bluuebunny/crossref_metadata_2025 huggingface dataset:
Know Your Limits
Authors: Forest Jerry
Published: October 2018

Process safety professionals continue the elusive search for effective leading indicators. The search is for the one indicator to prevent process safety incidents. API RP 754 has already defined Tier 3 leading indicators as challenges to safety systems. Challenges include safe operating limit (SOL) excursions as well as demands on safety systems. If chosen correctly, SOLs can be successful leading indicators for incident prevention. In fact, SOLs can be a leading indicator to other safety system challenges, including pressure relief devices and safety instrumented system activations.

The process Celanese used to revamp our SOLs is called Know Your Limits. It involves a rigorous review of SOL set points; complete documentation of the technical basis for selection; documentation in standard operating procedures and operator certification/recertification materials; operator training; incident reporting of challenges; and integration with other process safety elements including alarm rationalization and management. A method to measure program effectiveness is presented. Know Your Limits has contributed to our success in reducing loss of primary containment incidents. © 2018 American Institute of Chemical Engineers Process Saf Prog 37: 498–501, 2018
Corrosion under insulation revisited: Aren't we about to finish that project?
Authors: Morey Andrew
Published: October 2018

In 2009, Dow Chemical presented “More Lessons ‘Re‐Learned’ from Corrosion Under Insulation” (Overton, T, “More Lesson's “Re‐learned” from Corrosion Under Insulation”, American Institute of Chemical Engineers, 2009 Spring Meeting and 5th Global Congress on Process Safety, April, 2009) at the 11th Process Plant Safety Symposium. A serious near‐miss related to Corrosion under Insulation (CUI) was described, as well as lessons learned and policy changes enacted after the event. This article will provide an update on Dow's CUI program since that time and detail challenges in maintaining an effective CUI program in today's business environment of mergers, acquisitions, and the continuing drive to be cost‐effective. © 2018 American Institute of Chemical Engineers Process Saf Prog 37: 502–505, 2018
Recombinant human follicle stimulating hormone purification by a short peptide affinity chromatography
Authors: Gurevich Messina Juan M. , Giudicessi Silvana L. , Martínez Ceron María C. , Urtasun Nicolás , Forno Guillermina , Mauro Laura , Cascone Osvaldo , Camperi Silvia A.
Published: October 2018

Peptide KVPLITVSKAK was selected to design a synthetic ligand for affinity chromatography purification of recombinant human follicle stimulating hormone (rhFSH), based on the interaction of the hormone with the exoloop 3 of its receptor. The peptide was acetylated to improve its stability to degradation by exopeptidases. A cysteine was incorporated at the C‐termini to facilitate its immobilization to the chromatographic activated SulfoLink agarose resin. A sample of crude rhFSH was loaded to the affinity column, using 20 mM sodium phosphate, 0.5 mM methionine, and pH 5.6 and 7.2 as adsorption and elution buffers, respectively. The dynamic capacity of the matrix was 54.6 mg rhFSH/mL matrix and the purity 94%. The percentage of oxidized rhFSH was 3.4%, and that of the free subunits was 1.2%, both in the range established by the European Pharmacopeia, as also were the sialic acid content and the isoforms profile.
Numerical Modeling of Abnormal Blocking Effect for the Design of Novel Optical Sensor Element Constructed by Periodic Grating Strips Over Si/SiO2 Wire Waveguide
Authors: Tsarev Andrei , De Leonardis Francesco , Passaro Vittorio M. N.
Published: October 2018

In this paper the numerical modeling of periodic structures for implementation of a novel type of photonic sensors by using the 3D finite difference time domain (FDTD) method is presented. The sensing is based on the optical phenomena occurring in the segmented grating which is placed on the thin silica buffer over the silicon wire waveguide in the silicon‐on‐insulator (SOI) structure. This design provides the effective resonance interaction of the guided wave with the virtual leaky wave supported by the segmented grating evanescently coupled with the silicon wire. The dropping wavelength of this interaction is strongly dependent on the grating environment and it provides a strong refractometricsensitivity (Sn > 420 nm RIU−1) and surface sensitivity Sh > 0.17, evaluated in the case of water. The modeling proves that the effect of abnormal blocking due to virtual leaky wave could be the base for the design of optical sensors with extremely high sensitivity.
Nanoscale Characterization of Active Doping Concentration in Boron‐Doped Individual Si Nanocrystals
Authors: Xu Jie , Li Dongke , Chen Deyuan , Li Wei , Xu Jun
Published: October 2018

Doping of Si nanocrystals (NCs) is essential to the photonic and photovoltaic applications. In this work, individual Si NCs on Si substrate are prepared by excimer laser crystallization technique. The doping effect of boron (B) atoms is characterized at the nanoscale by Kelvin probe force microscopy (KPFM) measurement. The KPFM signal of B‐doped Si NCs is found opposite to that of intrinsic counterparts, indicating that active B doping is obtained. Moreover, the surface potential is reconstructed from KPFM images by Green's electrostatic theorem and deconvolution processing, and accordingly the active doping concentration is calculated around 1017–1018 cm−3. The doping efficiency is then estimated less than 1% and the possible reason is discussed.
Microstructural Evolution of Mechanically Deformed Polycrystalline Silicon for Kerfless Photovoltaics
Authors: Wu Min , Murphy John D. , Jiang Jun , Wilshaw Peter R. , Wilkinson Angus J.
Published: October 2018

