bluuebunny/crossref_metadata_2025_split huggingface dataset:
A standardized commissioning framework of Monte Carlo dose calculation algorithms for proton pencil beam scanning treatment planning systems
Authors: Chang Chih‐Wei , Huang Sheng , Harms Joseph , Zhou Jun , Zhang Rongxiao , Dhabaan Anees , Slopsema Roelf , Kang Minglei , Liu Tian , McDonald Mark , Langen Katja , Lin Liyong 
Published: January 2020

PurposeTreatment planning systems (TPSs) from different vendors can involve different implementations of Monte Carlo dose calculation (MCDC) algorithms for pencil beam scanning (PBS) proton therapy. There are currently no guidelines for validating non‐water materials in TPSs. Furthermore, PBS‐specific parameters can vary by 1–2 orders of magnitude among different treatment delivery systems (TDSs). This paper proposes a standardized framework on the use of commissioning data and steps to validate TDS‐specific parameters and TPS‐specific heterogeneity modeling to potentially reduce these uncertainties.MethodsA standardized commissioning framework was developed to commission the MCDC algorithms of RayStation 8A and Eclipse AcurosPT v13.7.20 using water and non‐water materials. Measurements included Bragg peak depth‐dose and lateral spot profiles and scanning field outputs for Varian ProBeam. The phase‐space parameters were obtained from in‐air measurements and the number of protons per MU from output measurements of 10 × 10 cm2 square fields at a 2 cm depth. Spot profiles and various PBS field measurements at additional depths were used to validate TPS. Human tissues in TPS, Gammex phantom materials, and artificial materials were used for the TPS benchmark and validation.ResultsThe maximum differences of phase parameters, spot sigma, and divergence between MCDC algorithms are below 4.5 µm and 0.26 mrad in air, respectively. Comparing TPS to measurements at depths, both MC algorithms predict the spot sigma within 0.5 mm uncertainty intervals, the resolution of the measurement device. Beam Configuration in AcurosPT is found to underestimate number of protons per MU by ~2.5% and requires user adjustment to match measured data, while RayStation is within 1% of measurements using Auto model. A solid water phantom was used to validate the range accuracy of non‐water materials within 1% in AcurosPT.ConclusionsThe proposed standardized commissioning framework can detect potential issues during PBS TPS MCDC commissioning processes, and potentially can shorten commissioning time and improve dosimetric accuracies. Secondary MCDC can be used to identify the root sources of disagreement between primary MCDC and measurement.
Adhesion molecules in gamete transport, fertilization, early embryonic development, and implantation—role in establishing a pregnancy in cattle: A review
Authors: D'Occhio Michael J. , Campanile Giuseppe , Zicarelli Luigi , Visintin José A. , Baruselli Pietro S. 
Published: January 2020

AbstractCell–cell adhesion molecules have critically important roles in the early events of reproduction including gamete transport, sperm–oocyte interaction, embryonic development, and implantation. Major adhesion molecules involved in reproduction include cadherins, integrins, and disintegrin and metalloprotease domain‐containing (ADAM) proteins. ADAMs on the surface of sperm adhere to integrins on the oocyte in the initial stages of sperm–oocyte interaction and fusion. Cadherins act in early embryos to organize the inner cell mass and trophectoderm. The trophoblast and uterine endometrial epithelium variously express cadherins, integrins, trophinin, and selectin, which achieve apposition and attachment between the elongating conceptus and uterine epithelium before implantation. An overview of the major cell–cell adhesion molecules is presented and this is followed by examples of how adhesion molecules help shape early reproductive events. The argument is made that a deeper understanding of adhesion molecules and reproduction will inform new strategies that improve embryo survival and increase the efficiency of natural mating and assisted breeding in cattle.
Silicon heterojunction solar cells toward higher fill factor
Authors: Martini Luca , Serenelli Luca , Menchini Francesca , Izzi Massimo , Tucci Mario 
Published: January 2020

