bluuebunny/crossref_metadata_2025_split huggingface dataset:
Coordination of Actinide Single Ions to Deformed Graphdiyne: Strategy on Essential Separation Processes in Nuclear Fuel Cycle
Authors: Yuan Tianyu , Xiong Shijie , Shen Xinghai 
Published: July 2020

AbstractThe coordination of actinides and lanthanides, as well as strontium and cesium with graphdiyne (GDY) was studied experimentally and theoretically. On the basis of experimental results and/or theoretical calculations, it was suggested that Th4+, Pu4+, Am3+, Cm3+, and Cs+ exist in single‐ion states on the special triangular structure of GDY with various coordination patterns, wherein GDY itself is deformed in different ways. Both experiment and theoretical calculations strongly indicate that UO22+, La3+, Eu3+, Tm3+ and Sr2+ are not adsorbed by GDY at all. The distinguished adsorption behaviors of GDY afford an important strategy for highly selective separation of actinides and lanthanides, Th4+ and UO22+, and Cs+ and Sr2+, in the nuclear fuel cycle. Also, the present work sheds light on an approach to explore the unique functions and physicochemical properties of actinides in single‐ion states.
Asymmetric Transfer Hydrogenation of gem‐Difluorocyclopropenyl Esters: Access to Enantioenriched gem‐Difluorocyclopropanes
Authors: Yamani Khalil , Pierre Hugo , Archambeau Alexis , Meyer Christophe , Cossy Janine 
Published: July 2020

AbstractCatalytic enantioselective access to disubstituted functionalized gem‐difluorocyclopropanes, which are emerging fluorinated motifs of interest in medicinal chemistry, was achieved through asymmetric transfer hydrogenation of gem‐difluorocyclopropenyl esters, catalyzed by a Noyori–Ikariya (p‐cymene)‐ruthenium(II) complex, with (N‐tosyl‐1,2‐diphenylethylenediamine) as the chiral ligand and isopropanol as the hydrogen donor. The resulting cis‐gem‐difluorocyclopropyl esters were obtained with moderate to high enantioselectivity (ee=66–99 %), and post‐functionalization reactions enable access to valuable building blocks incorporating a cis‐ or trans‐gem‐difluorocyclopropyl motif.
Hydrogenase Mimics in M12L24 Nanospheres to Control Overpotential and Activity in Proton‐Reduction Catalysis
Authors: Zaffaroni Riccardo , Orth Nicole , Ivanović‐Burmazović Ivana , Reek Joost N. H. 
Published: July 2020

AbstractHydrogenase enzymes are excellent proton reduction catalysts and therefore provide clear blueprints for the development of nature‐inspired synthetic analogues. Mimicking their catalytic center is straightforward but mimicking the protein matrix around the active site and all its functions remains challenging. Synthetic models lack this precisely controlled second coordination sphere that provides substrate preorganization and catalyst stability and, as a result, their performances are far from those of the natural enzyme. In this contribution, we report a strategy to easily introduce a specific yet customizable second coordination sphere around synthetic hydrogenase models by encapsulation inside M12L24 cages and, at the same time, create a proton‐rich nano‐environment by co‐encapsulation of ammonium salts, effectively providing substrate preorganization and intermediates stabilization. We show that catalyst encapsulation in these nanocages reduces the catalytic overpotential for proton reduction by 250 mV as compared to the uncaged catalyst, while the proton‐rich nano‐environment created around the catalyst ensures that high catalytic rates are maintained.
Multienzymatic immobilization of laccases on polymeric microspheres: A strategy to expand the maximum catalytic efficiency
Authors: Vera Myleidi , Fodor Csaba , Garcia Yadiris , Pereira Eduardo , Loos Katja , Rivas Bernabé L. 
Published: July 2020

AbstractLaccase enzymes of were covalently coimmobilized on poly(glycidyl methacrylate) microspheres. The objective of this work was to create a biocatalyst that works efficiently in a wide range of pH. The coimmobilization was performed using two different strategies to compare the most efficient. The results showed that by correctly selecting the enzymes and concentrations involved in the commobilization, it is possible to obtain a biocatalyst that works efficiently at a wide pH range (2.0–7.0). The maximum activity values reached per gram of support for the obtained biocatalyst were 41.90 U (pH 3.0), 40.89 U (pH 4.0), and 39.54 U (pH 6.0). Moreover, the thermal, storage, and mechanical stabilities were improved compared to the free and single‐immobilized laccases. It was concluded that enzymatic coimmobilization is an excellent alternative to obtain a robust biocatalyst that works in a wide pH range, with potential environmental and industrial applications.
Effect of polyethylene glycol molecular weight on cell growth behavior of polyvinyl alcohol/carboxymethyl cellulose/polyethylene glycol hydrogel
Authors: Shin Ji‐Yeon , Lee Deuk Yong , Kim Bae‐Yeon , Yoon Jung In 
Published: July 2020

