bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of hydroxyl‐bearing polyurethanes from naturally occurring myo‐inositol
Authors: Sudo Atsushi , Kaiba Kohei
Published: May 2019

A route from naturally occurring myo‐inositol to hydroxyl‐bearing polyurethanes has been developed. The diol prepared from the bis‐acetalization of myo‐inositol with 1,1‐dimethoxycyclohexane was reacted with a rigid diisocyanate, 1,3‐bis(isocyanatomethyl)cyclohexane to afford the corresponding polyurethane, of which glass transition temperature (Tg) was quite high as 192 °C. The polyurethane contains side chains inherited from the acetal moieties of the diol monomer and was treated with trifluoroacetic acid to hydrolyze the acetal moieties and afford the target polyurethane functionalized with hydroxyl groups. The presence of many hydroxyl groups in the side chains, which can form hydrogen bonds with each other, resulted in a high Tg, 186 °C. In addition, the hydroxyl groups were reacted with isocyanates to achieve further side‐chain modifications. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1358–1364
The role of oxygen on the growth of palladium clusters synthesized by gas aggregation source
Authors: Chamorro‐Coral William , Caillard Amaël , Brault Pascal , Andreazza Pascal , Coutanceau Christophe , Baranton Stève
Published: May 2019

Palladium clusters are grown using a gas aggregation source coupled to magnetron sputtering with oxygen as reactive gas. Clusters with a mean size between 2.6 and 3.3 nm are obtained. Oxygen enhances the deposition rate by a factor 3 (from 4 to 11 mg/h cm
−2) at the expense of the formation of larger clusters and the modification of the cluster composition. An increase of the oxygen flow rate induces a transition from Pd to PdO, this transition is followed by the formation of 2D structural defects in the crystals as displayed by grazing incidence X‐ray diffraction and high resolution transmission electron microscopy micrographs. Oxygen interacts with both the target and the sputtered atoms, highlighting that the target oxidation could be considered as the key step that drives the cluster growth processes.
Evaluation of the Drug–Drug Interaction Potential of Acalabrutinib and Its Active Metabolite, ACP‐5862, Using a Physiologically‐Based Pharmacokinetic Modeling Approach
Authors: Zhou Diansong , Podoll Terry , Xu Yan , Moorthy Ganesh , Vishwanathan Karthick , Ware Joseph , Slatter J. Greg , Al‐Huniti Nidal
Published: May 2019

Acalabrutinib, a selective, covalent Bruton tyrosine kinase inhibitor, is a CYP3A substrate and weak CYP3A/CYP2C8 inhibitor. A physiologically‐based pharmacokinetic (PBPK) model was developed for acalabrutinib and its active metabolite ACP‐5862 to predict potential drug–drug interactions (DDIs). The model indicated acalabrutinib would not perpetrate a CYP2C8 or CYP3A DDI with the sensitive CYP substrates rosiglitazone or midazolam, respectively. The model reasonably predicted clinically observed acalabrutinib DDI with the CYP3A perpetrators itraconazole (4.80‐fold vs. 5.21‐fold observed) and rifampicin (0.21‐fold vs. 0.23‐fold observed). An increase of two to threefold acalabrutinib area under the curve was predicted for coadministration with moderate CYP3A inhibitors. When both the parent drug and active metabolite (total active components) were considered, the magnitude of the CYP3A DDI was much less significant. PBPK dosing recommendations for DDIs should consider the magnitude of the parent drug excursion, relative to safe parent drug exposures, along with the excursion of total active components to best enable safe and adequate pharmacodynamic coverage.
NONMEM Tutorial Part II: Estimation Methods and Advanced Examples
Authors: Bauer Robert J.
Published: May 2019

In this second tutorial on NONMEM, the examples of typical pharmacokinetic/pharmacodynamic modeling problems that occur in the pharmaceutical field will be presented, which the reader can use as a template for his or her own modeling endeavors. Each of the problems presented is challenging in some way, and the logic behind setting up each problem is discussed. Logical concepts of the problem itself as well as the technical aspect of how to set it up in NONMEM are described and demonstrated. The concepts behind the various estimation algorithms will first be described to allow the user a better understanding of how to use them.
Quantitative Systems Pharmacology Models for a New International Cardiac Safety Regulatory Paradigm: An Overview of the Comprehensive In Vitro Proarrhythmia Assay In Silico Modeling Approach
Authors: Li Zhihua , Garnett Christine , Strauss David G.
Published: May 2019

