bluuebunny/crossref_metadata_2025_split huggingface dataset:
Effective Separation of CO2 Using Metal‐Incorporated rGO Membranes
Authors: Jin Xiaoheng , Foller Tobias , Wen Xinyue , Ghasemian Mohammad B. , Wang Fei , Zhang Mingwei , Bustamante Heriberto , Sahajwalla Veena , Kumar Priyank , Kim Hangyel , Lee Gwan‐Hyoung , Kalantar‐Zadeh Kourosh , Joshi Rakesh 
Published: March 2020

AbstractGraphene‐based materials, primarily graphene oxide (GO), have shown excellent separation and purification characteristics. Precise molecular sieving is potentially possible using graphene oxide‐based membranes, if the porosity can be matched with the kinetic diameters of the gas molecules, which is possible via the tuning of graphene oxide interlayer spacing to take advantage of gas species interactions with graphene oxide channels. Here, highly effective separation of gases from their mixtures by using uniquely tailored porosity in mildly reduced graphene oxide (rGO) based membranes is reported. The gas permeation experiments, adsorption measurement, and density functional theory calculations show that this membrane preparation method allows tuning the selectivity for targeted molecules via the intercalation of specific transition metal ions. In particular, rGO membranes intercalated with Fe ions that offer ordered porosity, show excellent reproducible N2/CO2 selectivity of ≈97 at 110 mbar, which is an unprecedented value for graphene‐based membranes. By exploring the impact of Fe intercalated rGO membranes, it is revealed that the increasing transmembrane pressure leads to a transition of N2 diffusion mode from Maxwell–Stefan type to Knudsen type. This study will lead to new avenues for the applications of graphene for efficiently separating CO2 from N2 and other gases.
Comment on “Cooperative Behaviors in Amplified Emission from Single Microcrystals of Thiophene/Phenylene Co‐Oligomers toward Organic Polariton Laser”
Authors: Paraschuk Dmitry Yu. 
Published: March 2020

AbstractYanagi et al. recently reviewed their progress in the field of amplified emission of thiophene/phenylene co‐oligomers (TPCO) single crystals (Adv. Opt. Mater. 2019, 7, 1900136), which are a promising platform for highly efficient organic light‐emitting devices. In this comment, the most intriguing experimental data from this paper are naturally and easily explained as an effect of unintentional impurities or molecular self‐dopants that appear in the course of chemical synthesis of TPCO.
Emerging Technologies for Real‐Time Intraoperative Margin Assessment in Future Breast‐Conserving Surgery
Authors: Pradipta Ambara R. , Tanei Tomonori , Morimoto Koji , Shimazu Kenzo , Noguchi Shinzaburo , Tanaka Katsunori 
Published: March 2020

AbstractClean surgical margins in breast‐conserving surgery (BCS) are essential for preventing recurrence. Intraoperative pathologic diagnostic methods, such as frozen section analysis and imprint cytology, have been recognized as crucial tools in BCS. However, the complexity and time‐consuming nature of these pathologic procedures still inhibit their broader applicability worldwide. To address this situation, two issues should be considered: 1) the development of nonpathologic intraoperative diagnosis methods that have better sensitivity, specificity, speed, and cost; and 2) the promotion of new imaging algorithms to standardize data for analyzing positive margins, as represented by artificial intelligence (AI), without the need for judgment by well‐trained pathologists. Researchers have attempted to develop new methods or techniques; several have recently emerged for real‐time intraoperative management of breast margins in live tissues. These methods include conventional imaging, spectroscopy, tomography, magnetic resonance imaging, microscopy, fluorescent probes, and multimodal imaging techniques. This work summarizes the traditional pathologic and newly developed techniques and discusses the advantages and disadvantages of each method. Taking into consideration the recent advances in analyzing pathologic data from breast cancer tissue with AI, the combined use of new technologies with AI algorithms is proposed, and future directions for real‐time intraoperative margin assessment in BCS are discussed.
Tensiometer‐based irrigation scheduling and water use efficiency of field‐grown strawberries
Authors: Cormier Julien , Depardieu Claire , Letourneau Guillaume , Boily Carole , Gallichand Jacques , Caron Jean 
Published: March 2020

