bluuebunny/crossref_metadata_2025_split huggingface dataset:
Surface Free Energy Estimation: A New Methodology for Solid Surfaces
Authors: Altay Bilge Nazli , Ma Ruoxi , Fleming Paul D. , Joyce Michael J. , Anand Adarsh , Chen Ting , Keskin Bekir , Maddipatla Dinesh , Turkani Vikram S. , Kotkar Prashant R. , Fleck Alexander , Rasheed Rasheed , He Duo 
Published: January 2020

AbstractAn interpretation of solid surfaces is generated based on physical considerations and the laws of thermodynamics. Like the widely used Owens–Wendt (OW) method, the proposed method uses liquids for characterization. Each liquid provides an absolute lower bound on the surface energy with some uncertainty from measurement variations. If multiple liquids are employed, the largest lower bound is taken as the most accurate, with uncertainty due to measurement errors. The more liquids used, the more accurate is the greatest lower bound. This method links generalizations of the Good–Girifalco equation with a general thermodynamic inequality relating the three‐interfacial tensions in a three‐phase equilibrium system. The method always satisfies this inequality with better than a 65% certainty. However, the OW seldom, if ever, conforms to this inequality and even then, the degree of satisfaction is insignificant. A reconciliation of the two methods is proposed based on rescaling the OW surface energies to conform to the inequality. This enables interpretations of dispersion and polar components of the surface energy, which are thermodynamically self‐consistent. The proposed method is also capable of dealing with material exchange between liquid and solid phases, when the surface tension and contact angle of the saturated liquids can be measured.
Highly Sensitive Polarization Rotation Measurement through a High‐Order Vector Beam Generated by a Metasurface
Authors: Yue Fuyong , Aglieri Vincenzo , Piccoli Riccardo , Macaluso Roberto , Toma Andrea , Morandotti Roberto , Razzari Luca 
Published: January 2020

AbstractThe precise determination of the polarization state of light is fundamental for a vast variety of applications in remote sensing, astronomy, optics and terahertz technology, to name just a few. Typically, polarization characterization is performed by using a combination of multiple optical devices such as beam splitters, polarizers, and waveplates. Moreover, to achieve high‐precision, balanced photodetectors and lock‐in amplifiers are employed, thus contributing to increasing system complexity. Here, a technique for polarization rotation measurements with a dynamic range of 180° and a sensitivity of about 10−2 degrees is realized using a properly designed metasurface. Such device generates a vector beam with an azimuthally‐dependent polarization distribution, as a result of the superposition of two vortex beams carrying opposite orbital angular momenta (ℓ = ±30). After propagation through a linear polarizer, the spatial intensity profile of such a beam turns into 60 lobes. By tracking the displacement of only two of these lobes on a camera, the rotation of the input polarization state can be retrieved with high resolution. The proposed approach offers a new route toward the development of compact high‐precision polarimeters and can also be exploited in quantum information processing, optical communications, as well as nonlinear and chiral optics.
Ethical considerations for cardiac surgical interventions in children with trisomy 13 and trisomy 18
Authors: Neubauer Kathryn , Boss Renee D. 
Published: January 2020

AbstractMedical and surgical approaches to children with trisomy 13 and 18 are evolving, and an increasing number of patients are being considered for simple and complex cardiac procedures. This review describes how the shifts in medical and social considerations for children with trisomy 13 and 18 mirror the shifts that occurred 50 years ago for children with trisomy 21. Yet the variability in cardiac lesions, and variability in non‐cardiac comorbidities, is much greater for patients with trisomy 13 and 18 than for those with trisomy 21. That variability, combined with the severe neurologic impairment in survivors, complicates the current risk: benefit balance of surgical intervention. Consistent approaches to care for these patients should be built on an evidence base, and should include contributions from specialists in medical ethics and palliative care.
Photocatalytic Synthesis of Diphosphorous Quinoline Compounds
Authors: Xiong Yunkui , Zhang Yu , Qi Liping , Jiang Minbao , Zhang Jianye , Wang Tao 
Published: January 2020