Silicon wafers for photovoltaics could be produced without kerf loss by rolling, provided sufficient control of defects such as dislocations can be achieved. A study using mainly high resolution electron backscatter diffraction (HR‐EBSD) of the microstructural evolution of Siemens polycrystalline silicon feedstock during a series of processes designed to mimic high temperature rolling is reported here. The starting material is heavily textured and annealing at 1400 °C results in 90% recrystallization and a reduction in average geometrically necessary dislocation (GND) density from >1014 to 1013 m−2. Subsequent compression at 1150 °C – analogous to rolling – produce sub‐grain boundaries seen as continuous curved high GND content linear features spanning grain interiors. Post‐deformation annealing at 1400 °C facilitates a secondary recrystallization process, resulting in large grains typically of 100 μm diameter. HR‐EBSD gives the final average GND density in as 3.2 × 1012 m−2. This value is considerably higher than the dislocation density of 5 × 1010 m−2 from etch pit counting, so the discrepancy is investigated by direct comparison of GND maps and etch pit patterns. The GND map from HR‐EBSD gives erroneously high values at the method's noise floor (≈1012 m−2) in regions with low dislocation densities.
Conductivity and Surface Passivation Properties of Boron‐Doped Poly‐Silicon Passivated Contacts for c‐Si Solar Cells
Authors: Morisset Audrey , Cabal Raphaël , Grange Bernadette , Marchat Clément , Alvarez José , Gueunier‐Farret Marie‐Estelle , Dubois Sébastien , Kleider Jean‐Paul
Published: October 2018

Passivating the contacts of crystalline silicon (c‐Si) solar cells with a poly‐crystalline silicon (poly Si) layer on top of a thin silicon oxide (SiOx) film are currently of growing interest to reduce recombination at the interface between the metal electrode and the c‐Si substrate. This study focuses on the development of boron‐doped poly‐Si/SiOx structure to obtain a hole selective passivated contact with a reduced recombination current density and a high photo‐voltage potential. The poly‐Si layer is obtained by depositing a hydrogen‐rich amorphous silicon layer by plasma enhanced chemical vapor deposition (PECVD) exposed then to an annealing step. Using the PECVD route enables to single side deposit the poly Si layer, however, a blistering of the layer appears due to its high hydrogen content, which leads to the degradation of the poly‐Si layer after annealing. In this study, the deposition temperature and gas flow ratio used during PECVD step are optimized to obtain blister‐free poly‐Si layer. The stability of the surface passivation properties over time is shown to depend on the blister density. The surface passivation properties are further improved thanks to a post process hydrogenation step. As a result, a mean implied photo‐voltage value of 714 mV is obtained.
On the Geometry of Nanowires and the Role of Torsion
Authors: Gravesen Jens , Willatzen Morten
Published: October 2018

A detailed analysis of the Schrödinger equation in curved coordinates, exact to all orders in the cross sectional dimension is presented, and we discuss the implications of the frame rotation for energies of both open and closed structures. For a circular cross‐section, the energy spectrum is independent of the frame orientation for an open structure. For a closed curve, the energies depend on the holonomy angle of a minimal rotating frame (MR) which is equal to the area enclosed by the tangent image on the unit sphere. In the case of a curve with a well‐defined torsion at all points this is up to a multiple of 2π equal to the total torsion, a result first found in 1992 by Takagi and Tanzawa. In both cases we find that the effect on the eigenstates is a phase shift. We validate our findings by accurate numerical solution of both the exact 3D equations and the approximate 1D equations for a helix structure and find that the error is proportional to the square of the diameter of the cross section. We discuss Dirichlet versus Neumann boundary conditions and show that care has to be taken in the latter case.
Application of a convection‐permitting ensemble prediction system to quantitative precipitation forecasts over southern China: Preliminary results during SCMREX
Authors: Zhang Xubin
Published: October 2018

As a preliminary attempt to cope with the low predictability of heavy rainfall over southern China in the pre‐summer rainy season, an experimental convection‐permitting ensemble prediction system (GM‐CPEPS) based on the Global/Regional Assimilation and Prediction System (GRAPES) is developed. GM‐CPEPS produces 12 h forecasts at 0.03° horizontal resolution based on 16 perturbed members. Perturbations from downscaling, ensemble of data assimilation, time‐lagged scheme and topography are combined to generate the initial perturbations. Sea‐surface temperature is perturbed and a combination of downscaling and balanced random perturbations is used to perturb the lateral boundary conditions. Stochastically perturbed parametrization tendencies, multi‐physics, and perturbed parameters are all implemented.

In this study, GM‐CPEPS was verified over a 15‐day period during the Southern China Monsoon Rainfall Experiment (SCMREX) in May 2014. It was indicated that GM‐CPEPS provided estimates of forecast uncertainty that are comparable to some international peers. Compared with the control forecasts (DET), some deterministic guidance, including the forecast distribution with 90th percentile, probability‐matched mean, and linear combination of both (NPM), showed advantages in forecasting moderate and heavy rainfall; and the optimal‐member technique was superior in reducing bias. Probabilistic guidance demonstrated the value over DET in detecting potential threats of severe weather, with both the optimal‐probability and neighbourhood‐probability technique leading to improvements in predicting lighter rainfall. Two cases were used to display the deterministic and probabilistic guidance intuitively and to illustrate corresponding advantages and drawbacks.
Density functional electric response properties of molecules in Cartesian grid
Authors: Ghosal Abhisek , Mandal Tanmay , Roy Amlan K.
Published: October 2018