AbstractIn recent decades, moisture‐based subsurface drip irrigation management strategies lead to water savings while maintaining strawberry yields in open fields. Most soils in the Québec City area are characterized by a high proportion of schist fragments and high hydraulic conductivity, causing substantial water losses following irrigation. Until now, little was known about the efficiency of soil‐moisture‐based irrigation strategies used on moderately coarse‐textured soils and their potential to improve water use efficiency (WUE). The first objective of this study was to test two tensiometer‐based irrigation managements for strawberry plants grown in a conventional system. Since field fumigation is increasingly restricted in field‐grown strawberries, we designed a raised‐bed trough system for use in the field and tested its productivity potential. The two irrigation methods included two treatments using pulsed irrigation: one with a constant irrigation threshold of −15 kPa (Pl), and the other with a variable threshold (−15/−30 kPa) adjusted daily to the predicted crop evapotranspiration (PlETc), in addition to a soilless treatment (SL) using a peat substrate and an irrigation threshold of −5 kPa. Compared to conventional irrigation, the PlETc treatment increased the WUE by 8 to 44% while maintaining marketable yields and fruit quality. Thus, this pulsed irrigation strategy is recommended for strawberry plants grown in clay loam soils. Strawberry plants grown in the soilless system gave 73 to 98% higher early marketable yield than soil cultivation. These results may encourage North American farmers to consider the soilless raised‐bed trough system as a viable alternative to conventional strawberry production systems.
Machine learning to assist filtered two‐fluid model development for dense gas–particle flows
Authors: Zhu Li‐Tao , Tang Jia‐Xun , Luo Zheng‐Hong 
Published: March 2020

AbstractMachine learning (ML) is experiencing an immensely fascinating resurgence in a wide variety of fields. However, applying such powerful ML to construct subgrid interphase closures has been rarely reported. To this end, we develop two data‐driven ML strategies (i.e., artificial neural networks and eXtreme gradient boosting) to accurately predict filtered subgrid drag corrections using big data from highly resolved simulations of gas‐particle fluidization. Quantitative assessments of effects of various subgrid input markers on training prediction outputs are performed and three‐marker choice is demonstrated to be the optimal one for predicting the unseen test set. We then develop a parallel data loader to integrate this predictive ML model into a computational fluid dynamic (CFD) framework. Subsequent coarse‐grid simulations agree fairly well with experiments regarding the underlying hydrodynamics in bubbling and turbulent fluidized beds. The present ML approach provides easily extended ways to facilitate the development of predictive models for multiphase flows.
Family experiences and attitudes about receiving the diagnosis of sex chromosome aneuploidy in a child
Authors: Riggan Kirsten A. , Close Sharron , Allyse Megan A. 
Published: March 2020

AbstractThe most common sex chromosome aneuploidies (SCA) (47, XXY; 47, XYY; 47, XXX) frequently result in a milder phenotype than autosomal aneuploidies. Nevertheless, these conditions are highly variable and more symptomatic phenotypes may require significant clinical involvement, including specialty care. While historically most individuals with mild phenotypes remained undiagnosed during their lifetime, the increasing use of genetic testing in clinical care has increased the prenatal and postnatal diagnosis of SCAs. These genetic tests are frequently ordered by nongenetic providers who are also responsible for delivering the diagnosis. We surveyed parents of children (n = 308) to evaluate their experience of receiving a diagnosis and their support needs. The majority (73.3%) received the diagnosis from a nongenetic medical provider. Following a prenatal diagnosis parents reported experiencing depression, anxiety, and less optimism than those receiving a postnatal diagnosis. Few parents reported receiving materials explaining their child's condition that they found to be up‐to‐date, accurate, and unbiased. The frequently negative reported experiences of parents at time of diagnosis suggests more educational opportunities should be provided for nongenetic providers in order to become more informed about these conditions and communicate the diagnosis in a way parents experience as supportive.
Polyether Natural Product Inspired Cascade Cyclizations: Autocatalysis on π‐Acidic Aromatic Surfaces
Authors: Paraja Miguel , Hao Xiaoyu , Matile Stefan 
Published: March 2020