AbstractPolyvinyl alcohol (PVA)/carboxymethyl cellulose (CMC)/polyethylene glycol (PEG) hydrogel scaffolds are synthesized using cyclic freezing/thawing and subsequent γ‐ray irradiation to evaluate the effect of the molecular weights of PEG (200, 400, 1,000, and 2,000) on strength and cell growth behavior of the hydrogels. As the PEG weight increases from 200 to 2,000, the compressive strength and the pore size decreases gradually from 58.0 ± 8.2 kPa to 17.7 ± 6.1 kPa and from 22.7 ± 3.9 μm to 8.5 ± 1.6 μm, respectively. However, the highest swelling rate is obtained for PVA/CMC/PEG400 hydrogels. The irradiated PVA/CMC/PEG400 hydrogels exhibit tailored properties of the swelling rate of 1,148 ± 34.0%, the compressive strength of 42.5 ± 6.6 kPa, the pore size of 14.6 ± 1.9 μm, and cell viability of 184%. In addition, the fastest L‐929 cell proliferation and growth with time, verified by the cell proliferation (0–48 hr) and the scratch assay (0–15 hr), was observed for the PVA/CMC/PEG400 hydrogels, indicating that they are highly suitable for potential wound dressings that require fast healing regeneration.
A new design of output feedback sliding mode controller for T‐S fuzzy‐affine systems
Authors: Ji Wenqiang , Qiu Jianbin , Lam Hak‐Keung 
Published: July 2020

AbstractThis work focuses on output feedback sliding mode control (SMC) for nonlinear systems via T‐S fuzzy affine models. Associated with the sliding surface, a singular system is firstly proposed to describe the dynamical features of the sliding motion. Adopting some convexification techniques and based on piecewise quadratic Lyapunov functions (PQLFs) and a common quadratic Lyapunov function (CQLF), sufficient criteria for the asymptotic stability analysis of the sliding mode dynamical system are attained. Two output feedback SMC synthesis schemes are developed to drive the closed‐loop system states to the sliding surface in finite time. A simulation example is presented to show the validity of the proposed methods.
Evolving Utility Practices and Experiences With Corrosion Control
Authors: Arnold Roger B. , Rosenfeldt Becki , Rhoades Jacqueline , Owen Christine , Becker William 
Published: July 2020

Key TakeawaysA 2019 US corrosion control survey benchmarks recent utility perspectives before the release of the proposed LCR revisions, providing insight on regulatory impacts.Rates of orthophosphate use continue to increase, and the results add to evidence that orthophosphate is effective for controlling lead release.The primary challenge facing utilities is coordinating compliance sample collection, and the greatest priority is ensuring optimal corrosion control treatment.
“Quality Water Matters” Resonates Amid Uncertainty About Emerging Contaminants
Authors: Steglitz Brian , Goetz Melanie K. 
Published: July 2020

Key TakeawaysWhen a complex subject such as emerging contaminants is presented to the public, it's essential that community officials and utility staff maintain customers’ trust through transparent, timely, clear communication.Unless utility staff or city officials take the first steps to communicate with concerned customers about water quality, messages can be quickly misconstrued.In Michigan, the City of Ann Arbor developed a branding and communication strategy to ensure that residents were armed with knowledge about the water utility's decisions and actions.
Folic acid prescribed to prenatal and postpartum women who are also prescribed antiepileptic drugs in Japan: Data from a health administrative database
Authors: Ishikawa Tomofumi , Obara Taku , Jin Kazutaka , Nishigori Hidekazu , Miyakoda Keiko , Akazawa Manabu , Nakasato Nobukazu , Yaegashi Nobuo , Kuriyama Shinichi , Mano Nariyasu 
Published: July 2020