Within the finite‐field Kohn–Sham framework, static electric response properties of diatomic molecules are presented. The electronic energy, dipole moment (
μ), static dipole polarizability (
α), and first‐hyperpolarizability (
β) are calculated through a pseudopotential‐DFT implementation in Cartesian coordinate grid, developed in our laboratory earlier. We engage the Labello–Ferreira–Kurtz (LFK) basis set; while four local and nonlocal exchange‐correlation (LDA, BLYP, PBE, and LBVWN) functionals have been adopted. A detailed analysis of grid convergence and its impact on obtained results is presented. In each case the electric field optimization was carefully monitored through a recently prescribed technique. For all three molecules (HCl, HBr, HI) considered, the agreement of all these quantities with widely successful and popular atom‐centered‐grid procedure, is excellent. To assess the efficacy and feasibility, companion calculations are performed for these on a representative molecule (HCl) at distorted geometries, far from equilibrium. Wherever possible, relevant comparison is made with available all‐electron data and experimental results. This demonstrates that Cartesian grid provides accurate, reliable results for such properties of many‐electron systems within pseudopotential representation.
Investigation on the Catalytic Performance of Reduced‐Graphene‐Oxide‐Interpolated FeS2 and FeS for Oxygen Reduction Reaction
Authors: Fang Hengyi , Huang Taizhong , Mao Jianfeng , Yao Shuo , Dinesh M. Mayilvel , Sun Yue , Liang Dong , Qi Lei , Yu Jiemei , Jiang Zhankun
Published: October 2018

The oxygen reduction reaction (ORR) plays a key role in many kinds of energy conversion and energy storage devices, especially in fuel cells. Developing low‐cost, easily prepared, and high‐efficiency catalysts is a crucial factor for the large‐scale applications of fuel cells. Herein, we report the reduced graphene oxide (rGO) interpolated FeS2 and FeS as low cost and high performance electrocatalyst for ORR in the alkaline electrolyte. Cyclic voltammetry tests indicate that the onset potential of the ORR for FeS2@rGO is −0.142 V, which is close to the state‐of‐the‐art commercial Pt/C (‐0.114 V) catalyst. A low Tafel slope of ∼ 98 mV/decade and high durability are also observed for the FeS2@rGO composite for ORR. The reaction kinetics study shows that the rGO‐interpolated FeS2 catalyzed ORR major happen through 4‐electron pathway, but the rGO‐interpolated FeS catalyzed ORR major happen through mixed 2‐electron and 4‐electron pathway. The S−S bond of FeS2 play the major role for the happening of ORR through 4‐electron pathway.
Lead‐Based Organic Frameworks (Pb‐MOFs): Structural, Luminescence and Adsorption Aspects
Authors: Iram Shamaila , Imran Muhammad , Kanwal Farah , Latif Shoomaila , Iqbal Zafar , Stammler Hans‐Georg
Published: October 2018

Three new lead based organic frameworks, [Pb(C6H6O2S2N)2] (1), [Pb(C12H6O4).(H2O)]n (2), [Pb(C14H8O4)]n (3) have been synthesized via hydro/solvothermally using 2‐mercapto‐3‐methyl‐4‐thiazoleacetic acid (H2MMTA), 2,6‐naphthalenedicarboxylic acid (2,6‐NDA) and biphenyl‐4,4′‐dicarboxylic acid (H2BDA) as organic precursors. The resulting metal organic frameworks (MOFs) were characterized by UV/Vis, Fourier transform infrared spectroscopy (FTIR), Scanning electron microscopy (SEM), 1H NMR, Energy dispersive spectroscopy (EDS), Thermogravimetric analysis (TGA) and Powder X‐ray diffraction technique. MOF (1) has also been characterized by single‐crystal X‐ray diffraction method which exhibited a three‐dimensional (3D) framework with an octahedral hemidirected environment around each Pb2+ ion. All these MOFs (1 − 3) were screened for their luminescence activity. This luminescence activity has been assigned to metal‐centred s→p transition in case of MOF (1) and ligand‐to‐metal charge transfer (LMCT) in case of MOFs (2 & 3). Adsorption of N2 gas by these MOFs was investigated and the results of this study are also part of this manuscript.
Amalgamation of CSR and DES: An Energy Efficient Protocol for the One‐Pot Synthesis of 2,4,6‐ Triaryl Pyridine Derivatives.
Authors: S. Kamble Sujit , S. Shankarling Ganapati
Published: October 2018

One pot multi‐component, simple and energy efficient protocol for the synthesis of 2,4,6‐triaryl pyridines mediated via a unique blend of deep eutectic solvents (DES) and concentrated solar radiations (CSR) has been developed. The choline chloride: malonic acid DES employed herein plays a dual role of catalyst and solvent. The employment of CSR is found to be superior to thermal methods in terms of time and energy conservation. Up to 66% of energy conservation is observed following the developed protocol. The amalgamation of DES and renewable energy (CSR), easy synthesis and workup procedure renders the protocol energy efficient and environmentally benign.
Quantitative Prediction of Thiazole Derivatives as Potent Xanthine Oxidase Inhibitors
Authors: Sun Jiaying , Mei Hu
Published: October 2018

