bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bulk Assembly of Corrugated 1D Metal Halides with Broadband Yellow Emission
Authors: Lin Haoran , Zhou Chenkun , Neu Jennifer , Zhou Yan , Han Dan , Chen Shiyou , Worku Michael , Chaaban Maya , Lee Sujin , Berkwits Ella , Siegrist Theo , Du Mao‐Hua , Ma Biwu 
Published: January 2019

AbstractThe family of molecular level low‐dimensional organic metal halide hybrids has expanded significantly over the last few years. Here a new type of 1D metal halide structure is reported, in which metal halide octahedra form a corrugated double‐chain structure via nonplanar edge‐sharing. This material with a chemical formula of C5H16N2Pb2Br6 exhibits a broadband yellow emission under ultraviolet light excitation with a photoluminescence quantum efficiency of around 10%. The light‐yellow emission is considered to be attributed to self‐trapping excitons. Theoretical calculations show that the unique alignment of the octahedra leads to small band dispersion and large exciton binding energy. Together with previously reported 1D metal halide wires and tubes, this new bulk assembly of 1D metal halides suggests the potential to develop a library of bulk assemblies of metal halides with controlled structures and compositions.
Light Control with Liquid Crystalline Elastomers
Authors: Brannum Michelle T. , Steele Aubrey M. , Venetos Maxwell C. , Korley LaShanda T. J. , Wnek Gary E. , White Timothy J. 
Published: January 2019

AbstractThe facile synthesis of well‐aligned, main‐chain liquid crystalline elastomers that retain the cholesteric phase (CLCEs) is reported. The selective reflection inherent to this phase is thermally tuned more than 200 nm in these solid films, across the visible spectrum. The optical response is directly correlated to thermomechanical expansion of the CLCE film thickness. The bandwidth of the selective reflection of the CLCEs is increased to more than 200 nm by the incorporation of photosensitive chiral dopants that introduce heterogeneity in the pitch distribution. The mirror‐like reflection of this CLCE film is also thermochromic, shifting from the visible to infrared. Reminiscent of cephalopods, when combined with the mechanical deformation of voxelated nematic liquid crystal elastomer, the thermochromic response of the CLCE produces solid‐state elements with concurrent variation of specular and diffuse reflectance. These results demonstrate distinctive potential opportunities for liquid crystal elastomers to control light enabling new application in textiles, optics, and architecture.
Promotion of Overall Water Splitting Activity Over a Wide pH Range by Interfacial Electrical Effects of Metallic NiCo‐nitrides Nanoparticle/NiCo2O4 Nanoflake/graphite Fibers
Authors: Liu Zhihe , Tan Hua , Liu Daobin , Liu Xiaobiao , Xin Jianping , Xie Junfeng , Zhao Mingwen , Song Li , Dai Liming , Liu Hong 
Published: January 2019

AbstractMany efforts have been made to develop bifunctional electrocatalysts to facilitate overall water splitting. Here, a fibrous bifunctional 3D electrocatalyst is reported for both the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER) with high performance. The remarkable electrochemical performance is attributed of the catalysts to a number of factors: the metallic character of the three components (i.e., Ni3N, CoN, and NiCo2O4); the electronic structure, nanoflake‐nanosphere network with abundant electroactive sites, and the electric field effect at the interfaces between different components. The oxide–nitride/graphite fibers have the lowest overpotential requirements of 71 and 183 mV at 10 mA cm−2 for HER and OER in alkaline medium, respectively. These values are comparable to those of commercial Pt/C (20 wt%) and RuO2. The electrodes also show a response to HER and OER in both neutral and acid media. Furthermore, the 3D structure can be highlighted by all‐round electrodes for overall water splitting. The calculations on the changes in electrons transfer and the Femi level from oxides to oxides/nitrides reveal that the observed superb electrocatalytic performance can be attributed to the presence of Ni3N and CoN derived from the in situ nitridation of NiCo2O4.
Nitrogen and Phosphorus Co‐Doped Graphene‐Like Carbon Catalyzed Selective Oxidation of Alcohols
Authors: Yang Fan , Cao Yan , Xu Chong , Xia Yan , Chen Zhuo , He Xing , Li Yun , Yang Wang , Li Yongfeng 
Published: January 2019