AbstractBackgroundThe aim of this study was to evaluate the prevalence of folic acid (FA) prescription to prenatal and postpartum women who have also been prescribed antiepileptic drugs (AED) in Japan.MethodsThe data set used in this study included women covered by health insurance between 2005 and 2016. The prevalence of FA prescriptions between 180 days before pregnancy and 180 days postpartum was determined from a large administrative database, with the FA prescription classified according to dose and timing.ResultsFor 33,941 women meeting our eligibility criteria, the mean maternal age at delivery was 32.3 years. At least one AED was prescribed to 225 of 33,941 women between 180 days before pregnancy and 180 days postpartum. FA was prescribed to 32 of 225 women (14.2%) during the same period. FA was prescribed to 8.8% of women with AED within 90 days before pregnancy and to 19.8% during the first trimester. FA was prescribed to 10.9% during the first 30 days after conception, all of whom were prescribed FA before the pregnancy. The maximum FA dose prescribed within 90 days before pregnancy was 5 mg/day for 5 of 12 women (41.7%) and >5 mg/day for 4 of 12 women (33.3%). The maximum FA dose prescribed during the first trimester was 5 mg/day for 14 of 22 women (63.6%) and >5 mg/day for 8 of 22 women (36.4%).ConclusionsThe concurrent prescription of FA with AEDs in Japan was an uncommon therapeutic approach both before and during pregnancy.
Synthesis and polymerase recognition of a pyrrolocytidine TNA triphosphate
Authors: Mei Hui , Wang Yajun , Yik Eric J. , Chaput John C. 
Published: July 2020

AbstractSynthetic genetics is an area of synthetic biology that aims to extend the properties of heredity and evolution to artificial genetic polymers, commonly known as xeno‐nucleic acids or XNAs. In addition to establishing polymerases that are able to convert genetic information back and forth between DNA and XNA, efforts are underway to construct XNAs with expanded chemical functionality. α‐L‐Threose nucleic acid (TNA), a type of XNA that is recalcitrant to nuclease digestion and amenable to Darwinian evolution, provides a model system for developing XNAs with functional groups that are not present in natural DNA and RNA. Here, we describe the synthesis and polymerase activity of a cytidine TNA triphosphate analog (6‐phenyl‐pyrrolocytosine, tCpTP) that maintains Watson‐Crick base pairing with guanine. Polymerase‐mediated primer extension assays show that tCpTP is an efficient substrate for Kod‐RI, a DNA‐dependent TNA polymerase developed to explore the functional properties of TNA by in vitro selection. Fidelity studies reveal that a cycle of TNA synthesis and reverse transcription occurs with 99.9% overall fidelity when tCpTP and 7‐deaza‐tGTP are present as TNA substrates. This result expands the toolkit of TNA building blocks available for in vitro selection.
Design and development of psychological virtual simulation experiment teaching system
Authors: Chen Danwen , Kong Xiaodong , Wei Qiang 
Published: July 2020

AbstractBy solving the problem of “invisibility” of human psychological activities through "psychological virtual simulation experimental teaching system" in this paper, the necessity of developing this system, needs analysis, the composition of the overall platform, the design of subsystems, the design of experimental projects, the integration of the system, and the realization methods of various functions of the system were elaborated. This system integrates many courses of psychology specialty, designs several experimental projects to meet the needs of different users, fully considers the combination of remote use and laboratory immersion experience, fully considers the sharing of resources and has strong practicability. It has guiding significance for the construction of virtual simulation laboratory, the reform of experimental teaching of psychology specialty, cross‐specialty elective courses and mental health education, psychological counseling, and treatment in colleges and universities.
A population‐based study on the prognostic impact of primary tumor sidedness in patients with peritoneal metastases from colon cancer
Authors: de Boer Nadine L. , Rovers Koen , Burger Jacobus W.A. , Madsen Eva V. E. , Brandt‐Kerkhof Alexandra R. M. , Kok Niels F. M. , de Wilt Johannes H. W. , de Reuver Philip H. , Bos Amanda , de Hingh Ignace H. J. T. , Verhoef Cornelis 
Published: July 2020