In humans, xanthine oxidase (XO) is a critical rate‐limiting enzyme in biosynthesis of uric acid. Moreover, XO is the most promising target to control uric acid levels and the treat of hyperuricemia and gout. However, XO inhibitors can effectively treat gout through the inhibition of urate synthesis, and by impairing the conversion of hypoxanthine and xanthine to uric acid. In this paper, four different quantitative structure‐activity relationship (QSAR) models of 80 thiazole derivatives were constructed to comprehend chemical‐biological interactions and predict their bioactivities using GA‐MLR (Genetic Algorithm‐Multiple Linear Regression), HQSAR (Hologram Quantitative Structure Activity Relationship), Topomer CoMFA (Comparative Molecular Field Analysis) and CoMSIA (Comparative Molecular Similarity Indices Analysis) methods. Furthermore, R2 and Q2 of the obtained GA‐MLR, HQSAR, Topomer CoMFA and CoMSIA models are 0.956 and 0.911, 0.932 and 0.876, 0.946 and 0.917, 0.964 and 0.877, respectively. In addition, the external predictive
values of the GA‐MLR, HQSAR, Topomer CoMFA and CoMSIA models are 0.963, 0.936, 0.973 and 0.934, respectively. Therefore, all QSAR models exhibited good prediction performances, which can be used to quantitatively evaluate bioactivity and screen new XO inhibitors. Moreover, topological charge index, atomic electronegativity and polarizability, atomic van der Waals volumes and hydrophobic van der Waals surface area are very relevant to bioactivity of thiazole derivatives.
Melamine‐Functionalized Chitosan: A New Bio‐Based Reusable Bifunctional Organocatalyst for the Synthesis of Cyanocinnamonitrile Intermediates and Densely Functionalized Nicotinonitrile Derivatives
Authors: Alirezvani Zahra , Dekamin Mohammad G. , Davoodi Farahnaz , Valiey Ehsan
Published: October 2018

New covalently‐modified chitosan materials using 1,3‐dibromopropane and melamine (Cs−Pr−Me) were readily prepared at room temperature through a simple procedure and F characterized by the Fourier transform infrared (FTIR) spectroscopy, field emission scanning electron microscopy (FESEM), thermal gravimetric analysis (TGA) and derivative thermogravimetric (DTG), energy‐dispersive X‐ray (EDX) spectroscopy, X‐ray powder diffraction (XRD) and CHN elemental analysis. The new Cs−Pr−Me bio‐derived materials were successfully investigated, as a heterogeneous bifunctional catalyst, for the Knoevenagel condensation of diverse aromatic aldehydes with malononitrile or ethyl cyanoacetate as well as for the synthesis of 2‐amino‐4,6‐biarylnicotinonitriles through four‐component condensation of 3‐acetylcoumarin, aromatic aldehydes, malononitrile and ammonium acetate. The catalyst could be simply reused several times with negligible loss of its activity. Avoiding the use of toxic transition metals or corrosive reagents for modification of the catalytic activity as well as high activity and stability of the catalyst are another distinguishing advantages of this new methodology.
Hollow Organosilica Nanoparticles for Drug Delivery
Authors: Rahmani Saher , Akrout Alia , Budimir Jelena , Aggad Dina , Daurat Morgane , Godefroy Anastasia , Nguyen Christophe , Largot Hanene , Gary‐Bobo Magali , Raehm Laurence , Durand Jean‐Olivier , Charnay Clarence
Published: October 2018

The sol‐gel synthesis of hollow organosilica nanoparticles incorporating amino groups with uniform size are described. These nanoparticles were successfully prepared via a microemulsion method. Then, the hollow nanoparticles were loaded with gemcitabine hydrochloride or methotrexate and studied in MCF‐7 breast cancer cells.
A Green and Efficient Synthesis of Bioactive 1, 2, 3 ‐ Triazolyl‐Pyridine/Cyanopyridine Hybrids via One‐Pot Multicomponent Grinding Protocol
Authors: Jaabil George , Ranganathan Raja , Ponnuswamy Alagusundaram , Suresh Perumal , Shanmugaiah Vellasamy , Ravikumar Chandrasekaran , Murugavel Saminathan
Published: October 2018

A green and efficient synthesis of bioactive 1,2,3‐triazolyl‐pyridine/cyanopyridine hybrids has been achieved from easily accessible starting materials via one‐pot sequential multicomponent reaction under grinding strategy at room temperature in good to excellent yields. All the synthesized hybrids were evaluated for their antimicrobial activities against three human bacterial pathogens viz. Staphylococcus aureus, Salmonella typhi and Escherichia coli. The 1,2,3‐triazolyl cyanopyridine hybrids with 4‐chlorophenyl (5 c) and 2‐methylphenyl (5 e) substituents and the thiophenyl substituted 1,2,3‐triazolyl pyridine hybrid (5 s) showed remarkable activity better than tetracycline (standard drug). Also the selected compounds were screened for their antioxidant activity in the assay by 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) method.
Solvothermal Systhesis of Size‐Controlled Porous Co3O4 Nanostructure Catalyst and Their Catalytic Properties for VOCs Removal
Authors: Zhao Jiuhu , Han Weiliang , Dong Fang , Zhang Jiyi , Tang Zhicheng
Published: October 2018

