bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Emission under Mechanical Stimuli Based on Phenanthroimidazole Derivative by Controlling ISC Process
Authors: Zhang Ying , Feng Yao‐Qin , Tian Xin‐Xin , Wang Jun‐Hao , Li Honggang , Han Gaoyi , Li Dan 
Published: October 2018

AbstractLimited works are reported about off–on type mechanochromic luminogens (MLs) owing to notorious quenching effect and lacking of reliable guidance. Here a novel strategy is proposed to develop off–on type ML based on phenanthroimidazole (PI) derivative by controlling the intersystem crossing (ISC) process through variation of packing mode. This work offers a molecular level understanding of the correlations between molecular structure, stacking modes, and photophysical properties. This is the first example of PI derivative for off–on ML based on controlling ISC process.
Efficient Energy Transfer within Dyes Encapsulated Metal–Organic Frameworks to Achieve High Performance White Light‐Emitting Diodes
Authors: Tang Ying , Xia Tifeng , Song Tao , Cui Yuanjing , Yang Yu , Qian Guodong 
Published: October 2018

AbstractThe development of phosphor‐converted white light‐emitting diodes (WLEDs) with high quantum yield, high color‐rendering index (CRI), and moderate correlated color temperature is highly desirable and remains a challenging task. Herein, a new yellow phosphor is designed and synthesized via the simultaneous encapsulation of three highly luminescent dyes, Cou‐6, R6G, and R101 into microporous metal–organic frameworks (MOFs) ZJU‐28. Due to the matched spectral overlap and efficient energy transfer processes among these dyes within MOFs, the single‐phase phosphor ZJU‐28⊃Cou‐6/R6G/R101 (0.016 wt% Cou‐6, 0.010 wt% R6G, and 0.014 wt% R101) emits bright and warm white light with high quantum yield of 82.9%, under the excitation of 460 nm blue light. In addition, by integrating the MOF phosphor on commercially available 460 nm blue LED chips, a high performance WLED lamp with a luminous efficiency value of 126 lm W−1, moderate correlated color temperature of 4446 K, and high CRI of 88 is obtained, opening a new perspective for the development of white‐light‐emitting diodes.
Graphene‐Based Composites Combining Both Excellent Terahertz Shielding and Stealth Performance
Authors: Huang Zhiyu , Chen Honghui , Xu Shitong , Chen Lucy Yimeng , Huang Yi , Ge Zhen , Ma Wenle , Liang Jiajie , Fan Fei , Chang Shengjiang , Chen Yongsheng 
Published: October 2018

AbstractStrong terahertz‐response material which exhibits both excellent terahertz shielding and stealth performance is promising in practical applications of terahertz technology. Here, ultralight graphene foam (GF) and multiwalled carbon nanotubes/multiwalled graphene foam (MGF) have been first demonstrated to achieve both superior terahertz shielding and stealth performance due to the dominant absorption loss with negligible reflection. The terahertz shielding effectiveness values of GF and MGF, both 3 mm thick, reach up to 74 and 61 dB. Meanwhile, their average terahertz reflection loss values are achieved up to 23 and 30 dB, respectively, which are the best results in existing broadband terahertz shielding/stealth materials. Importantly, their qualified absorption bandwidths (reflection loss value larger than 10 dB) cover the entire measured frequency band of 0.1–1.6 THz. Furthermore, the quantitative relationships between the terahertz shielding effectiveness, reflection loss, and material parameters are accurately established, which should facilitate the material design for terahertz shielding and stealth. Comprehensively considering the important indicators of density, bandwidth, and intensity, the specific average terahertz shielding coefficient and the specific average terahertz absorption performance are achieved up to 1.1 × 105 and 3.6 × 104 dB cm3 g−1, respectively, which is over thousands of times larger than other kinds of materials reported previously.
Achieving Light‐Induced Ultrahigh Pyroelectric Charge Density Toward Self‐Powered UV Light Detection
Authors: Song Kai , Ma Nan , Mishra Yogendra Kumar , Adelung Rainer , Yang Ya 
Published: October 2018