AbstractOne of the most limiting factors in the record conversion efficiency of amorphous/crystalline silicon heterojunction solar cells is the not impressive fill factor value. In this work, with the aid of a numerical model, the ways to enhance the cell fill factor up to 85% are investigated in detail, considering the properties of conventional amorphous‐doped films, wider Energy gap layers, and transparent conductive oxide films. The band alignment among the various materials composing the heterojunction is the key to high efficiency but becomes an issue for the solar cell fill factor, if not well addressed. One of the most interesting outcomes of this work is the evidence of hidden barriers arising between the transparent conductive oxide and both selective contacts, due to the mismatch between their work functions. The measurement of light current‐voltage characteristics performed at low temperature is proposed as a way to identify the presence of these barriers in efficient solar cells that do not possess high fill factor values. Experimental J‐V characteristics compared with numerical simulations demonstrated that the sometimes neglected cell base contact needs instead a more careful consideration. To this aim, a model to predict the presence of a hidden barrier at the base contact that limits the cell fill factor is proposed.
Phosphazene/Lewis Acids as Highly Efficient Cooperative Catalyst for Synthesis of High‐Molecular‐Weight Polyesters by Ring‐Opening Alternating Copolymerization of Epoxide and Anhydride
Authors: Zhang Jinbo , Wang Lebin , Liu Shaofeng , Li Zhibo 
Published: January 2020

ABSTRACTThe synthesis of high‐molecular‐weight polyesters via the ring‐opening alternating copolymerization (ROAC) of cyclic anhydrides and epoxides using organocatalysts remains a major challenge. In this context, the organic cyclic trimeric phosphazene base (CTPB) was used as an efficient catalyst for the ROAC of phthalic anhydride (PA) with epoxides. It was found that the activity and PA conversion dramatically increased with the addition of triethyl borane (TEB) as a cocatalyst, even a small amount of TEB, for example, 5 mol % relative to CTPB. The molecular structures of obtained polyesters were characterized by nuclear magnetic resonance (1H NMR, 13C NMR) and matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI TOF), which demonstrated the formation of perfectly alternating polyesters with unimodal and narrow molecular weight distributions. Different molecular weight polyesters (up to 118.5 kg mol−1) were facilely prepared by reducing the loading of CTPB and TEB, while the polymerizations were fast (turnover frequency, TOF up to 500 h−1). Thermal analysis of the resulting polymers indicated that the alternating polyesters were amorphous, and their Tgs increased with the increment of molecular weights. © 2020 Wiley Periodicals, Inc. J. Polym. Sci. 2020, 58, 803–810
Contemporary consumer perspectives on prostate cancer survivorship: Fifty voices
Authors: Dunn Jeff , Ralph Nicholas , Green Anna , Frydenberg Mark , Chambers Suzanne K. 
Published: January 2020

AbstractObjectiveTo describe contemporary consumer experiences and priorities of prostate cancer survivorship to inform the development of survivorship guidelines.MethodIn a cross‐sectional qualitative design, semi‐structured interviews were undertaken with fifty prostate cancer support group leaders (50% response) across urban and rural/regional Australia. An interpretative phenomenological approach was used to identify participants' experiences and priorities of survivorship.ResultsThree themes were identified for informing the development of prostate cancer survivorship guidelines: (a) the Experience of Diagnosis and Treatment, (b) Priorities for Survivorship and (c) Mechanisms for Support. Four priorities for prostate cancer survivorship were: delivering person and men‐centred care; improving communication; improving care coordination; and facilitating access to care. Mechanisms for support were as follows: advocacy; peer support; prostate cancer specialist nurses; and communication training for health professionals.ConclusionsThe lack of progress in changing prostate cancer survivorship outcomes for men will become increasingly problematic as this patient population group grows. Co‐production provides a way forward to ensure relevance and accessibility for future survivorship initiatives.
Chemistry in nanosecond plasmas in water
Authors: Chauvet Laura , Nenbangkaeo Chaiyasit , Grosse Katharina , von Keudell Achim 
Published: January 2020

AbstractDischarges in liquids are the basis of a range of applications in electrochemistry, wastewater treatment, or plasma medicine. One advantage of discharges in water is their ability to produce radicals and molecules directly inside liquid with a high conversion efficiency. In this study, H2O2 production in a 10 ns pulsed discharge in water is investigated. The dynamic of these discharges is based on plasma ignition directly inside liquid followed by the formation of a bubble that expands in time before it eventually collapses. This sequence can be well described by cavitation theory. H2O2 is produced using different plasma conditions varying the treatment time, the pulse frequency between 1 and 100 Hz, and the applied voltage in a range from 15–30 kV. The resulting H2O2 concentration is measured using absorption spectroscopy ex situ based on a colorimetry method. The results indicate that the main parameter controlling the H2O2 production constitutes the applied voltage. The measured concentrations are compared with a global chemistry model simulating the chemistry involved during a single pulse using pressures and temperatures from the cavitation model. In addition, a global chemical equilibrium model for H2O2 creation is evaluated as well. The models show a good agreement with the data. The energy efficiency for the production of H2O2 reaches values up to 2 g/kWh.
Interfacial region effect on thermal conductivity of silicon nanocrystal and polystyrene nanocomposites
Authors: Juangsa Firman Bagja , Ryu Meguya , Morikawa Junko , Nozaki Tomohiro 
Published: January 2020