AbstractThe nitrogen and phosphorus co‐doped graphene‐like carbon (NPG) is cost‐effective fabricated by simple ball‐milling and thermal treatment. The as‐prepared NPG can be used as a metal‐free catalyst for selective catalytic oxidation of aromatic alcohols to their corresponding acids by using TBHP and O2 as the oxidant in water. It is observed that various aromatic alcohols bearing electron‐donating/withdrawing groups can be oxidized to the corresponding acids in excellent yields. No dehalogenation and steric‐hindrance effects are detected in this oxidation process. In addition, the NPG catalyst can be easily separated and efficiently reused seven times, showing good recyclability.
Rhinogenic headache in pediatric and adolescent patients: an evidence‐based review
Authors: Smith Brendan C. , George Lea C. , Svider Peter F. , Nebor Ivanna , Folbe Adam J. , Sheyn Anthony , Johnson Andrew P. , Eloy Jean Anderson 
Published: January 2019

BackgroundAlthough some causes of rhinogenic headache, such as acute sinusitis, have clear diagnostic criteria, others, such as “sinus headache” and mucosal contact points, are more nebulous. Misdiagnosis of these entities and primary headaches may result in unnecessary medical or surgical treatment. The purpose of this systematic review is to delineate current understanding of diagnosis and treatment of rhinogenic headaches, including sinus and mucosal contact point headaches, in children.MethodsPubMed, SCOPUS, and the Cochrane databases were searched for studies on sinus headache and mucosal contact point headaches in children. Studies were assessed for level of evidence, and risk of bias was assessed by Methodological Index for Non‐Randomized Studies (MINORS) scoring. Diagnostic criteria, management strategies, and other clinical data were analyzed.ResultsEight studies met the inclusion criteria. Level of evidence was predominantly 4. Forty percent of pediatric patients with migraine had been previously misdiagnosed with sinus headache. Of 327 pediatric patients in two studies, between 55% and 73% had at least 1 cranial autonomic symptom associated with their migraine. For children with mucosal contact point headaches, surgical management in select patients improved headache intensity or severity in 17 (89%) cases.ConclusionThe majority of pediatric patients with sinus headache harbor a primary headache disorder, with migraine being most common. Physicians should suspect primary headache disorders in pediatric patients with chronic headaches and a normal exam. Although some case series are supportive of surgical management for mucosal contact point headaches in children, the level of evidence supporting these recommendations is insufficient. High‐quality clinical trials are necessary for continuing to improve outcomes in patients with these clinical entities.
Nanoscale C‐Rich SixC1−x Bus/Ring Waveguide Based Cross‐Wavelength Data Converter
Authors: Syu Shih‐Chang , Cheng Chih‐Hsien , Wang Huai‐Yung , Chi Yu‐Chieh , Lin Gong‐Ru 
Published: January 2019

AbstractThe carbon‐rich silicon carbide (C‐rich SixC1−x) micro‐ring channel waveguide with asymmetric core aspect is demonstrated for all‐optical cross‐wavelength pulsed return‐to‐zero on‐off keying (PRZ‐OOK) data conversion. Enhanced nonlinear optical Kerr switching enables 12‐Gbit per second data processing with optimized modulation depth. The inverse tapered waveguide at end‐face further enlarges the edge‐coupling efficiency, and the asymmetric channel waveguide distinguishes the polarization modes. To prevent data shape distortion, the bus/ring gap spacing is adjusted to control the quality factor (Q‐factor) of the micro‐ring. Designing the waveguide cross section at 500 × 350 nm2 provides the C‐rich SixC1−x channel waveguide to induce strong transverse electric mode (TE‐mode) confinement with a large Kerr nonlinearity of 2.44 × 10−12 cm2 W−1. Owing to the trade‐off between the Q‐factor and the on/off extinction ratio, the optimized bus/ring gap spacing of 1400 nm is selected to provide a coupling ratio at 5–6% for compromising the modulation depth and the switching throughput. Such a C‐rich SixC1−x micro‐ring with asymmetric channel waveguide greatly enhances the cross‐wavelength data conversion efficiency to favor its on‐chip all‐optical data processing applications for future optoelectronic interconnect circuits.
Physical Chemical Properties of Shea/Cocoa Butter Blends and their Potential for Chocolate Manufacture
Authors: Rodriguez‐Negrette Ana Carolina , Huck‐Iriart Cristián , Herrera María Lidia 
Published: January 2019