AbstractFrom the ferroelectric material family, BaTiO3 (BTO) demonstrates quite excellent pyroelectric features due to its inherent intrinsic spontaneous polarization capability. The pyroelectric effect induced by ultraviolet (UV) illumination can be utilized to realize the self‐powered detection of the UV light, where the photosensing characteristics can be determined by the change in charge density with time. Here, a method to increase the charge density by removing the underneath substrate and reducing the device thickness is reported. A floating BTO‐based device with thickness of ≈0.35 mm demonstrates an ultrahigh charge density of ≈1787.2 nC cm−2 under 365 nm light illumination, which is almost 11.4 times higher than that of a 0.85 mm thick BTO device on Al2O3 substrate. These reported findings establish a new strategy for enhancing the charge density of the BTO‐based devices with improved responses, which will be very helpful in upgrading the performances of future technological devices in optoelectronic devices and energy harvesters.
Harvesting Electronic Waste for the Development of Highly Efficient Eco‐Design Electrodes for Electrocatalytic Water Splitting
Authors: Jothi Vasanth Rajendiran , Bose Ranjith , Rajan Hashikaa , Jung Chiyoung , Yi Sung Chul 
Published: October 2018

AbstractDisposal of e‐wastes in prescribed landfills poses serious environmental concerns at both a local and global scale. Recovering valuable materials from e‐wastes and utilizing them for development of eco‐design devices guides one to a more productive way of managing wastes. Recycled copper is capable of retaining its intrinsic properties and can be reused with same expectation of performances; capitalizing on this fact, herein, it is attempted to utilize copper from e‐waste as an economically viable catalytic substrate for overall water splitting. Upon deposition of amorphous nickel cobalt phosphide films, the scrap copper wires are highly efficient for catalyzing hydrogen and oxygen evolution reaction at low overpotential (10η‐HER = 178 mV, 10η‐OER = 220 mV), and considerably promote water catalysis at 1.59 V@10 mA cm−2. Moreover, the electrodes demonstrate long‐term stability in alkaline electrolyte that can potentially be employed for large‐scale electrolyzer application. The proposed electrode architecture, by the explicit growth of bimetallic phosphide on highly conductive Cu substrate, facilitates fast electron transport and promises a minimum contact resistance between electrocatalyst and current collector. This work paves the way for development of environmentally sound electrode materials from e‐waste that can be exercised for a myriad of other clean energy reactions.
Delineating the phenotypic spectrum of hyperphosphatasia with mental retardation syndrome 4 in 14 patients of Middle‐Eastern origin
Authors: Balobaid Ameera , Ben‐Omran Tawfeg , Ramzan Khushnooda , Altassan Ruqaiah , Almureikhi Mariam , Musa Sara , Al‐Hashmi Nadia , Al‐Owain Mohammed , Al‐Zaidan Hamad , Al‐Hassnan Zuhair , Imtiaz Faiqa , Al‐Sayed Moeenaldeen 
Published: October 2018

AbstractHyperphosphatasia with mental retardation syndrome 4 (HPMRS4) is a rare autosomal recessive condition caused by an impairment of glycosylphophatidylinositol biosynthesis. The cardinal features of HPMRS4 include; characteristic facial features, severe intellectual disability and various neurologic abnormalities. We report here detailed clinical, biochemical, and molecular findings of 14 patients clinically suspected to have HPMRS4, from three Middle‐Eastern Countries; Saudi Arabia, Qatar, and Oman. All patients in our series presented with the cardinal features pointing to HPMRS4 and with an elevated alkaline phosphatase level. Five patients had megalocornea, which have been reported recently in an Arab patient. Additionally, fracture, bilateral coxa valga, camptodactyly, truncal obesity, and hyperpigmented macules of the upper thigh, each was seen once and was not described before with HPMRS4. Additional clinical and radiological findings are described, supporting the novel clinical and radiological findings recently described in Egyptian patients.The utilization of homozygosity mapping coupled with PGAP3 sequencing and whole exome sequencing facilitated the mutation detection in these patients. These missense mutations include c.320C > T (p.S107 L), c.850C > T (p.H284Y), and c.851A > G (p.H284R) in the PGAP3 gene. We believe that the recurrent mutations identified in our cohort may represent founder mutations in big tribes from a certain geographical region of Saudi Arabia, Qatar, and Oman. Therefore, in case of a clinical suspicion of HPMRS4 in these populations, targeted genetic testing for the identified mutations should be performed first to expedite the genetic diagnosis.
Emergence of Surface Fractals in Cellular Automata
Authors: Anitas Eugen Mircea , Slyamov Azat M. 
Published: October 2018