AbstractAnion‐π catalysis functions by stabilizing anionic transition states on aromatic π surfaces, thus providing a new approach to molecular transformation. The delocalized nature of anion–π interactions suggests that they serve best in stabilizing long‐distance charge displacements. Aiming therefore for an anionic cascade reaction that is as charismatic as the steroid cyclization is for conventional cation‐π biocatalysis, reported here is the anion‐π‐catalyzed epoxide‐opening ether cyclizations of oligomers. Only on π‐acidic aromatic surfaces having a positive quadrupole moment, such as hexafluorobenzene to naphthalenediimides, do these polyether cascade cyclizations proceed with exceptionally high autocatalysis (rate enhancements kauto/kcat >104 m−1). This distinctive characteristic adds complexity to reaction mechanisms (Goldilocks‐type substrate concentration dependence, entropy‐centered substrate destabilization) and opens intriguing perspectives for future developments.
Solid‐Phase Radical Polymerization of Halogen‐Bond‐Based Crystals and Applications to Pre‐Shaped Polymer Materials
Authors: Le Hong Tho , Wang Chen‐Gang , Goto Atsushi 
Published: March 2020

AbstractLiquid vinyl monomers were converted into solid crystals via halogen bonding. They underwent solid‐phase radical polymerizations through heating at 40 °C or ultraviolet photo‐irradiation (365 nm). The X‐ray crystallography analysis showed the high degree of monomer alignment in the crystals. The polymerizations of the solid monomer crystals yielded polymers with high molecular weights and relatively low dispersities because of the high degree of the monomer alignment in the crystal. As a unique application of this system, the crystalized monomers were assembled to pre‐determined structures, followed by solid‐phase polymerization, to obtain a two‐layer polymer sheet and a three‐dimensional house‐shaped polymer material. The two‐layer sheet contained a unique asymmetric pore structure and exhibited a solvent‐responsive shape memory property and may find applications to asymmetric membranes and polymer actuators.
A Prototype of a Volumetric Three‐Dimensional Display Based on Programmable Photo‐Activated Phosphorescence
Authors: Wan Shigang , Zhou Hongqi , Lin Jinxiong , Lu Wei 
Published: March 2020

AbstractA proof‐of‐principle prototype of a volumetric 3D‐displaying system is demonstrated by utilizing the photo‐activated phosphorescence of two long‐lived phosphorescent metal‐porphyrins in dimethyl sulfoxide (DMSO), a photochemically deoxygenating solvent. The first phosphorescent sensitizer, Pt(TPBP), absorbs a light beam with a wavelength of 635 nm, and the sensitized singlet oxygen is scavenged by DMSO. The second phosphorescent emitter, Pt(OEP), absorbs a light beam with a wavelength of 532 nm and visibly phosphoresces only in the deoxygenated zone generated by the first sensitizer. The phosphorescent voxels, 3D images, and animations are well‐defined by the intersections of the 635‐nm and 532‐nm light beams that are programmable by tuning of the excitation‐power densities, the beam shapes, and the kinetics. As a pivotal selection rule for the phosphorescent molecular couple used in this 3D‐displaying system, their absorptions and emissions must be orthogonal to each other, so that they can be excited and addressed independently.
Rheology, injectability, and bioactivity of bioactive glass containing chitosan/gelatin, nano pastes
Authors: Sohrabi Mehri , Eftekhari Yekta Bijan , Rezaie Hamid R. , Naimi‐Jamal Mohammad R. 
Published: March 2020

AbstractBioactive pastes containing bioactive sol–gel derived glass (BG) and various amounts of chitosan (Cn) and gelatin (Gel) were prepared in this study. To be exact, three pastes were prepared by mixing 25 parts by weight of glass powder with (a) 100 parts by weight of a 3 wt% acetic acid‐based chitosan solution, (b) 100 parts by weight of a 3 wt% water‐based gelatin solution, and (c) 100 parts by weight of a solution containing equal amounts of the above‐mentioned solutions. The bioactivity of the composite samples was evaluated by the immersion of the prepared pastes into the simulated body fluid (SBF) solution. The samples were also analyzed by X‐ray diffractometry (XRD), Brunauer–Emmett–Teller (BET), scanning electron microscope (SEM), Fourier transform infrared (FTIR), and atomic absorption spectroscopy (AAS). The results indicated better apatite formation capacity on the glass‐/chitosan‐/gelatin‐injected paste after 14 days. Furthermore, unlike the chitosan containing paste, the gelatin‐containing sample was injectable and displayed viscoelastic behavior as determined by conducting the rheology test in oscillation mode. In addition, while chitosan made the paste more viscous, it improved the washout resistance when compared to the gelatin‐containing sample. The experimental results also indicate the formation of spherical calcites in the pastes prior to immersion into the SBF solution.
Prediction and comparison of textural properties of magnetic copolymer supports for enzyme immobilization
Authors: Rosa Cintia Maria Rodrigues , da Silva Mateus Vinícius Casagrande , de Aguiar Leandro Gonçalves , de Castro Heizir Ferreira , Freitas Larissa 
Published: March 2020