AbstractHerein, we report the reaction of quinoline with diphenylphosphine oxide in the presence of visible light without catalyst. The reaction completes in 24 h under the mild conditions and the substrates are well tolerant. This method provides a straightforward and environmentally friendly access to diphosphorous quinoline compounds. Similarly, this method can also aid in the phosphate functionalization of some heterocyclic compounds.
Synthesis of a Hemispherical Geodesic Phenine Framework by a Polygon Assembling Strategy
Authors: Mio Tatsuru , Ikemoto Koki , Sato Sota , Isobe Hiroyuki 
Published: January 2020

AbstractA synthetic strategy to construct large geodesic structures of phenine (1,3,5‐trisubstituted benzene) was devised. In this strategy, five pentagons were assembled on an omphalos pentagon, and bridging peripheral pentagons furnished five additional hexagons. Thirty phenine units were synthetically assembled to afford a large C220H180 molecule with a phenine framework isoreticular to a hemispherical, bisected segment of C60. Although a hemispherical structure of the phenine framework was suggested by solution‐phase NMR spectra, crystallographic analysis revealed an oval‐like deformation of the molecular shape. In‐depth structural analyses, including theoretical calculations, showed that structural fluctuations observed as variations in the biaryl torsion angles allowed structural deformations and, at the same time, that the dynamic fluctuations resulted in the spectroscopic observation of a hemisphere as a time‐averaged structure.
In Vitro Light‐Up Visualization of a Subunit‐Specific Enzyme by an AIE Probe via Restriction of Single Molecular Motion
Authors: Zang Tienan , Xie Yachen , Su Sa , Liu Feiran , Chen Qianqian , Jing Jing , Zhang Rubo , Niu Guangle , Zhang Xiaoling 
Published: January 2020

AbstractEnzymes contain several subunits to maintain different biological functions. However, it remains a great challenge for specific discrimination of one subunit over another. Toward this end, the fluorescent probe TPEMA is now presented for highly specific detection of the B subunit of cytosolic creatine (CK) kinase isoenzyme (CK‐B). Owing to its aggregation‐induced emission property, TPEMA shows highly boosted emission toward CK‐B with a fast response time and very low interference from other analytes, including the M subunit of CK (CK‐M). With the aid of a Job plot assay, ITC assay and molecular dynamics simulation, it was directly confirmed that the remarkably enhanced fluorescence of TPEMA in the presence of CK‐B results from the restriction of single molecular motion in the cavity. Selective wash‐free fluorescence imaging of CK‐B in macrophages under different treatments was successfully demonstrated.
Li/Garnet Interface Stabilization by Thermal‐Decomposition Vapor Deposition of an Amorphous Carbon Layer
Authors: Feng Wuliang , Dong Xiaoli , Zhang Xiang , Lai Zhengzhe , Li Panlong , Wang Congxiao , Wang Yonggang , Xia Yongyao 
Published: January 2020

AbstractApplying interlayers is the main strategy to address the large area specific resistance (ASR) of Li/garnet interface. However, studies on eliminating the Li2CO3 and LiOH interfacial lithiophobic contaminants are still insufficient. Here, thermal‐decomposition vapor deposition (TVD) of a carbon modification layer on Li6.75La3Zr1.75Ta0.25O12 (LLZTO) provides a contaminant‐free surface. Owing to the protection of the carbon layer, the air stability of LLZTO is also improved. Moreover, owing to the amorphous structure of the low graphitized carbon (LGC), instant lithiation is achieved, and the ASR of the Li/LLZTO interface is reduced to 9 Ω cm2. Lithium volatilization and Zr4+ reduction are also controllable during TVD. Compared with its high graphitized carbon counterpart (HGC), the LGC‐modified Li/LLZTO interface displays a higher critical current density of 1.2 mA cm−2, as well as moderate Li plating and stripping, which provides enhanced polarization voltage stability.
Iridium‐Catalyzed Silylation of Five‐Membered Heteroarenes: High Sterically Derived Selectivity from a Pyridyl‐Imidazoline Ligand
Authors: Karmel Caleb , Rubel Camille Z. , Kharitonova Elena V. , Hartwig John F. 
Published: January 2020