AbstractSelf‐similar (fractal) structures are present at every scale ranging from galaxies down to aggregates of atoms to elementary particles. For surface fractals, the self‐similarity is inherited from the superposition of non‐overlapping mass fractals. Despite long‐standing theoretical investigations, no generic framework exists yet to describe the nature and generation of surface fractal systems. Here, cellular automata (CA) are identified as a generic mathematical system and, by exploring the associated small‐angle scattering (neutrons, X‐rays, light) intensity curves, the emergence of surface fractals is reported. The observed decay of scattering intensity manifesting as a non‐coherent sum of scattering amplitudes of objects composing the surface fractal is in agreement with theoretical predictions and is a manifestation of the power‐law distribution of object's sizes. The non‐coherent sum of intensities of a randomly distributed system of objects provides an approximation to the surface fractal scattering intensity, which is expected from the interplay of distances between objects and their size. The finding on the emergence of surface fractals in CA will enrich the understanding of their structural properties while the approximation of independent objects can provide a route toward testing randomness generated by CA.
Efficient Optical Saturable Absorbers with Graphene on Polymer Waveguides for Femtosecond Laser Pulse Formation
Authors: Ryu Bowon , Lee Sungjae , Kim Jin Tae , Song Yong‐Won 
Published: October 2018

AbstractPhotonic integrated circuits (PICs) are notable for their enhanced functionalities with material flexibilities to find applications in wearable high‐speed data management systems. Due to the miniaturized dimensions of PICs, the employment of a nanomaterial having significant optical nonlinearity is critical. Here, it is demonstrated that a polymer waveguide can be harmonized with nonlinear graphene to form ultrashort laser pulses. The graphene works as nonlinear saturable absorber on the polymer waveguide prepared with a perfluorinated acrylic resin. The evanescent field of a laser propagating through the waveguide interacts with graphene to induce intracavity intensity modulation for femtosecond‐scale pulse formation. The laser output is characterized quantitatively as the central wavelength, spectral width, repetition rate, extinction ratio, and pulse duration, which are 1553.32 nm, 10.21 nm, 4.18 MHz, 76.03 dB, and 874 fs, respectively. Stable operation is verified over 3 h.
Chemoselektive Pd‐katalysierte C‐TeCF3‐Kupplung von Aryliodiden
Authors: Sperger Theresa , Guven Sinem , Schoenebeck Franziska 
Published: October 2018

AbstractDie TeCF3‐Gruppe zeigt vielversprechende Eigenschaften sowie Potential in einem weiten Bereich von Anwendungen, jedoch gibt es keine direkte Synthesemethode zu ihrer Einführung in aromatische Strukturen. Hier wird die erste direkte katalytische Methode zur Bildung von C(sp2)‐TeCF3‐Bindungen vorgestellt. Die Methode beruht auf einem Pd/Xantphos‐Katalysesystem und ermöglicht die Trifluormethyltellurolierung von Aryliodiden. Unsere rechnergestützten und mechanistischen Studien zeigen den Grund für die privilegierte Aktivität von Xantphos in dieser Transformation auf.
Chemoselective Pd‐Catalyzed C‐TeCF3 Coupling of Aryl Iodides
Authors: Sperger Theresa , Guven Sinem , Schoenebeck Franziska 
Published: October 2018

AbstractWhile the TeCF3 moiety features promising properties and potential in a range of applications, no direct synthetic method exists for its incorporation into aromatic scaffolds. This report features the first direct catalytic method for the formation of C(sp2)−TeCF3 bonds. The method relies on a Pd/Xantphos catalytic system and allows for the trifluoromethyltellurolation of aryl iodides. Our computational and experimental mechanistic analyses shed light on the privileged activity of Xantphos in this transformation.
Glycerol Partial Oxidation over Pt/Al2O3 Catalysts under Basic and Base‐Free Conditions—Effect of the Particle Size
Authors: Skrzyńska Elżbieta , El Roz Ayman , Paul Sébastien , Capron Mickaël , Dumeignil Franck 
Published: October 2018