AbstractMagnetic polymers supports have proven to be valuable materials for enzyme immobilization, as they allow recovering the catalyst by magnetic separation, precluding the need for costly and time‐consuming separation steps. In this study, magnetic copolymer supports were synthesized using styrene (STY) and different crosslinking agents (divinylbenzene, ethylene glycol dimethacrylate, or triethylene glycol dimethacrylate) and initiators (azobisisobutyronitrile or benzoyl peroxide) and used to immobilize Candida antarctica lipase B (CALB). The aim was to obtain biocatalysts with high enzymatic activity and satisfactory morphological properties for use in biotransformation reactions. Two morphological properties known to influence the immobilization yield were taken into consideration, specific surface area, and swelling index. Experimental data were compared to the predictions of a model based on molar balance, method of moments, numerical fractionation, and elementary gel structures. The high correlation (R2 = 0.9974) between experimental and predicted values demonstrated the suitability of the model for estimating the textural properties of enzyme supports. CALB was successfully immobilized, showing high hydrolytic activity (500–700 U g−1) and good thermal stability at 50°C. CALB/STY‐EGDMA‐M was 14 times more stable than free CALB. The results confirm the efficiency of the immobilization method and the suitability of the copolymers for enzyme immobilization.
Enhanced recovery after surgery review and urology applications in 2020
Authors: Rodrigues Pessoa Rodrigo , Urkmez Ahmet , Kukreja Naveen , Baack Kukreja Janet 
Published: March 2020

AbstractPurpose: To explore enhanced recovery after surgery (ERAS) components and their current application to major urologic surgeries, barriers to implementation and maintenance of the associated quality improvement. Data Identification: An English language literature search was done using PubMed. Study Selection: After independent review, 55 of the original 214 articles were selected to specifically address the stated purpose. Data Extraction: Clinical trials were included, randomized trials were prioritized, but robust observational studies were also included. Results of Data Synthesis: Many ERAS components have good data to support usage in radical cystectomy (RC) patients. Most ERAS programs include multidisciplinary teams carrying out multimodal pathways to hasten recovery after a major operation. ERAS components generally include preoperative counseling and medical optimization, venous thromboembolism prophylaxis, ileus prevention, avoidance of fluid overload, normothermia maintenance, early mobilization, pain control and early feeding, all leading to early discharge without increased complications or readmissions. Although there may not be specific data pertaining to other major urologic operations, the principles remain similar and ERAS is easily applicable. Conclusion: The benefits of ERAS programs are well established for RC and principles are easily applicable to other major urology operations. Barriers to implantation and maintenance of ERAS must be recognized to continue to maintain the benefits of these programs.
Using reputation for corporate sustainability to tackle banks digitalization challenges
Authors: Forcadell Francisco Javier , Aracil Elisa , Ubeda Fernando 
Published: March 2020

AbstractThe new landscape in the financial sector, characterized by fierce competition and the entrance of new technological players, has forced banks to speed up their digital transformation. However, for banks, digitalization entails challenges that can hinder the potential benefits and compromise their survival. In this context, we argue that the reputation generated by corporate sustainability (RCS) may offset these digitalization drawbacks. In particular, we find that the combination of RCS and digitalization facilitates in transforming the organizational nature of banks by simultaneously narrowing their boundaries and expanding their scope. We empirically confirm our hypotheses by analyzing a panel of 110 multinational banks from developed countries.
Characterization of Limonoids Isolated from the Fruits of Melia toosendan and Their Antifeedant Activity against Pieris rapae
Authors: Wang Hao , Dong Hao‐Yan , He Qing‐Ming , Liang Ji‐Lei , Zhao Te , Zhou Lin 
Published: March 2020