AbstractPrimary tumor location is an established prognostic factor in patients with (metastatic) colon cancer. Colon tumors can be divided into left‐sided and right‐sided tumors. The aim of this study was to determine the impact of primary tumor location on treatment and overall survival (OS) in patients with peritoneal metastases (PM) from colon cancer. This study is a retrospective, population‐based cohort study. Records of patients diagnosed with colon cancer and synchronous PM, from 1995 through 2016, were retrieved from the Netherlands Cancer Registry (NCR). Data on diagnosis, staging, and treatment were extracted from the medical records by specifically trained NCR personnel. Information on survival status was updated annually using a computerized link with the national civil registry. In total, 7930 patients were included in this study; 4555 (57.4%) had a right‐sided and 3375 (42.6%) had a left‐sided primary tumor. In multivariable analysis right‐sided primary tumor was associated with worse OS (HR: 1.11, 95% CI 1.03‐1.19, P = .007). Of all patients diagnosed with PM, 564 (7.1%) underwent cytoreductive surgery and hyperthermic intraperitoneal chemotherapy (CRS‐HIPEC). Patients with left‐sided primary tumors were more often candidates for CRS‐HIPEC (6.5% vs. 8.0%, P = .008). OS of patients with right‐ and left‐sided tumors who underwent CRS‐HIPEC did not significantly differ. In conclusion, primary right‐sided colon cancer was an independent prognostic factor for decreased OS in patients diagnosed with synchronous PM. In patients treated with CRS‐HIPEC location of the primary tumor did not influence survival.
Monitoring of industrial processes using robust global–local preserving projection
Authors: Bao Shiyi , Luo Lijia 
Published: July 2020

AbstractUsual multivariate statistical analysis (MSA) techniques are highly sensitive to outliers because they are based on the least squares fitting or the empirical mean and covariance of the data. Data‐driven process monitoring methods based on usual MSA techniques may be unreliable when outliers are present in the training data. To overcome this deficiency, a robust global–local preserving projection (RGLPP) method is proposed for dimension reduction of the high‐dimensional data contaminated by outliers, and then it is applied to the robust monitoring of industrial processes. Despite the presence of outliers, RGLPP yields robust projection directions that can preserve both global and local structures of the high‐dimensional data. Moreover, based on the robust projection directions of RGLPP, a method is developed for identifying outliers in a multivariate data set. An RGLPP‐based robust process monitoring method is also developed to achieve high‐performance monitoring when the training data of industrial processes contain outliers. The effectiveness and advantages of the proposed method are illustrated using an industrial case study.
Total Synthesis of Mallotusinin
Authors: Yamashita Kohei , Kume Yuji , Ashibe Seiya , Puspita Cicilia A. D. , Tanigawa Kotaro , Michihata Naoki , Wakamori Shinnosuke , Ikeuchi Kazutada , Yamada Hidetoshi 
Published: July 2020

AbstractThe total synthesis of mallotusinin, which bears a tetrahydroxydibenzofuranoyl (THDBF) bridge between the 2‐oxygen and 4‐oxygen of glucose on corilagin with a 3,6‐O‐(R)‐hexahydroxydiphenoyl (HHDP) bridge, is described. The key features of the total synthesis are: 1) improvements of our previously reported method to synthesize corilagin; 2) establishment of the THDBF skeleton via an unusual intramolecular SNAr reaction of an HHDP analogue, and 3) the application of a two‐step bislactonization strategy for a HHDP bridge construction into the 2,4‐O‐THDBF bridge. Oxidative phenol coupling of 1,2,4‐orthoacetyl‐3,6‐di‐(4‐O‐benzylgalloyl)‐α‐d‐glucopyranose and the orthoester cleavage of the coupling product without the pyranose‐furanose ring transformation are key reactions for the improved synthesis of corilagin, which enabled the adequate supply of a corilagin precursor that was required to develop the mallotusinin synthesis. These established methods are expected to help develop the synthesis of other ellagitannins with a bridge between the two oxygens of corilagin.
Linking of CuI Units by Tetrahedral Mo2E2 Complexes (E=P, As)
Authors: Schiller Jana , Schreiner Andrea , Seidl Michael , Balázs Gábor , Scheer Manfred 
Published: July 2020

AbstractThe reaction of [Cp2Mo2(CO)4(μ,η2:2‐E2)] (A: E=P, B: E=As, Cp=C5H5) with the WCA‐containing CuI salts ([Cu(CH3CN)4][Al{OC(CF3)3}4] (CuTEF, C), [Cu(CH3CN)4][BF4] (D) and [Cu(CH3CN)3.5][FAl{OC6F10(C6F5)}3] (CuFAl, E)) affords seven unprecedented coordination compounds. Depending on the E2 ligand complex, the counter anion of the copper salt and the stoichiometry, four dinuclear copper dimers and three trinuclear copper compounds are accessible. The latter complexes reveal first linear Cu3 arrays linked by E2 units (E=P, As) coordinated in an η2:1:1 coordination mode. All compounds were characterized by X‐ray crystallography, NMR and IR spectroscopy, mass spectrometry and elemental analysis. To define the nature of the Cu⋅⋅⋅Cu⋅⋅⋅Cu interactions, DFT calculations were performed.
Low‐cost and two‐cycle hardware structures of PRINCE lightweight block cipher
Authors: Rashidi Bahram 
Published: July 2020