AbstractThe glycerol partial oxidation reaction over Pt/Al2O3 catalysts was studied under basic (NaOH/GLY molar ratio 4) and base‐free conditions (NaOH/GLY molar ratio 0). Catalysts with small (2.95 nm) and large particle sizes (260.83 nm) were synthesized according to the use of different reducing agents, formaldehyde or sodium borohydride, and hydrazine, respectively. These different Pt particle sizes lead to a dramatic change in terms of activity, irrespective of the applied conditions. The biggest particles (i.e., 260 nm) seem to generate overoxidation products leading to a decrease in the carbon balance (to ~80%) while the smallest particles exhibit the highest initial glycerol transformation rate (i.e., ~10,000 mol h−1 molPt−1 under basic conditions at 60°C and ~2000 mol h−1 molPt−1 in the absence of a base at 100°C). In terms of selectivities, the main products are different as a function of the initial reaction conditions. For base‐free conditions, the two main products are glyceraldehyde and glyceric acid with a sum of selectivities always larger than 80%. Under basic conditions, the major product is glyceric acid while no trace of glyceraldehyde is detected.
A Mathematical Model for Estimating Molecular Compressibility of Fatty‐Acid Methyl Ester and Biodiesel
Authors: Krisanangkura Piyawan , Lilitchan Supathra , Aryusuk Kornkanok , Krisnangkura Kanit 
Published: October 2018

AbstractIn this study, the molecular compressibility (km) of a fatty‐acid methyl ester (FAME) or a biodiesel is correlated with ΔG, , via the Gibbs energy additivity method, where MW is the molecular weight of the FAME or the average MW of the biodiesel. The Gibbs energy associated with molecular compressibility () is further correlated with the structure of FAME. Thus, the relationship between the structure (of a FAME or a biodiesel) and the physical property (km) is established. Thus, km of a FAME at different temperatures can be easily estimated from the carbon numbers of fatty acid (z) and the number of double bonds (nd) with good accuracy. For biodiesel, km is calculated from the same equation with the average z (z(ave)) and average nd (nd(ave)). km is not temperature independent and a slight change in km depends on the structure of the FAME and biodiesel. For FAME having 14 carbon atoms or less in the fatty acid, km decreases as temperature is increased. On the other hand, for FAME with a longer chain length (16 or higher), km increases as temperature is increased. Similarly, a double bond in the long‐chain FAME is more sensitive to temperature than the saturated FAME.
Effect of molecular structures on static and dynamic compression properties of clay and amphiphilic clay/carbon nanofibers used as fillers in UHMWPE/composites for high‐energy‐impact loading
Authors: Dias R. R. , Lavoratti A. , Piazza D. , da Silva C. R. , Zattera A. J. , Lago R. M. , de Oliveira Patricio P. S. , Pereira I. M. 
Published: October 2018

ABSTRACTThree different ultrahigh‐molecular‐weight polyethylene (UHMWPE)–clay nanocomposites (Muscovite, Cloisite 30B and amphiphilic clay/carbon nanofibers) were investigated with the nanocomposite nanomorphology studied before and after dynamic mechanical compressive tests at high strain rates. Their material structure and thermal properties were investigated using techniques such as step‐scan differential scanning calorimetry, split Hopkinson pressure bar, synchrotron small angle X‐ray scattering (SAXS), and dynamic mechanical analysis. Results were associated with morphological changes observed after deformation. chemical vapor deposition (CVD)‐modified nanocomposite, due to the molecular bonding and the extra functional groups, is designed with crystalline structures with fewer defects and higher stability. The increase in particulate/polymer interactions observed for the CVD‐modified material decreased the elongation in the quasi‐static test. However, the dynamic mechanical behavior contradicted the quasi‐static behavior because at very high strain rates there was not sufficient time for the interlamellar and intralamellar defect facilitated plastic flow and the material transitioned through the glassy state. The SAXS results show that deformation strongly induced changes in the UHMWPE and UHMWPE–clay nanocomposite morphology. SAXS indicates that CVD‐modified samples became more compact and dense, thus corroborating the formation of additional secondary bonds between structures and/or the carbon nanofibers alignment. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47094.
Grafting starch nanocrystals onto the surface of sisal fibers and consequent improvement of interfacial adhesion in sisal reinforced starch composite
Authors: Chang Y. , Li J.J. , Sun T.S. , Zhou X.D. 
Published: October 2018