AbstractThe steric effects of substituents on five‐membered rings are less pronounced than those on six‐membered rings because of the difference in bond angles. Thus, the regioselectivities of reactions of five‐membered heteroarenes that occur with selectivities dictated by steric effects, such as the borylation of C−H bonds, have been poor in many cases. We report that the silylation of five‐membered‐ring heteroarenes occurs with high sterically derived regioselectivity when catalyzed by the combination of [Ir(cod)(OMe)]2 (cod=1,5‐cyclooctadiene) and a phenanthroline ligand or a new pyridyl‐imidazoline ligand that further increases the regioselectivity. The silylation reactions with these catalysts produce high yields of heteroarylsilanes from functionalization at the most sterically accessible C−H bonds of these rings under conditions that the borylation of C−H bonds with previously reported catalysts formed mixtures of products or products that are unstable. The heteroarylsilane products undergo cross‐coupling reactions and substitution reactions with ipso selectivity to generate heteroarenes that bear halogen, aryl, and perfluoroalkyl substituents.
Homonuclear Decoupling in 1H NMR of Solids by Remote Correlation
Authors: Moutzouri Pinelopi , Paruzzo Federico M. , Simões de Almeida Bruno , Stevanato Gabriele , Emsley Lyndon 
Published: January 2020

AbstractThe typical linewidths of 1H NMR spectra of powdered organic solids at 111 kHz magic‐angle spinning (MAS) are of the order of a few hundred Hz. While this is remarkable in comparison to the tens of kHz observed in spectra of static samples, it is still the key limit to the use of 1H in solid‐state NMR, especially for complex systems. Here, we demonstrate a novel strategy to further improve the spectral resolution. We show that the anti‐z‐COSY experiment can be used to reduce the residual line broadening of 1H NMR spectra of powdered organic solids. Results obtained with the anti‐z‐COSY sequence at 100 kHz MAS on thymol, β‐AspAla, and strychnine show an improvement in resolution of up to a factor of two compared to conventional spectra acquired at the same spinning rate.
Minimization of Carrier Losses for Efficient Perovskite Solar Cells through Structural Modification of Triphenylamine Derivatives
Authors: Rodríguez‐Seco Cristina , Méndez Maria , Roldán‐Carmona Cristina , Pudi Ravi , Nazeeruddin Mohammad Khaja , Palomares Emilio Jose 
Published: January 2020

AbstractThree hole transport materials (HTMs) based on a substituted triphenylamine moiety have been synthesized and successfully employed in triple‐cation mixed‐halide PSCs, reaching efficiencies of 19.4 %. The efficiencies, comparable to those obtained using spiro‐OMeTAD, point them out as promising candidates for easily attainable and cost‐effective alternatives for PSCs, given their facile synthesis from commercially available materials. Interestingly, although all these HTMs show similar chemical and physical properties, they provide different carrier recombination kinetics. Our results demonstrate that is feasible through the molecular design of the HTM to minimize carrier losses and, thus, increase the solar cell efficiencies.
Synthesis and Reactivity of Cationic Boron Complexes Distorted by Pyridine‐based Pincer Ligands: Isolation of a Photochemical Hofmann–Martius‐type Intermediate
Authors: Janes Trevor , Diskin‐Posner Yael , Milstein David 
Published: January 2020

AbstractA family of cationic boron complexes was synthesized, using a dianilidopyridine pincer ligand, which imposes in‐plane distortion of the geometry at boron towards T‐shaped. Reactivity of these cations toward hydride and base was investigated, and the utility of these cations as precursors to a variety of π‐conjugated BN heterocycles was demonstrated. 300 nm irradiation of a deprotonated pincer boron complex triggered a C−N cleavage/C−C formation yielding a dearomatized boryl imine, which has a structure akin to the long‐proposed intermediate in the photochemical Hofmann–Martius rearrangement. The photo‐rearrangement triggers relief of the distortion imposed by the pincer ligand.
Evaluation of mass transfer effect and response surface optimization for abatement of phenol and cyanide using immobilized carbon alginate beads in a fixed bio‐column reactor
Authors: Pathak Uttarini , Banerjee Avishek , Roy Teetas , Das Subham Kumar , Das Papita , Kumar Tarkeshwar , Mandal Tamal 
Published: January 2020