AbstractThermal transport has been widely studied in nanosize materials owing to their unique properties, including size‐dependent thermal transport properties. Bulk‐size nanostructures are often used for thermal property investigation as well as device applications. The nanocomposite structure of silicon nanocrystals (SiNCs) and polystyrene (PS) has been reported to have a significant thermal transport suppression attributed to the thermal resistance at material interfaces. Although the theoretical effective medium approximation (EMA) model for nanocomposites considers the thermal boundary resistance, a constant deviation is observed between the model and measurement results. In this study, the thermal transport of a polymer, which is known to be morphology dependent, is investigated in a region near the interfacial boundary. Nanocomposites were fabricated from SiNCs with significantly different diameters (6 and 60 nm), and their thermal conductivity was measured to analyze the effect of particle size on the effective thermal conductivity and its deviation. The results showed that the interfacial region of the PS matrix significantly affects the thermal transport, and the EMA model can be enhanced by modifying the thermal conductivity of the matrix owing to the confinement effect at the interfacial region; and the model and measurement results are in good agreement. This study shows that the interaction at material interfaces and its effect on the interfacial region play an important role in determining the thermal transport, opening up the possibility of controlling the thermal transport properties for wide applications of polymer‐based nanocomposite devices.
Chest CT scoring for evaluation of lung sequelae in congenital diaphragmatic hernia survivors
Authors: Beel Emma , Aukland Stein M. , Boon Mieke , Vermeulen François , Debeer Anne , Proesmans Marijke 
Published: January 2020

AbstractObjectivesData on long‐term structural lung abnormalities in survivors of congenital diaphragmatic hernia (CDH) is scarce. The purpose of this study was to develop a chest computed tomography (CT) score to assess the structural lung sequelae in CDH survivors and to study the correlation between the CT scoring and clinical parameters in the neonatal period and at 1 year of follow‐up.MethodsA prospective, clinical follow‐up program is organised for CDH survivors at the University Hospital of Leuven including a chest CT at the age of 1 year. The CT scoring used and evaluated, named CDH‐CT score, was adapted from the revised Aukland score for chronic lung disease of prematurity.ResultsThirty‐five patients were included. All CT scans showed some pulmonary abnormalities, ranging from very mild to severe. The mean total CT score was 16 (IQR: 9‐23), with the greatest contribution from the subscores for decreased attenuation (5; IQR: 2‐8), subpleural linear and triangular opacities (4; IQR: 3‐5), and atelectasis/consolidation (2; IQR: 1‐3). Interobserver and intraobserver agreement was very good for the total score (ICC coefficient > 0.9). Total CT score correlated with number of neonatal days ventilated/on oxygen as well as with respiratory symptoms and feeding problems at 1 year of age.ConclusionThe CDH‐CT scoring tool has a good intraobserver and interobserver repeatability and correlates with relevant clinical parameters. This holds promise for its use in clinical follow‐up and as outcome parameter in clinical interventional studies.
Spatial variation in fertility across Europe: Patterns and determinants
Authors: Campisi Nicholas , Kulu Hill , Mikolai Julia , Klüsener Sebastian , Myrskylä Mikko 
Published: January 2020

AbstractThis study investigates spatial variation in fertility in Europe. We analyse spatial variation in total fertility rates using small‐scale geographical data from 21 European countries for 2010 and investigate the role economic, sociocultural, and spatial factors play in regional fertility levels. We compare the performance of conventional ordinary least squares regression and multilevel modelling with that of different spatial regression models and show that the spatial approach is superior for modelling regional fertility variation. The analysis shows that fertility levels in a region are strongly related to gross domestic product per capita and the share of divorced individuals in the region, and fertility levels in neighbouring regions, supporting that all three realms of fertility determinants—economic, sociocultural, and spatial—are relevant for understanding modern fertility variation.
Recent Advances and Prospects in the Tishchenko Reaction
Authors: Dhanya Raju , Shilpa Thomas , Saranya Salim , Anilkumar Gopinathan 
Published: January 2020