As a relatively new discipline, quantitative systems pharmacology has seen a significant increase in the application and utility of drug development. One area that could greatly benefit from such an approach is in the proarrhythmia assessment of new drugs. The Comprehensive In Vitro Proarrhythmia Assay (CiPA) Initiative is a global public–private partnership project that has developed an integrated approach using mechanistic in silico models for proarrhythmia risk prediction. Progress to date has led to the formation of the International Council on Harmonisation Implementation Working Group to revise regulatory guidelines via the Questions‐and‐Answers process to address the best practices for proarrhythmia models and how they can impact clinical drug development. This article reviews the CiPA in silico model‐development process, focusing on its unique development and validation strategy, and summarizes the lessons learned as consideration points for the ongoing implementation of CiPA‐like in silico models in drug development.
Enhanced Device Stability of Ionic Gating Molybdenum Disulfide Transistors
Authors: Yang Suk , Jang Sukjin , Choi Daehwan , Namgung Seok Daniel , Kim Hyung-Jun , Kwon Jang-Yeon
Published: May 2019

The application of ion gels as gate dielectrics having an excellent mechanical flexibility and high capacitance to molybdenum disulfide (MoS2) devices has been extensively studied; however, some issues remain unaddressed with regard to device stability such as gate leakage current, hysteresis, and bias stress instability. This study suggests a fabrication process for the ionic gating of the MoS2 device to enhance the device stability by laminating the ion gel film onto the MoS2 transistor using a cut‐and‐stick method and adding a passivation layer to remove unintentional parasitic capacitances generated by the capacitive coupling effect. The ionic gating MoS2 transistor fabricated via this process operates at a low voltage (<1 V) and exhibits superior electrical characteristics such as low gate leakage currents (≈10−11 A), high on–off ratio (>106), and low hysteresis (<0.05 V). To further investigate the device stability, bias stress instability of the ionic gating MoS2 transistor is examined. The charge‐trapping mechanism is the main cause of threshold voltage shifts under gate bias stress.
Visualizing when prior information can reduce the necessary size of a reference sample when estimating in‐control parameters for Shewhart and CUSUM charts for a normal process
Authors: Jeske Daniel R. , Wang Yijia
Published: May 2019

We consider the construction of Shewhart and cumulative sum (CUSUM) charts for a normal process when the in‐control mean and standard deviation must be estimated from a reference sample. Unless the reference sample size is extremely large, substituting the unknown mean and standard deviation with the sample estimates from the reference sample will introduce alarming variability in the conditional (on the reference sample estimates) in‐control average run length. In most applications, some prior information for the mean and standard deviation is available. We investigate how effective Bayes estimators can be in terms of reducing the necessary size of the reference sample. We consider both uniform and conjugate priors, and we show how to construct a graphic that depicts the relationship between the precision in the prior and the relative error in the conditional in‐control average run length.
Robotic sentinel node mapping in clinical stage 1 endometrial cancer using methylene blue dyes using the robotic platform
Authors: Le Tien , McDonald Shannen , Samant Rajiv , Fung Kee Fung Michael
Published: May 2019

Purpose

Endometrial cancer is a surgically staged cancer. We examined our preliminary experience with sentinel lymph node (SLN) mapping in early stage endometrial cancer using methylene blue dyes.

Method

Retrospective review of all clinically stage 1 endometrial cancer staged surgically using the robotic platform. Logistic regression models were built to predict nodal metastasis taking into account age, grade, histology, depth of myometrial invasion, cervical involvement, and use of SLN mapping.

Results

Four hundred sixty‐nine patients were reviewed. Sixty patients had SLN mapping (13%). Four hundred nine patients underwent standard lymphadenectomy with five documented nodal metastasis (1.2%). Five nodal metastasis (8.3%) were seen in the SLN patients. In the logistic model, the application of SLN mapping was significantly associated with diagnosed nodal metastasis (OR 7.74; 95% CI, 2.04‐29.3; P = .003) together with nonendometroid histology (OR 5.05; 95% CI, 1.27‐20.12; P = .022).

Conclusion

SLN mapping protocol using methylene blue significantly identifies more nodal metastasis than standard lymphadenectomy.
Assessing topic model relevance: Evaluation and informative priors
Authors: Fan Angela , Doshi‐Velez Finale , Miratrix Luke
Published: May 2019