Porous Co3O4 nanocatalysts with tunable size were fabricated by solvothermal method using different solvent, such as ethanol, ethylene glycol and water, respectively. After that, the Pd was successfully loaded on the Co3O4 precursor by impregnation method to obtain Pd/Co3O4 catalysts, which were used in toluene total oxidation. The catalyst prepared with ethanol as solvent (Pd/Co3O4‐E) exhibited excellent catalytic performance and the total conversion temperature (T100) was 200 °C at a weight hourly space velocity of 21000 h−1. The influence factors for the performance of the catalysts were characterized by a series of techniques. The SEM, TEM and XRD results of Pd/Co3O4 catalysts displayed the different structure by using different solvent and the Pd/Co3O4‐E exhibited the largest size about 13.6 nm. The BET surface area, surface adsorbed oxygen of the Pd/Co3O4 leaded to the superior activity for toluene total oxidation. The catalytic performance of Pd/Co3O4 catalysts was also associated with the effect of BET surface area of Co3O4 support on Pd dispersion, surface active oxygen and the interaction between Pd nanoparticles and Co3O4.
Hollow Porous Heterometallic Phosphide Nanocubes for Enhanced Electrochemical Water Splitting
Authors: Guo Yanna , Tang Jing , Wang Zhongli , Sugahara Yoshiyuki , Yamauchi Yusuke
Published: October 2018

Highly efficient earth‐abundant electrocatalysts for both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are of great importance for renewable energy conversion systems. Herein, hollow porous heterometallic phosphide nanocubes are developed as a highly active and robust catalyst for electrochemical water splitting via one‐step phosphidation of a NiCoFe Prussian blue analogue. Through modulation of the composition of metals in the precursors, the optimal NiCoFeP exhibiting increased electrical conductivity and abundant electrochemically active sites, leading to high electrocatalytic activities and outstanding kinetics for both HER and OER, is successfully obtained. NiCoFeP shows low overpotentials of 273 mV for OER and 131 mV for HER at a current density of 10 mA cm−2 and quite low Tafel slopes of 35 mV dec−1 for OER and 56 mV dec−1 for HER.
Automated Scalpel Patterning of Solution Processed Thin Films for Fabrication of Transparent MXene Microsupercapacitors
Authors: Salles Pol , Quain Evan , Kurra Narendra , Sarycheva Asia , Gogotsi Yury
Published: October 2018

A simple and generic strategy is proposed to pattern thin films deposited by a solution processable route. A soft approach based on an automated scalpel technique is developed to engrave thin films in a single step for sculpting functional planar devices. MXenes—the emerging family of 2D transition metal carbides and nitrides—combine metallic conductivity and hydrophilicity, enabling solution processing of transparent conducting electrodes (TCEs) under ambient conditions. Scalable dip coating is employed to process titanium carbide, Ti3C2, MXene thin films with excellent optoelectronic properties, achieving electrical Figure of merit up to 14. Automated scalpel engraving is adopted to fabricate transparent and semi‐transparent MXene microsupercapacitors in a single step, hitherto not reported. Combining TCE and pseudocapacitive characteristics, MXene devices show excellent capacitive storage capabilities at high rates, without the aid of external metal current collectors. This technique allows for maskless patterning of solution processed thin films without losing intrinsic physicochemical properties and can be extended to fabricate heterostructured hybrid devices out of solution processable materials.
Nucleus of Circulating Tumor Cell Determines Its Translocation Through Biomimetic Microconstrictions and Its Physical Enrichment by Microfiltration
Authors: Xia Yiqiu , Wan Yuan , Hao Sijie , Nisic Merisa , Harouaka Ramdane A. , Chen Yizhu , Zou Xin , Zheng Si‐Yang
Published: October 2018

The mechanism of cells passing through microconstrictions, such as capillaries and endothelial junctions, influences metastasis of circulating tumor cells (CTCs) in vivo, as well as size‐based enrichment of CTCs in vitro. However, very few studies observe such translocation of microconstrictions in real time, and thus the inherent biophysical mechanism is poorly understood. In this study, a multiplexed microfluidic device is fabricated for real‐time tracking of cell translocation under physiological pressure and recording deformation of the whole cell and nucleus, respectively. It is found that the deformability and size of the nucleus instead of the whole cell dominate cellular translocation through microconstrictions under a normal physiological pressure range. More specifically, cells with a large and stiff nucleus are prone to be blocked by relatively small constrictions. The same phenomenon is also observed in the size‐based enrichment of CTCs from peripheral blood of metastatic cancer patients. These findings are different from a popular viewpoint that the size and deformability of a whole cell mainly determine cell translation through microconstrictions, and thus may elucidate interactions between CTCs and capillaries from a new perspective and guide the rational design of size‐based microfilters for rare cell enrichment.
Surfactant‐Stripped Micelles of Near Infrared Dye and Paclitaxel for Photoacoustic Imaging Guided Photothermal‐Chemotherapy
Authors: Zhang Yicheng , Feng Liangzhu , Wang Jun , Tao Danlei , Liang Chao , Cheng Liang , Hao Erhong , Liu Zhuang
Published: October 2018