AbstractTishchenko reaction is the dimerization of two molecules of an aldehyde to produce symmetrical esters. These esters find wide applications in many reactions in organic synthesis. A variant of this reaction, the Evans‐Tishchenko reaction, catalyzed by SmI2 affords 1,3‐anti‐diol monoesters. This chemistry has found wide applications in natural product synthesis as it offers a mild and efficient methodology for the formation of 1,3‐diols stereoselectively. In this review, we mainly focus on recent advancements in the transition metal catalyzed and lanthanide‐actinide catalyzed Tishchenko reactions and their applications in organic synthesis covering literature from 2014 to 2019.
Selective Synthesis and Molecular Structure of Novel Aminooxyglycosyl Derivatives Bearing Hydroxyphenyl Moieties
Authors: Lafuente Leticia , Santiago Cintia C. , Rojas Agustín H. , Piro Oscar E. , Echeverría Gustavo A. , Ponzinibbio Agustín 
Published: January 2020

AbstractWe present the selective synthesis of novel aminooxy glycosyl derivatives bearing hydroxy phenyl moieties. A strict control over the anomeric and E/Z configurations has been achieved. The products obtained are α‐glycosides and the aromatic moiety substitute the Schiff's base trans to the O‐glycosidic bond. Single crystal X‐ray diffraction and NMR spectral data are reported and analysed.
Synthesis, Characterization and Anticancer Studies of Rh(I), Rh(III), Pd(II) and Pt(II) Complexes Bearing A Dithiooxamide Ligand
Authors: Askari Banafshe , Rudbari Hadi Amiri , Valente Andreia , Bruno Giuseppe , Micale Nicola , Shivalingegowda Naveen , Krishnappagowda Lokanath Neratur 
Published: January 2020

AbstractBreast cancer is the most common type of cancer in women. In the current study, six transition‐metal complexes were reacted with a secondary dithiooxamide (H2‐isopropyl2DTO) to obtain the corresponding mononuclear complexes (1‐6) and their cytotoxicity was evaluated in two human breast cancer cell lines, i. e. MCF‐7 and MDA‐MB‐231. The characterization of the complexes, [LnM(H‐isopropyl2 DTO κ‐S,S M)] (LnM=(C5Me5)RhCl, (1); (COD)Rh, (2); (η3‐allyl)Pd, (3); (trinpropyl‐phosphine)PdCl, (4); (bpy)Pt, (5) and (pph3)PtCl, (6)), and the ion pair form of 1–4, IP1‐IP4, were accomplished through NMR spectroscopy and elemental analysis. The structures of 1 and IP1 were also determined by single crystal XRD technique. In vitro cytotoxicity studies in MCF‐7 and MDA‐MB‐231 (IC50 determination) showed that all complexes are cytotoxic for both cell lines, with the exception of 2. Compound 3 was the most cytotoxic in the conditions tested. In addition, the compounds induce cell death by apoptosis and inhibit the formation of colonies, indicating that these compounds could provide promising new lead derivatives for anticancer drug development.
Near Infrared Polyene Radical‐Cation Derived from 7,8‐Dihydrobenzo[c,d]Furo[2,3‐f]Indole: Synthesis, Spectra and Nature of Electron Transitions
Authors: Davydenko Iryna G. , Slominskiy Yurii L. , Obernikhina Nataliya V. , Kachkovsky Aleksey D. , Tolmachev Aleksey I. 
Published: January 2020

AbstractThe stable polyene cation‐radical containing the 7,8‐dihydrobenzo[cd]furo[2,3–f]indol terminal groups was synthesized and the features of its lowest electron transitions were studied, in detail. The electronic structure and absorption spectra of the polyene cation‐radical obtained, was compared with the electronic and spectral properties of the corresponding neutral poleynes, dications and related polymethine dye having the same terminal groups. While polyene and its dication absorb in the relative short wavelength spectral region, the polymethine‐cation absorbs in the long wavelength region; it is shown that two splitting bands appear in the spectra of the polyenic cation‐radical: the low‐ intensive long wavelength band (≈ 1200 nm) and of the high‐ intensive short wavelength band (≈800 nm); they take correctly into consideration splitting of excited states, generated by α‐ and β‐electrons.
Dual Luminescence of 1‐(9‐Anthryl)Butane‐1,3‐dione
Authors: Mirochnik Anatolii G. , Yu Anton , Beloliptsev  , Fedorenko Elena V. 
Published: January 2020