AbstractCocoa butter (CB) is the preferred fat for chocolates and confections. However, for technological and economic reasons, there have been strong efforts for partially replacing it. As shea butter (SB) has become an important natural source of symmetrical stearic‐rich triacylglycerols (TAG), the aim of this work was to study physical chemical behavior of blends of CB and SB and the dynamic mechanical and polymorphic behaviors of chocolates prepared with these systems as added fat. The compatibility of SB and CB blends was studied using the isosolid diagram. Data showed that softening occurred due to both dilution effects and a slight eutectic formation. Chocolates formulated with a fat phase consisting in CB, or SB, or blends with 10, 20, or 30 wt.% SB in CB showed different polymorphic behaviors during storage. The polymorphic transition from β2 to β1 occurred to a greater extent with increasing content of SB in formulation. Dynamic mechanical analysis (DMA) results agree with X‐ray findings. E′ modulus significantly increased during storage most likely due to formation of β1 form. As shown by Grazing incidence wide‐angle X‐ray scattering (GIWAXS) studies, crystals preferred growing on the chocolate surface than on bulk chocolate. However, even after a year at 18°C, chocolates had good appearance indicating that SB was a good CB extender.
Preparation of 2,4‐dichlorophenoxyacetic acid loaded on cysteamine‐modified polydopamine and its release behaviors
Authors: Shen Zhichuan , Zhou Xinhua , Sun Xuanhua , Xu Hua , Chen Huayao , Zhou Hongjun 
Published: January 2019

ABSTRACTWith dopamine as the monomer, the model pesticide 2,4‐dichlorophenoxyacetic acid (2,4D) was loaded on cysteamine (NHSH)‐modified polydopamine (PDA) nanospheres [2,4‐dichlorophenoxyacetic acid bound to cysteamine‐modified polydopamine (2,4D–PDA–NHSH)] via the construction of amide bonds. We investigated the materials’ structure, adhesive capability, and release behaviors, especially the mechanism of the release processes. The results demonstrate that the materials were spherical in appearance and adhesive. 2,4D loaded on the PDA vehicle was amorphous in structure. The amide bond between PDA and 2,4D generated by NHSH not only enhanced the loading amount of PDA from 296.28 to 692.56 mg/g but also decreased the thermal stability from 291 to 230 °C. The 2,4D–PDA–NHSH showed no pH responsiveness, whereas the PDA system without NHSH modification exhibited pH sensitivity. A mechanism for the observed behaviors was suggested. First‐order, logistic, Weibull, and Korsmeyer–Peppas models were applied to describe the release behaviors at different pH values. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47469.
Poly(ether sulfone) nanoparticles and controllably modified nanoparticles obtained through temperature‐dependent cryogelation
Authors: Liu Lukuan , Yang Kaiguang , Li Senwu , Zhang Lihua , Zhang Yukui 
Published: January 2019

ABSTRACTPoly(ether sulfone) (PES) nanoparticles (NPs) have broad application prospects in the field of nanomedicine. However, the current techniques could not be used to create PES‐based NPs because of a lack of sophisticated equipment. In this study, a temperature‐dependent cryogelation process was developed to fabricate PES NPs through PES self‐assembly under unusually low polymer concentrations in the absence of any nanomanufacturing equipment or synthesis steps. The morphologies of the prepared NPs varied with the concentration difference of the initial PES solutions, and the diameter of the polymer particles reached about 50 nm with a high monodispersity. Furthermore, cocryogelation was explored in a novel manner to introduce two representative reversible addition−fragmentation chain‐transfer (RAFT) agents onto the PES NPs separately for the following modification. Then, surface‐initiated RAFT polymerization was also conducted to enable the controllable variation of the polymer brushes outside the NPs to verify their scalability for further application. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47485.
STABILITYSOFT: A new online program to calculate parametric and non‐parametric stability statistics for crop traits
Authors: Pour‐Aboughadareh Alireza , Yousefian Mohsen , Moradkhani Hoda , Poczai Peter , Siddique Kadambot H. M. 
Published: January 2019