ABSTRACTStarch nanocrystals (SNCs) were obtained by the hydrolysis of waxy starch and used to improve the interfacial adhesion of a composite of sisal fibers and starch. Sisal fibers were first treated with acrylic acid (AA), and the modified fibers were then reacted with SNCs to form ester groups. The grafted fibers were characterized by Fourier transform infrared spectroscopy (FTIR), X‐ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM). The FTIR and XPS results showed that the SNCs were successfully grafted onto the surface of SF‐AA, and an ester linkage was formed during the reaction of AA with the SNCs. The SEM analysis showed that the SNCs were distributed over the fiber surface. Tensile tests and pull‐out tests were also performed utilizing a two‐parameter Weibull distribution analysis to study the effect of the grafted SNCs on the mechanical and interfacial properties. Compared to the untreated fibers, the interfacial shear strength of the grafted SNCs fibers increased by 79.3%. Therefore, the structural similarity between starch and the SNCs contributed towards their compatibility and improved interfacial properties, with the introduction of SNCs being used as an alternative material for fiber surface modification. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47202.
Improved rheological properties and stability of multiwalled carbon nanotubes/polymer in harsh environment
Authors: Nourafkan Ehsan , Haruna Maje Alhaji , Gardy Jabbar , Wen Dongsheng 
Published: October 2018

ABSTRACTThis work aims to improve the rheological properties and stability of multiwalled carbon nanotubes (MWCNTs)/acrylamide (AA) base skeleton polymer blends at harsh environment of high salinity‐high temperature (HS‐HT) or various pH. Different co/terpolymers have been accomplished to modify the structure of AA polymer by free‐radical copolymerization of AA‐based monomers. Anionic, cationic, and hydrophobic functional groups were used for the synthesis of polyelectrolyte, polyampholytic, and partially hydrophobic AA polymer types. The conversion, molecular weight, and poly dispersity of co/terpolymers have been evaluated by nuclear magnetic resonance (1H‐NMR), gel permeation chromatography, and differential scanning calorimetry analysis. The effects of sonication power, concentration of polymer, and concentration of MWCNTs were also investigated on rheological behavior of co/terpolymers. The results show that negative polyelectrolyte and polyampholytic polymers are the best candidates for the improvement of MWCNTs/polymer stability and viscosity at HS‐HT and alkali environment, respectively. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47205.
Acquiring Clinical Knowledge from an Online Video Platform: A Randomized Controlled Experiment on the Relevance of Integrating Anatomical Information and Clinical Practice
Authors: Grosser Johannes , Bientzle Martina , Shiozawa Thomas , Hirt Bernhard , Kimmerle Joachim 
Published: October 2018

Basic subjects in medical education, such as anatomy, are often taught through teaching formats that do not always sufficiently demonstrate the relevance of this basic information for clinical practice. Accordingly, it is a recent trend in anatomy education to link anatomical information more explicitly to clinical practice. This article presents an online video platform (Tuebingen’s Sectio Chirurgica [TSC]) as one means of explicitly integrating preclinical anatomical knowledge and clinical application. The purpose of the study presented here was to examine the effects of videos through which medical students were educated about Anterior Cruciate Ligament reconstruction. A TSC video about this surgical procedure was compared to a video with a traditional lecture providing the identical information. Participants (n = 114) perceived the TSC video to be superior in comprehensibility of the presentation (P = 0.003) and conceivability of the surgical procedure (P = 0.027), and to be more entertaining (P < 0.001). Moreover, participants in the TSC condition acquired more clinical knowledge than in the lecture condition (P = 0.043) but did not differ in their acquisition of anatomical knowledge. Mediation analyses indicated that the effect on the acquisition of clinical knowledge was mediated by comprehensibility, conceivability, and entertainment. These findings are discussed regarding their implications for medical education in terms of contributing to the general trend of linking preclinical anatomical knowledge to clinical application. A discussion about the limitations of the study and suggestions for future research are also provided.
Estimation and identification issues in the promotion time cure model when the same covariates influence long‐ and short‐term survival
Authors: Lambert Philippe , Bremhorst Vincent 
Published: October 2018

AbstractThe promotion time cure model is a survival model acknowledging that an unidentified proportion of subjects will never experience the event of interest whatever the duration of the follow‐up. We focus our interest on the challenges raised by the strong posterior correlation between some of the regression parameters when the same covariates influence long‐ and short‐term survival. Then, the regression parameters of shared covariates are strongly correlated with, in addition, identification issues when the maximum follow‐up duration is insufficiently long to identify the cured fraction. We investigate how, despite this, plausible values for these parameters can be obtained in a computationally efficient way. The theoretical properties of our strategy will be investigated by simulation and illustrated on clinical data. Practical recommendations will also be made for the analysis of survival data known to include an unidentified cured fraction.