov/tot, the ratio of the mean number of moving particles to the total number of particles, is introduced to evaluate the minimum speed required to just suspend solids. This approach is tested to investigate the impact of impeller clearance on the minimum impeller speed, Njs, in a vessel when using a radial flow Rushton turbine. Flow patterns and power numbers obtained experimentally and computationally support the suspension findings. Image analysis is an appropriate method for determining Njs. Lowering the impeller clearance reduces the speed required for particle suspension with a change of flow pattern from a radial discharge with two loops to a single loop scouring the vessel base. The power number also falls markedly at the two‐to‐one loop transition as does the strain rate near the base.
Hoher Durchsatz und maximale Prozesssicherheit
Authors: Kern Norbert 
Published: April 2019

AbstractDie neue Rührwerkskugelmühle Visconomic+ wurde speziell für die Verarbeitung von hochviskosen Produkten entwickelt. Die neue Spaltgeometrie sorgt zusammen mit der Stiftanordnung für eine maximale Strömungsbelastbarkeit. Durch diese Kombination werden eine frühzeitige Kompaktierung der Mahlkörper und eine Überhitzung des Produkts vermieden. Die Rotor‐ und Statorkühlung gewährleistet zudem eine optimale Temperaturführung.
Gas‐Feststoff‐Reaktionen im Test
Authors: Leffelsend Nicola 
Published: April 2019

AbstractBei Schwing Technologies stehen thermochemische Umsetzungen von pulverförmigen Partikeln, granulierten Feststoffen oder Komponentengemischen für die Lebensmittel‐, Chemie‐, Kunststoff‐, Kosmetik‐, Pharma‐ und Energie‐Industrie im Focus. Jüngstes Beispiel ist das Forschungsprojekt Twist, für das der Hersteller aus Neukirchen‐Vluyn gemeinsam mit der TU München thermochemische Energiespeicher‐Technologie für industrielle Langzeitspeicher in der Stromerzeugung entwickelt. Für diese und viele weitere Anwendungen garantieren die wartungsarmen und energieeffizienten Wirbelschichtreaktoren eine kontrolliert einheitliche, reproduzierbare, effiziente Materialbearbeitung bis zu 1100 °C.