Development of nanoagents with strong near‐infrared (NIR) absorbance and high photothermal conversion capacity is highly desired for efficient photoacoustic (PA) imaging and photothermal therapy of cancers. Herein, surfactant‐stripped micelles with photostable near‐infrared dye, β‐thiophene‐fused BF2‐azadipyrromethene (aza‐BDTP), are prepared in the presence of paclitaxel (PTX) with Pluronic F127 as the surfactant. Distinct from hydrophobic aza‐BDTP and PTX, the obtained surfactant‐stripped micelles aza‐BDTP/PTX show excellent solubility, physiological stability, and high loading efficiencies for corresponding aza‐BDTP and PTX. Intriguingly, these aza‐BDTP/PTX micelles exhibit high photothermal conversion efficiency at 33.9%, significantly higher than 16.9% for bare aza‐BDTP molecules, owing to aggregation‐induced quenching of aza‐BDTP fluorescence. With excellent photostability, aza‐BDTP/PTX micelles appear to be a highly stable photoacoustic imaging probe and show efficient tumor accumulation as visualized under photoacoustic imaging upon intravenous injection. After being irradiated with a 785 nm laser, 4T1 tumors on the mice with systemic administration of aza‐BDTP/PTX micelles are fully eradiated without any recurrences within 60 d. This work presents a general method for efficient encapsulation of hydrophobic aza‐BDTP and PTX, obtaining hybrid aza‐BDTP/PTX micelles as promising nanotheranostics for imaging guided cancer combination therapy.
Carbon‐Dot‐Based Heterojunction for Engineering Band‐Edge Position and Photocatalytic Performance
Authors: Hu Shengliang , Yang Wenliang , Li Ning , Wang Huiqi , Yang Jinlong , Chang Qing
Published: October 2018

A photocatalytic reaction is always governed by energy band configuration of the catalyst, but its modulation is challenging. Here, the adjustment of band‐edge positions of Ag3PO4 through fluorescent carbon dots is reported for the first time. Both Ag3PO4 and carbon dots which keep the similar sizes constitute a heterojunction. Such heterostructure not only promotes visible light absorption, photogenerated charge separation, and transfer, but it also transforms photocatalytic activity of Ag3PO4 from photooxidation to photoreduction due to the huge changes of band‐edge positions. In addition, the heterojunction structure of carbon dots and Ag3PO4 exhibits unique temperature‐responsive photocatalytic activities and higher photocatalytic stability than the pure Ag3PO4. According to the contrast experiments and related characterizations, the possible mechanism of photocatalytic reaction is proposed. Therefore, this work offers an alternative route for adjusting energy band positions or tuning photocatalytic performance as well as for preparing novel carbon‐dot‐based heterostructure.
Oxidation or Reduction State of Au Stabilized by an MOF: Active Site Identification for the Three‐Component Coupling Reaction
Authors: Yang Qihao , Jiang Hai‐Long
Published: October 2018

As one of the most efficient catalysts for the three‐component coupling reaction of aldehyde, amine, and alkyne (A3 coupling), Au has attracted extensive attention, but there is a debating issue on whether Auδ+ (δ > 0, representing the oxidation state of Au species) or Au0 is the better active site. According to previous reports, both Auδ+ and Au0 can catalyze the A3 coupling reaction. Therefore, the establishment of a suitable comparison model to identify the better active site is highly desired. In this work, an ideal model to identify the efficient active sites for the A3 coupling reaction based on a metal–organic framework (MOF) platform is rationally fabricated. The Auδ+ in oxidation state can be well bound to the MOF, MIL‐101‐NH2, via postsynthetic modification, and the Au0 catalyst with retained MOF skeleton can be formed via a subsequent one‐step reduction, which provide ideal comparison models with the only difference in the Au oxidation state. Strikingly, the two catalysts exhibit significant activity difference in the A3 coupling reaction. The activity of Auδ+ catalyst is 11‐fold higher than that of Au0, which reveals that Auδ+ serves as a much more effective active site in the A3 coupling reaction.
Cloud application architecture appraiser (CA3): A multicriteria approach and tool for assessing cloud deployment options based on nonfunctional requirements
Authors: Gonçalves Junior Ronaldo , Sampaio Americo , Rolim Tiago , Mendonça Nabor C.
Published: October 2018

Cloud computing is an emerging computing paradigm that is changing software engineering. It offers scalable virtual compute resources at low prices, thus attracting many software developers interested in reducing their infrastructure and operational costs. Even though acquiring and using cloud solutions can be simple, a common difficulty developers face is how to best configure their applications at the architectural level, given a myriad of cloud services and resource types available, specially when considering different attributes such as cost, scalability, and performance. An inappropriate architectural decision can lead to a significant cost increase or a deployment option that does not meet the minimum required performance. This paper focuses on the problem of finding the best cloud deployment options for a given application that meet a given set of well‐known nonfunctional requirements. To address this problem, the paper presents Cloud Application Architecture Appraiser (CA3), a multicriteria optimization approach and tool that relies on nonfunctional requirements as key drivers for assessing and selecting the best architectural options for deploying applications in the cloud. Results from the assessment of a real web application (WordPress), deployed using several different architectural options in a popular cloud provider (Amazon), are also presented to illustrate the use and benefits of the proposed method and tool.
A comparative study and analysis of some pseudorandom number generator algorithms
Authors: Sinha Shobhit , Islam SK Hafizul , Obaidat Mohammad S.
Published: October 2018