AbstractThe luminescent properties 1‐(9‐antryl)butane‐1,3‐dione (1) have been investigated by means of time resolved and steady state luminescence. The results have been analyzed via the method of time‐dependent density functional theory (TD DFT). It has been shown that for compound 1 there are two forms of enol, A and B, which differ in the position of the luminescence bands. For compound 1 in polar solvents, the dual luminescence has been detected: the structured band of 420 nm and the wide diffuse band at 530 nm. In nonpolar solvents, only a broad band at 530 nm was observed. A long‐wavelength band at 530 nm was attributed to the processes of Excited‐State Intramolecular Proton Transfer (ESIPT) and Twisted Intramolecular Charge Transfer (TICT). For compound 1 in acetone, the intensity of the short‐wavelength band of the enol B increased along with the temperature increase.
Sodium in situ Intercalated Ultrathin δ‐MnO2 Flakes Electrode with Enhanced Intercalation Capacitive Performance for Asymmetric Supercapacitors
Authors: Peng Haijun , Fan Huiqing , Sui Jianan , Wang Chao , Zhang Weiming , Wang Weijia 
Published: January 2020

AbstractThe sodium ion intercalated ultrathin δ‐MnO2 flakes (abbreviated as NaxKMO) are synthesized by one‐step hydrothermal synthesis. Benefiting from the synergistic effect of sodium ion intercalating process and the homogeneous few‐layered microstructure, the NaxKMO electrode shows increased electron conduction as well as largely enhanced intercalation capacitive performance of 324.2 F g−1 at 0.5 A g−1 and 40.91 % capacitance retention at 8 A g−1 is obtained. Meanwhile, the 91.9 % diffusion contribution for NaxKMO electrode is clarified to be higher than that of KMO electrode, which indicates the preintercalated sodium ions caused a promoted diffusion‐controlled kinetic in charge‐discharge processes for the NaxKMO electrode. An asymmetric supercapacitor device (ASC) is assembled with the NaxKMO cathode and activated carbon anode. With a voltage window of 1.6 V, the fabricated ASC device delivers a high energy and power densities of 31.2 Wh kg−1 and 1571 W kg−1, respectively. With the continuous charge‐discharge tests, the device demonstrates outstanding capacitance retention of 98.2 % after 5000 cycles at 1 A g−1, suggesting a great potential of sodium ion intercalated MnO2 film electrodes in practical applications.
Recent Advances and Perspectives in the Copper‐Catalysed Amination of Aryl and Heteroaryl Halides
Authors: Neetha Mohan , Saranya Salim , Ann Harry Nissy , Anilkumar Gopinathan 
Published: January 2020

AbstractCoupling reactions form an important class of reactions in organic synthesis and these reactions are usually catalysed by metals and are of great significance. Copper due to its versatility and low toxicity has always gained much attention. This first review on copper‐catalysed amination of aryl and heteroaryl halides summarises the developments in this area and covers literature upto 2019.
The Intramolecular Rauhut−Currier Reaction between Nitroalkenes and Acrylates: An Approach to 3‐Methylene‐3,4‐Dihydrocoumarin Scaffold
Authors: Wang Sen , Huang Zhiqiang , Zhang Jingjing 
Published: January 2020

AbstractThe intramolecular Rauhut−Currier reaction between nitroalkene and acrylate has been successfully carried out. The reaction proceeds in the presence of a sulfinamide based bifunctional phosphine in dichloromethane to provide the biologically relevant 3‐methylene‐3,4‐dihydrocoumarin in acceptable yields. Unlike with other nitroalkenes participated cross R−C reactions, in this reaction, nitroalkenes work as electrophiles rather than nucleophiles. The nature of the substituent plays an important role on the chemoselectivity of this reaction. Normal Rauhut−Currier reaction products were obtained for substrates with electron‐donating substituent on the benzene ring, whereas isomerized coumarin products were obtained for those bearing halogen substituent.