AbstractCoke oven sectors dispense phenol and cyanide into the circumferential ecosystem, which becomes a serious concern to the subsistence of the flora and fauna. The current study investigates phenol–cyanide treatment using carbon alginate beads immobilized with mixed bacterial consortium. Response surface using central composite design was contrived for the batch and packed bed bio‐column optimization study. The optimal removal conditions obtained in batch study were 89.77% and 82.33% for phenol and cyanide, respectively, with 10‐g/L adsorbent dosage, time 2 hr, and particle diameter 0.3 cm, whereas 87.22% and 90.97% with 22‐cm column height, column diameter 3 cm, 10‐ml/min flow rate, and 1‐hr operation time. The actual exposure time of the pollutants in the bio‐column reactor was calculated to be 22.15 min. Analysis of variance and model statistics predicted a high coefficient of determination for column operation with R2 = .9950 (phenol), R2 = .9976 (cyanide), and p values < .0001 stating significant model. The quantitative estimation of the combined external mass transfer and biodegradation effect was performed to evaluate correlation as (phenol) and (cyanide) with km = 0.052 and km = 0.055 cm/hr, respectively. The surface morphological study was executed by field emission scanning electron microscopy and Brunauer–Emmett–Teller surface area analysis depicting bacterial film development on the porous carbon matrix for effective treatment of binary system.
Toward a document‐centered ontological theory for information architecture in corporations
Authors: B. Almeida Mauricio , R. Felipe Eduardo , Barcelos Renata 
Published: January 2020

AbstractThe beginning of the 21st century attested to the first movements toward information architecture (IA), originating from the field of library and information science (LIS). IA is acknowledged as an important meta‐discipline concerned with the design, implementation, and maintenance of digital information spaces. Despite the relevance of IA, there is little research about the subject within LIS, and still less if one considers initiatives for creating a theory for IA. In this article, we provide a theory for IA and describe the resources needed to create it through ontological models. We also choose the “document” as the key entity for such theory, contemplating kinds of documents that not only serve to register information, but also create claims and obligations in society. To achieve our goals, we provide a background for subtheories from LIS and from Applied Ontology. As a result, we present some basic theory for IA in the form of a formal framework to represent corporations in which IA activities take place, acknowledging that our approach is de facto a subset of IA we call the enterprise information architecture (EAI) approach. By doing this, we highlight the effects that documents cause within corporations in the scope of EIA.
Photoluminescence and structural analysis of trivalent europium doped MLaAl3O7 (M = Ba, Ca, Mg and Sr) nanophosphors
Authors: Kadyan Sonika , Singh Kuldeep , Singh Sitender , Sheoran Suman , Singh Jasbir , Singh Devender 
Published: January 2020

AbstractThe solution combustion technique was used to synthesize MLaAl3O7 (M = Ba, Ca, Mg, and Sr) nanophosphors‐doped with Eu3+ using metal nitrates as precursors. The photoluminescence (PL) emission spectra exhibited three peaks at 587–591, 610–616, and 653–654 corresponding to 5D0→7F1, 5D0→7F2, and 5D0→7F3 transitions, respectively. Upon excitation at 254 nm, these nanophosphors displayed strong red emission with the dominant peak attributed to the 5D0→7F2 transition of Eu3+. The materials were further heated at 900 and 1050°C for 2 h to examine the consequence of temperature on crystal lattice and PL emission intensity. X‐ray diffraction (XRD) analysis proved that all the synthesized materials were of a crystalline nature. CaLaAl3O7 material has a tetragonal crystal structure with space group P421m. Scherer's equation was used to calculate the crystallite size of synthesized phosphors using XRD data. A Fourier transformation infrared study was used to observe the stretching vibrations of metal–oxygen bonds. Infrared peaks for stretching vibrations corresponding to lanthanum–oxygen and aluminium–oxygen bonds were found at 582 and 777 cm–1 respectively for CaLaAl3O7 phosphor material. Transmission electron microscopy images were used to determine the size of particles (18–37 nm for the as‐prepared materials) and also to analyze the three‐dimensional view of these materials. The experimental data indicate that these materials may be promising red‐emitting nanophosphors for use in white light‐emitting diodes.
Retracted: Alkannin represses growth of pancreatic cancer cells based on the down regulation of miR‐199a
Authors: Zhang Guochang , Zhai Nan , Zhang Xiaofen 
Published: January 2020