In this article, we have investigated the statistical nature of popular pseudorandom number generators (PRNGs) present in the literature and have analyzed their performance against the battery of tests prescribed in NIST SP800‐22rev1a. Different tests performed in this article provide an insight into the PRNGs and have revealed if they are statistically random or not, which is the first criteria in being cryptographically secure. In our study, we have considered the following PRNGs: (a) Linear Congruential Generator, (b) WichMann‐Hill Algorithm, (c) Well Equidistributed Long Period Generator and (d) MIXMAX.
The Influence of Centerline Segregation on the Mechanical Performance and Microstructure of X70 Pipeline Steel
Authors: Guo Fujian , Wang Xuelin , Liu Wenle , Shang Chengjia , Misra R. D. K. , Wang Hua , Zhao Tan , Peng Chunlin
Published: October 2018

Centerline segregation is an inherent phenomenon during solidification. It is controlled by optimizing the continuous casting process, but is not easy to be avoided. According to the severity of centerline segregation of the slab, it affects the mechanical properties and final microstructure of rolled strip. The objective of this paper is to study the influence of centerline segregation degree on the microstructure and mechanical properties of X70 pipeline steels. In this study, the mechanical properties of strips produced from the slabs are examined and the results show that centerline segregation is some adverse effect on Charpy impact toughness and tensile properties of hot‐rolled strips. The strips from slab with higher degree of segregation, exhibits lower Charpy impact toughness, higher tensile strength, higher microhardness. The segregated degree of slab is studied by using the method of Mannesmann, indicating that it could be up to class 3–4. Moreover, the results from Electron Probe Micro Analyzer (EPMA) shows that high level of Mn content is obtained at the centerline of strips processed from the slab with segregation degree of class 3–4. The corresponding microstructure is identified as lath martensite, which should be contributed to the undesirable mechanical properties.
Going Bad and Staying Bad: Crystallizing Dramatic Self Change
Authors: Halldórsson Viðar , Katovich Michael A.
Published: October 2018

Symbolic interactionists recognize how selves transform for better or worse. When transforming for worse, or going bad, selves often stay bad, owing to societal response. In this article, we examine fictional characters from popular media (specifically, Michael Corleone from The Godfather trilogy and Walter White from Breaking Bad) and a nonfictional athlete (Lance Armstrong) to discuss staying bad as self‐conscious choices made by those who go bad. Using Athens' depiction of self transformation and adding the notion of particular trajectories (teleological, immersed, and ideational), we compare and contrast the characters' transformations from noble, or potentially heroic, to unapologetically blemished. Our analogic connection depict patterns of development that stress the fundamental importance of agency in regard to processes of staying bad, even when such agency appears self‐destructive.
Stimulation of the subparafascicular thalamic nucleus modulates dopamine release in the inferior colliculus of rats
Authors: Batton Aiyana D. , Blaha Charles D. , Bieber Allan , Lee Kendall H. , Boschen Suelen L.
Published: October 2018

Although dopamine is commonly studied for its role in incentive motivation, cognition, and various neuropsychiatric disorders, evidence from Parkinson's disease (PD) patients that present auditory deficits suggest that dopamine is also involved in central auditory processing. It has been recently discovered that the subparafascicular thalamic nucleus (SPF) sends dopaminergic projections to the inferior colliculus (IC), an important convergence hub for the ascending and descending auditory pathways. In the present study, our aim was to provide neurochemical evidence that activation of SPF neurons evokes dopamine release in the IC of anesthetized rats using fast‐scan cyclic and paired pulse voltammetry in combination with carbon fiber microelectrodes. Electrical stimulation of the SPF (60 and 90 Hz) evoked dopamine release in the IC in a frequency‐dependent manner, with higher frequencies evoking greater amplitude dopamine responses. Optogenetic‐evoked dopamine responses were similar to the effects of electrical stimulation suggesting that electrical stimulation‐evoked dopamine release was not due to nonspecific activation of fibers of passage, but rather to activation of SPF cells projecting to the IC. Selective dopamine reuptake blockade enhanced the evoked dopamine response, while selective blockade of serotonin did not, confirming the selectivity of the neurochemical recordings to dopamine. Therefore, the SPF neuronal pathway functionally mediates dopamine release in the IC and thus may be involved in auditory processing deficits associated with PD.
Enhancing the seismic performance of mid‐rise wood‐frame buildings with rigid spine columns
Authors: Yang T.Y. , Etebarian Hamidreza
Published: October 2018

Wood‐frame buildings (WFBs) are the most commonly used structural systems for residential applications in North America. Past researches have shown that WFBs are susceptible to soft‐story mechanisms. In this study, a simple, efficient, and economical retrofit strategy, which utilizes continuous pinned‐supported rigid spine columns (RSCs) over the height of the building, is proposed. The retrofit aims to provide uniform deformation through the height of the building to prevent soft‐story mechanisms. This retrofit strategy was applied to a six‐story WFB located in Vancouver, British Columbia, Canada. A three‐dimensional nonlinear finite element model of the prototype building was developed using OpenSees. A comprehensive parametric study was conducted to identify the most economical RSC design. Seismic performance of the prototype building, with and without the most economical RSC design, was assessed through extensive nonlinear time history analyses. Results showed that the proposed retrofit strategy can effectively improve the seismic behavior of WFBs to prevent soft‐story mechanisms.
Wavelet packet and support vector machine analysis of series DC ARC fault detection in photovoltaic system
Authors: Xia Kun , He Sheng , Tan Yuan , Jiang Quan , Xu Jingjun , Yu Wei
Published: October 2018