SummaryIn this paper, low‐cost and two‐cycle hardware structures of the PRINCE lightweight block cipher are presented. In the first structure, we proposed an area‐constrained structure, and in the second structure, a high‐speed implementation of the PRINCE cipher is presented. The substitution box (S‐box) and the inverse of S‐box (S‐box−1) blocks are the most complex blocks in the PRINCE cipher. These blocks are designed by an efficient structure with low critical path delay. In the low‐cost structure, the S‐boxes and S‐boxes−1 are shared between the round computations and the intermediate step of PRINCE cipher. Therefore, the proposed architecture is implemented based on the lowest number of computation resources. The two‐cycle implementation of PRINCE cipher is designed by a processing element (PE), which is a general and reconfigurable element. This structure has a regular form with the minimum number of the control signal. Implementation results of the proposed structures in 180‐nm CMOS technology and Virtex‐4 and Virtex‐6 FPGA families are achieved. The proposed structures, based on the results, have better critical path delay and throughput compared with other's related works.
Value of the CHA2DS2‐VASc score for predicting outcome in patients with heart failure
Authors: Shuvy Mony , Zwas Donna R. , Keren Andre , Gotsman Israel 
Published: July 2020

AbstractAimsComorbidities are highly prevalent in patients with heart failure (HF) and affect clinical outcome. The CHA2DS2‐VASc score is a validated score to estimate assessment of thromboembolic risk in patients with atrial fibrillation.Methods and resultsWe evaluated the predictive value of this score on clinical outcome in patients with HF. All patients with a diagnosis of chronic HF at a health maintenance organization were evaluated for the CHA2DS2‐VASc score. Patients were followed for cardiac related hospitalizations and death. The cohort included 7106 HF patients. Mean follow‐up was 744 days; the median CHA2DS2‐VASc score was 5.0 (range 4.0–6.0). The CHA2DS2‐VASc score was a significant predictor of survival and predictive of the combined end point of death and cardiovascular hospitalization. Survival rates were reduced with increasing quintiles of the CHA2DS2‐VASc score: 93.6 ± 0.7% vs. 83.0 ± 1.1% vs. 75.7 ± 1.0% vs. 73.0 ± 1.2% vs. 63.3 ± 1.2%, respectively P < 0.001. After adjustment for other significant predictors, increasing CHA2DS2‐VASc scores were independently predictive of survival and of the combined end point of death and cardiovascular hospitalization by Cox regression analysis. Analysing the CHA2DS2‐VASc score as a continuous parameter by cox regression analysis demonstrated a significant increase with each point increase in the CHA2DS2‐VASc score (hazard ratio 1.21, 95% confidence interval 1.17–1.26, P < 0.0001). Cox regression analysis using restricted cubic splines demonstrated an independent continuous increase in mortality with increasing CHA2DS2‐VASc score (P < 0.0001 adjusted linear model). The predictive value was present in HF with reduced as well as preserved ejection fraction.ConclusionsThe CHA2DS2‐VASc score has a significant impact on outcome in HF patients.
A healthcare‐oriented mobile question‐and‐answering system for smart cities
Authors: Xu Yueshen , Jiang Yan , Li Rui , Gao Honghao , Guo Jin , Liu Yaning , Hei Lei , Wang Yihao 
Published: July 2020

AbstractQuestion‐and‐answering (QA) systems are popularly applied and deployed in many fields and industries, such as e‐commerce platforms, government departments, and educational industry. However, the requirement for QA systems in healthcare industry has still not been satisfied, especially the requirement for mobile QA systems. In this article, we develop a healthcare‐oriented mobile QA system for smart cities. The developed system is constructed with artificial intelligence and mobile computing techniques, including natural language processing, information retrieval, and service computing. To meet the strict requirement of healthcare‐oriented information systems, we design a series of models, algorithms, and computation methods. The designed QA system contains three modules, which are classifier, QA engine, and chatbots API. We study the performance of different classifiers, including neural network‐based classifier, support vector machine (SVM), and AdaBoost‐based classifier. The QA engine consists of two submodules, that is, semantic processing and answers retrieval. Semantic processing contains part‐of‐speech tagging and dependency parsing. The answers retrieval module contains index building and searching. We perform a series of experiments to evaluate the performance of our system and present the experimental results. The built mobile QA system has been applied in real‐world hospitals and communities and receives satisfied user experience.