Premise of the StudyAccess to improved crop cultivars is the foundation for successful agriculture. New cultivars must have improved yields that are determined by quantitative and qualitative traits. Genotype‐by‐environment interactions (GEI) occur for quantitative traits such as reproductive fitness, longevity, height, weight, yield, and disease resistance. The stability of genotypes across a range of environments can be analyzed using GEI analysis. GEI analysis includes univariate and multivariate analyses with both parametric and non‐parametric models.Methods and ResultsThe program STABILITYSOFT is online software based on JavaScript and R to calculate several univariate parametric and non‐parametric statistics for various crop traits. These statistics include Plaisted and Peterson's mean variance component (θi), Plaisted's GE variance component (θ(i)), Wricke's ecovalence stability index (Wi2), regression coefficient (bi), deviation from regression (Sdi2), Shukla's stability variance (σi2), environmental coefficient of variance (CVi), Nassar and Huhn's statistics (S(1), S(2)), Huhn's equation (S(3) and S(6)), Thennarasu's non‐parametric statistics (NP(i)), and Kang's rank‐sum. These statistics are important in the identification of stable genotypes; hence, this program can compare and select genotypes across multiple environment trials for a given data set. This program supports both the repeated data across environments and matrix data types. The accuracy of the results obtained from this software was tested on several crop plants.ConclusionsThis new software provides a user‐friendly interface to estimate stability statistics accurately for plant scientists, agronomists, and breeders who deal with large volumes of quantitative data. This software can also show ranking patterns of genotypes and describe associations among different statistics with yield performance through a heat map plot. The software is available at https://mohsenyousefian.com/stabilitysoft/.
Photoredox‐Catalyzed Alkenylation of Benzylsulfonium Salts
Authors: Otsuka Shinya , Nogi Keisuke , Rovis Tomislav , Yorimitsu Hideki 
Published: January 2019

AbstractVisible light‐mediated radical alkenylation of benzylsulfonium salts was achieved by means of fac‐Ir(ppy)3 as a photocatalyst, giving allylbenzenes as products. A variety of functional groups, such as halogen, ester, and cyano, were well tolerated in this transformation. Starting benzylsulfonium salts could be readily prepared from benzyl alcohols by an acid‐mediated substitution, increasing the synthetic utility of this transformation.
Dinorcassane Diterpenoid from Boesenbergia rotunda Rhizomes Collected in Lower Myanmar
Authors: Win Nwet Nwet , Kyaw May Mon , Prema  , Ngwe Hla , Ito Takuya , Asakawa Yoshinori , Okamoto Yasuko , Tanaka Masami , Abe Ikuro , Morita Hiroyuki 
Published: January 2019

AbstractA new dinorcassane diterpenoid, seikphoochinal A (1), and four known compounds, pinostrobin (2), 4′,7‐dimethylkaempferol (3), and galanals A (4) and B (5), were isolated from the chloroform‐soluble crude extract of wild type Boesenbergia rotunda rhizomes collected in Lower Myanmar. The chemical structures of these compounds were identified, using a combination of spectroscopic methods. The presence of the diterpenoids 1, 4, and 5 demonstrated the structural diversity of wild type B. rotunda. Among the isolates, compounds 4 and 5 exhibited significant antiproliferative activities against a small panel of human cancer cell lines, including lung (LK‐2, A549), stomach (ECC4), breast (MCF7), cervix (HeLa), and prostate (DU145).
Kemp Eliminases of the AlleyCat Family Possess High Substrate Promiscuity
Authors: Caselle Elizabeth A. , Yoon Jennifer H. , Bhattacharya Sagar , Rempillo Joel J. L. , Lengyel Zsófia , D'Souza Areetha , Moroz Yurii S. , Tolbert Patricia L. , Volkov Alexander N. , Forconi Marcello , Castañeda Carlos A. , Makhlynets Olga V. , Korendovych Ivan V. 
Published: January 2019

AbstractMinimalist enzymes designed to catalyze model reactions provide useful starting points for creating catalysts for practically important chemical transformations. We have shown that Kemp eliminases of the AlleyCat family facilitate conversion of leflunomide (an immunosuppressor pro‐drug) to its active form teriflunomide with outstanding rate enhancement (nearly four orders of magnitude) and catalytic proficiency (more than seven orders of magnitude) without any additional optimization. This remarkable activity is achieved by properly positioning the substrate in close proximity to the catalytic glutamate with very high pKa.
Electroreduction of CO2 on Cu Clusters: The Effects of Size, Symmetry, and Temperature
Authors: Bu Yi‐Fan , Zhao Ming , Zhang Guo‐Xu , Zhang Xinge , Gao Wang , Jiang Qing 
Published: January 2019