AbstractThe fruits of Melia toosendan Sieb. et Zucc. (Meliaceae) are a source of bioactive limonoids that can be used as effective pesticides. In this study, two novel limonoids, 6‐acetylsendanal and 6‐ketocinamodiol, were isolated together with fourteen known compounds, namely four protolimonoids, six trichilin‐class limonoids, and four C‐seco limonoids. The structures of the new compounds were determined by extensive spectroscopic analyses (HR‐ESI‐MS, UV, IR, 1D and 2D NMR). The bioassay results revealed that eleven of the extracted limonoids exhibited interesting antifeedant activities against the larvae of Pieris rapae with AFC50 values in the range of 0.11–1.79 mm. Particularly, mesendanin H, with an AFC50 value of 0.11 mm, exhibited a higher activity than the positive control toosendanin. Information on new bioactive limonoids may provide further insight into M. toosendan as a source of bioactive components.
Design and Characterization of a New pVII Combinatorial Phage Display Peptide Library for Protease Substrate Mining Using Factor VII Activating Protease (FSAP) as Model
Authors: Kara Emrah , Nielsen Nis Valentin , Eggertsdottir Bergrun , Thiede Bernd , Kanse Sandip M. , Løset Geir Åge 
Published: March 2020

AbstractWe describe a novel, easy and efficient combinatorial phage display peptide substrate‐mining method to map the substrate specificity of proteases. The peptide library is displayed on the pVII capsid of the M13 bacteriophage, which renders pIII necessary for infectivity and efficient retrieval, in an unmodified state. As capture module, the 3XFLAG was chosen due to its very high binding efficiency to anti‐FLAG mAbs and its independency of any post‐translational modification. This library was tested with Factor‐VII activating protease (WT‐FSAP) and its single‐nucleotide polymorphism variant Marburg‐I (MI)‐FSAP. The WT‐FSAP results confirmed the previously reported Arg/Lys centered FSAP cleavage site consensus as dominant, as well as reinforcing MI‐FSAP as a loss‐of‐function mutant. Surprisingly, rare substrate clones devoid of basic amino acids were also identified. Indeed one of these peptides was cleaved as free peptide, thus suggesting a broader range of WT‐FSAP substrates than previously anticipated.
Iron Acquisition by Bacterial Pathogens: Beyond Tris‐Catecholate Complexes
Authors: Zhang Yifan , Sen Sambuddha , Giedroc David P. 
Published: March 2020

AbstractSequestration of the essential nutrient iron from bacterial invaders that colonize the vertebrate host is a central feature of nutritional immunity and the “fight over transition metals” at the host‐pathogen interface. The iron quota for many bacterial pathogens is large, as iron enzymes often make up a significant share of the metalloproteome. Iron enzymes play critical roles in respiration, energy metabolism, and other cellular processes by catalyzing a wide range of oxidation‐reduction, electron transfer, and oxygen activation reactions. In this Concept article, we discuss recent insights into the diverse ways that bacterial pathogens acquire this essential nutrient, beyond the well‐characterized tris‐catecholate FeIII complexes, in competition and cooperation with significant host efforts to cripple these processes. We also discuss pathogen strategies to adapt their metabolism to less‐than‐optimal iron concentrations, and briefly speculate on what might be an integrated adaptive response to the concurrent limitation of both iron and zinc in the infected host.
Expanding the Diversity of Plant Monoterpenoid Indole Alkaloids Employing Human Cytochrome P450 3A4
Authors: Sheludko Yuriy V. , Volk Jascha , Brandt Wolfgang , Warzecha Heribert 
Published: March 2020

AbstractHuman drug‐metabolizing cytochrome P450 monooxygenases (CYPs) have enormous substrate promiscuity; this makes them promising tools for the expansion of natural product diversity. Here, we used CYP3A4 for the targeted diversification of a plant biosynthetic route leading to monoterpenoid indole alkaloids. In silico, in vitro and in planta studies proved that CYP3A4 was able to convert the indole alkaloid vinorine into vomilenine, the former being one of the central intermediates in the ajmaline pathway in the medicinal plant Rauvolfia serpentina (L.) Benth. ex Kurz. However, to a much larger extent, the investigated conversion yielded vinorine (19R,20R)‐epoxide, a new metabolite with an epoxide functional group that is rare for indole alkaloids. The described work represents a successful example of combinatorial biosynthesis towards an increase in biodiversity of natural metabolites. Moreover, characterisation of the products of the in vitro and in planta transformation of potential pharmaceuticals with human CYPs might be indicative of the route of their conversion in the human organism.