AbstractAlkannin displays tumor suppressive activity by initiating apoptosis. Here, we corroborated its role in pancreatic carcinoma (PANC‐1) cells and addressed the molecular mechanism in which microRNA‐199a (miR‐199a) and Klotho might be implicated. PANC‐1 and MIN6 cells were treated by alkannin and its role was evaluated in cellular viability. Next we assessed the ability of PANC‐1 cells to proliferate, migrate, and invade as well as apoptosis process. Besides, proliferating cell nuclear antigen (PCNA), CyclinD1, p53, and caspases were quantified using Western blot. miR‐199a was detected by qRT‐PCR. miR‐199a‐silenced or ‐replenished cells were established to study its function role in Klotho in conjunction with alkannin. Further, Klotho‐overexpressed or ‐silenced cells were constructed to investigate the alteration of mTOR and MEK/ERK pathways. Alkannin repressed the viability of PANC‐1 cells instead of MIN6 cells. Alkannin counteracted the growth of PANC‐1 cells through inhibiting proliferation, migration, and invasion and facilitating apoptosis, which was evidenced by the modulation on PCNA, CyclinD1, p53, and cleavage of caspases. The silence of miR‐199a by alkannin was also involved in the antitumor process. Alkannin enhanced Klotho expression possibly through silencing miR‐199a. Besides, mTOR and MEK/ERK signaling were counteracted by Klotho overexpression while facilitated by its silence. Alkannin inhibited the growth of PANC‐1 cells via modulating miR‐199a‐Klotho node. During this process, mTOR and MEK/ERK pathways were blunted.
Duloxetine and pregabalin in neuropathic pain of lung cancer patients
Authors: Gül Şule Karabulut , Tepetam Hüseyin , Gül Hakan Levent 
Published: January 2020

AbstractIntroductionNeuropathic pain occurs in 1% of the population and is difficult to manage. This chronic pain causes psychological distress and impacts patient's quality of life, especially in cancer patients. The aim of this study was to show and compare the efficacy of pregabalin and duloxetine, which are reported in the group of first‐line treatment at European Federation of Neurological Societies (EFNS) guidelines on the pharmacological treatment of neuropathic pain (2010 revision) in lung cancer patients by using visual analogue scale (VAS) and Leeds Assessment of Neuropathic Symptoms and Sign (LANSS).Patients and MethodsA prospective, randomized, open label, 3 month of study was conducted. A total of 44 patients that were diagnosed with neuropathic pain (14 women and 30 men) were included in the study. Patient's LANSS and VAS values were recorded before treatment. Then, 22 patients undergo pregabalin and 22 patients undergo duloxetine therapy. But due to side effects (dizziness, constipation), two patients had stopped to use pregabalin. Their LANSS and VAS values were recorded after 1 and 3 months of therapy.ResultsWhen we compare LANSS and VAS scores before treatment, after 1 and 3 months of treatment with pregabalin and duloxetine, a significant decrease was observed in both groups at the 1 and 3 months (p < .01). Duloxetine is superior to pregabalin in reducing the LANSS scores when we compare two groups.ConclusionsBoth duloxetine and pregabalin are effective in the treatment of neuropathic pain of lung cancer patients. And as far as we know, this is the first study comparing the efficacy of duloxetine and pregabalin in the neuropathic pain of lung cancer patients.
Do firms with different levels of environmental regulatory pressure behave differently regarding complementarity among innovation practices?
Authors: García‐Marco Teresa , Zouaghi Ferdaous , Sánchez Mercedes 
Published: January 2020

AbstractThis study explores the complementary effects among environmental innovation, organizational innovation, and training for innovation and their effect on firm productivity, within a supermodularity framework. Furthermore, it attempts to understand whether different innovation practices are complements or substitutes for firm profitability according to the industrial environmental regulation context by distinguishing between clean and dirty industries. Using a Spanish technological innovation panel survey over the period 2008–2015, our findings indicate that the interrelationship between different innovation practices is complementary rather than substitutive, and the pattern of complementarity among innovation practices differs according to the environmental regulation under which an industry operates. Engaging in a broad range of innovation practices such as environmental and organizational innovations, clean industry can strengthen productivity. For dirty industries, our results indicate a greater affinity between training activities and environmental innovation than between environmental innovation and organizational innovation on firm productivity achievement. Taken all together, these results provide managers with considerable insights in terms of how to adapt the various combinatorial practices to the industrial environment in which they are embedded, taking market and regulatory pressure into account.