In a photovoltaic (PV) system, the serial arc is mainly due to the discontinuity in the current‐carrying conductor. Different from the AC arc, the DC arc does not have a periodic zero‐crossing and more easily blossoms into sustained arc, which is more likely to cause accidents. When a serial arc occurs in the DC system, it would lead to a steep drop in current or some unpredictable, irregular change of the current wave. The occurrence of the serial arc can be detected by analyzing the change of amplitude at different frequencies. An arc‐fault detection method based on wavelet packet (WP) and support vector machine (SVM) analysis is proposed in this paper. The threshold to distinguish arcing from normal operation is determined by analyzing the characteristics of the WP coefficients of the DC arc current collected from a real system. Compared to that of the fast Fourier transform (FFT), the effectiveness of the proposed algorithms has been validated with experiments in a 5‐kW grid‐connected PV inverter. © 2018 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Prepubertal exposure to low doses of sodium arsenite impairs spermatogenesis and epididymal histophysiology in rats
Authors: da Cunha de Medeiros Paloma , Samelo Ricardo Rodrigues , Silva Ana Priscila Gomes , da Silva Araujo Santiago Marcella , Duarte Fabio Andrei , de Castro Ítalo Braga , Perobelli Juliana Elaine
Published: October 2018

For the first time, juvenile toxicity of inorganic arsenic (As) was investigated in male rats, focusing on reproductive effects. As is a metalloid naturally occurring in the environment, being the inorganic forms the most toxics. Contaminated drinking water and agricultural products are the main prospectors of intoxication for general population. In the present study, Wistar male rats (21 days old) were distributed into three groups (n = 10/group): control (received vehicle‐filtered drinking water), As1 (received AsNaO2 at 0.01 mg L−1) and As2 (received AsNaO2 at 10 mg L−1). The animals were euthanized on PND 53. Testicular damages increased in As1 and As2 compared to control (ie, presence of vacuolization, acidophilic cells, and epithelium degeneration). Testicular interstitium of As1 and As2 presented fluid's increase and intense inflammatory infiltration. In the epididymis there was reduction of sperm amount in the lumen, besides epithelium areas presenting cribriform aspect in As1 and As2, exfoliation of cells in the light (in As1) and vacuoles (in As2). In epididymis interstitium, inflammatory infiltrates were observed in initial segment of As1 and As2. AsNaO2 changed immunolabeling pattern for androgen receptor in epididymis of As2, although serum testosterone levels was statistically comparable to control. Mass spectrometry revealed higher As concentrations in testis and epididymis of As2 compared to As1 and Control. These results indicate compromise of spermatogenesis and epididymal histophysiology in AsNaO2‐treated animals, possibly impairing sperm quality and fertility in long‐term, even at low levels of exposure. Investigations about the reversibility of reproductive damages are necessary to better understand the mechanisms of As reproductive toxicity.
Prenatal diagnosis, natural history, postnatal treatment and outcome of 222 cases of spina bifida: experience of a tertiary center
Authors: Masini L. , De Luca C. , Noia G. , Caruso A. , Lanzone A. , Rendeli C. , Ausili E. , Massimi L. , Tamburrini G. , Apicella M. , De Santis M.
Published: October 2018

Objectives

To report on the prenatal ultrasonographic diagnosis of spina bifida (SB) and its natural history, treatment and long‐term outcome in a large tertiary referral center.

Methods

All cases of SB diagnosed between February 1980 and December 2015 in the Obstetric Prenatal Diagnosis Day Unit of the Obstetrics and Gynecology Department at the Catholic University of the Sacred Heart, Rome, were reviewed. All infants with an open defect were delivered by elective Cesarean section and underwent early repair of the spinal defect. A ventriculoperitoneal (VP) shunt and/or third ventriculostomy was performed when needed. Complete postnatal follow‐up was carried out by our multidisciplinary team in the majority of cases. The cohort was analyzed in two groups: Group 1 included patients referred between February 1980 and December 1999; Group 2 included patients referred between January 2000 and December 2015.

Results

There was a total of 222 cases of SB with a prenatal diagnosis rate of 94.6% (n = 210), with the majority of defects being meningomyeloceles (n = 142 (64.0%)), affecting the lumbosacral level (n = 110 (49.5%)) and being ≥ 2 cm in size (n = 163/195 (83.6%)). There were 174 (78.4%) live births, with more terminations in Group 2 (26.1%) than in Group 1 (10.8%;P = 0.003). Postnatal surgical repair was conducted in 157 cases (99.4% of eligible cases), with death of an infant who was operated on occurring more often in Group 1 (14.1%) than in Group 2 (4.2%;P = 0.03). VP shunt placement was required in 60.3% of infants operated on after January 2000. Long‐term follow‐up was available for 136 children (111 with open defects and 25 with closed defects). Infants born since 2000 with an open defect had normal ambulation or a mild defect in 50% of cases and normal or mild deficit of sphincter function in 37.8% of cases. An intelligence quotient of ≥ 70 was observed in the majority of children (81.4%; 35/43 cases). Worse motor function was associated with progressive prenatal ventriculomegaly, level of lesion and VP shunt placement.

Conclusions

We describe the prenatal diagnosis, natural history and long‐term outcome of a large contemporary cohort of SB fetuses and infants. In an era of pioneering fetal surgical techniques forin‐uteroSB repair, it is important to acknowledge that advances in conventional neonatology and pediatric neurosurgery have allowed increased life expectancy and improved quality of life in patients with SB. Copyright © 2018 ISUOG. Published by John Wiley & Sons Ltd.