AbstractCopper is a potential electrocatalyst for CO2 electroreduction, although controlling the selectivity towards hydrocarbons and CO is still a major challenge. It is known that Cu nanoparticles show a better performance for CO2 electro‐reduction than bulk Cu. However, the roles of the size and symmetry of the Cu clusters as well as the temperature in the CO2‐reduction process remain elusive, which hinders the development of advanced catalysts. In this study, the density functional theory (DFT) method is applied to investigate these factors. We find that the decrease of icosahedron Cu clusters’ size but the increase of truncated octahedron Cu clusters’ size contributes to the selectivity of CO2 reduction. In addition, the symmetry of Cu clusters modulates the selectivity of CO2 reduction at room temperature: the (111)‐like surfaces prefer to produce hydrocarbons but the synergistic effect between (100)‐ and (111)‐ like ones favors the formation of CO, which are in reasonable agreement with the experimental measurements that distinct products are detected on different Cu nanoparticles during CO2 reduction. We also note that the increase of temperature is favorable to CO production. Our findings not only contribute to a thorough understanding of CO2 reduction on Cu clusters, but also provide clues for designing catalysts in future experiments.
Significance of Protein–Substrate Hydrogen Bonding for the Selectivity of P450‐Catalysed Oxidations
Authors: Slessor Kate E. , Stok Jeanette E. , Chow Sharon , De Voss James J. 
Published: January 2019

AbstractP450cin and P450cam are bacterial cytochromes P450 that specifically hydroxylate bicyclic monoterpenes. Protein–substrate H bonding has been previously proposed as crucial in the selectivity of P450cin oxidations, but not as essential for P450cam. To examine the difference in importance of H bonds in these two model P450s, the P450‐catalysed oxidation products from thiocamphor were compared. Surprisingly, both P450s oxidised thiocamphor predominantly to the corresponding S‐oxides, in contrast to previous reports, and this is the first report of P450‐catalysed sulfine generation from a thioketone. Additionally, the result emphasised the importance of the protein–substrate H bond to selectivity in both P450cin and P450cam. The H bonding in P450cam was re‐examined using camphane, another substrate for which the protein–substrate H bond is absent. The results indicated that both H bonding and hydrophobic interactions between substrate and protein play a role in selectivity. Interestingly, the protein–substrate H bond was not a factor in substrate affinity for the enzyme.
Statistical Design of Experiments for Screening and Optimization
Authors: Lee Robert 
Published: January 2019

AbstractDesign of experiments (DoE) is a family of methods for performing experiments that are maximally informative for a chosen mathematical model. Statistical design of experiments focuses on empirical models that are sufficiently flexible as to describe a wide variety of systems, while having favorable mathematical properties for convenient estimation and optimization. This review describes approaches in statistical DoE for screening through many potential influencing factors and finding optimum process conditions.
Priorities, concerns, and regret among patients with head and neck cancer
Authors: Windon Melina J. , D’Souza Gypsyamber , Faraji Farhoud , Troy Tanya , Koch Wayne M. , Gourin Christine G. , Kiess Ana P. , Pitman Karen T. , Eisele David W. , Fakhry Carole 
Published: January 2019

AbstractBackgroundIn the era of deintensification, little data are available regarding patients’ treatment preferences. The current study evaluated treatment‐related priorities, concerns, and regret among patients with head and neck squamous cell cancer (HNSCC).MethodsA total of 150 patients with HNSCC ranked the importance of 10 nononcologic treatment goals relative to the oncologic goals of cure and survival. The level of concern regarding 11 issues and decision regret was recorded. Median rank was reported overall, and factors associated with odds of rank as a top 3 priority were modeled using logistic regression.ResultsAmong the treatment effects analyzed, the odds of being a top 3 priority was especially high for cure (odds, 9.17; 95% confidence interval [95% CI], 5.05‐16.63), followed by survival and swallow (odds, 1.26 [95% CI, 0.88‐1.80] and odds, 0.85 [95% CI, 0.59‐1.21], respectively). Prioritization of cure, survival, and swallow was similar based on human papillomavirus (HPV) tumor status. By increasing decade of age, older participants were found to be significantly less likely than younger individuals to prioritize survival (odds ratio, 0.72; 95% CI, 0.52‐1.00). Concerns regarding mortality (P = .04) and transmission of HPV to the patient’s spouse (P = .03) were more frequent among participants with HPV‐associated HNSCC. Regret increased with additional treatment modalities (P = .02).ConclusionsPatients with HNSCC overwhelming prioritize cure, followed by survival and swallow. The decreased prioritization of survival by older age supports further examination of treatment preference by age. The precedence of oncologic over nononcologic priorities among patients regardless of HPV tumor status supports the conservative adoption of deintensification regimens until the interplay between competing oncologic and nononcologic treatment goals is better understood.