Latent Dirichlet allocation (LDA) models trained without stopword removal often produce topics with high posterior probabilities on uninformative words, obscuring the underlying corpus content. Even when canonical stopwords are manually removed, uninformative words common in that corpus will still dominate the most probable words in a topic. In this work, we first show how the standard topic quality measures of coherence and pointwise mutual information act counter‐intuitively in the presence of common but irrelevant words, making it difficult to even quantitatively identify situations in which topics may be dominated by stopwords. We propose an additional topic quality metric that targets the stopword problem, and show that it, unlike the standard measures, correctly correlates with human judgments of quality as defined by concentration of information‐rich words. We also propose a simple‐to‐implement strategy for generating topics that are evaluated to be of much higher quality by both human assessment and our new metric. This approach, a collection of informative priors easily introduced into most LDA‐style inference methods, automatically promotes terms with domain relevance and demotes domain‐specific stop words. We demonstrate this approach's effectiveness in three very different domains: Department of Labor accident reports, online health forum posts, and NIPS abstracts. Overall we find that current practices thought to solve this problem do not do so adequately, and that our proposal offers a substantial improvement for those interested in interpreting their topics as objects in their own right.
Mesenchymal Stem Cell-Derived Extracellular Vesicles as Therapeutics and as a Drug Delivery Platform
Authors: Baek Gyuhyeon , Choi Hojun , Kim Youngeun , Lee Hai-Chon , Choi Chulhee
Published: May 2019

Mesenchymal stem cells (MSCs) are one of the most easily accessible stem cells that can be obtained from various human tissues. They have raised considerable interests for their potential applications in tissue repair, anti-cancer therapy, and inflammation suppression. Stem cell-based therapy was first used to treat muscular dystrophies and has been studied intensively for its efficacy in various disease models, including myocardial infarction, kidney injuries, liver injuries, and cancers. In this review, we summarized the potential mechanisms underlying MSC-derived EVs therapy as a drug delivery platform. Additionally, based on currently published data, we predicted a potential therapeutic role of cargo proteins shuttled by EVs from MSCs. These data may support the therapeutic strategy of using the MSC-derived EVs to accelerate this strategy from bench to bedside. Stem Cells Translational Medicine  2019;8:880–886
A Theoretical Model to Study the Interaction of Erythro‐Noscapines with nsP3 protease of Chikungunya Virus
Authors: Kumar Durgesh , Singh Prashant , Jayaraj Abhilash , Kumar Vinod , Kumari Kamlesh , Patel Rajan
Published: May 2019

For the better management and control of the viral replication, it is essential to discover a potential molecule to combat Chikungunya virus (CHIKV). The work aims to find a potential antiviral molecule via its interactions with the non‐structural protease (nsP3) of CHIKV. It plays a crucial role in intracellular replication. The best molecular interaction is based on the minimum total binding energy of hydrogen bonding, electrostatic interaction and van der Waals forces. It was found that Erythro‐noscapines showed good binding affinity with nsP3 protease of CHIKV (PDB ID: 3GPO) and minimum total binding energy (‐149.964 kcal/mol) to form a more stable complex i. e. 109‐nsP3 protease of CHIKV. Erythro‐noscapines (109, one of the derivatives of erythro‐noscapine) showed better interaction than the reported molecules by different reseach groups via docking. The parameters for bioactivity score and Lipinski “Rule of Five” were calculated to estimate the pharmacokinetic properties of antiviral Erythro‐noscapines and compared to others. 109 can be considered as a good candidate for antiviral replication against nsP3 protease of CHIKV. Molecular dynamics simulations on nsP3 protease of CHIKV with or without 109 was performed and studied. Further, binding free energies of potential noscapine‐nsP3 protease of CHIKV based on Molecular Mechanics‐Generalized Born Suface Area (MM‐GBSA) was calculated. Further, toxicity of top 10 noscapines and reported molecules by different research groups was determined and then, density functional theory was applied to understand the singlet and triplet states of the 109.
A Dual Level Direct Dynamics Study for the Reaction of CF2=CHCF3 (HFC‐1225 zc) and CF2=CHCF2CF3 (HFC‐1327 cz) towards OH Radicals
Authors: Gupta Parth , Rajakumar Balla
Published: May 2019

Long carbon‐chain framework Hydrofluoroolefin (HFOs) systems are considered to be successful alternatives to the routine Hydrofluorocarbons (HFCs). The influence of these HFOs can be understood based on their chemical interaction(s) with the atmospheric oxidants. Therefore, to better assess the impact of HFC‐1225zc and HFC‐1327cz on the Earth's atmosphere, kinetics was investigated with atmosphere's most powerful oxidant, OH radical, in the temperature range of 200–400 K using the CCSD(T)/cc‐pVTZ//M062x/6‐31+G(d,p) level of theory. Temperature dependent hindered‐rotor corrected rate coefficients for the corresponding OH‐addition and H‐abstraction channels were determined using the dual‐level direct dynamics with the Interpolated Single Point Energy method (VTST/ISPE) in conjunction with the Small‐Curvature Tunneling (SCT) corrections. Among the two channels studied, addition channels played an essential role in determining the global reactivity of these HFOs. The global rate coefficients (in 10−13 cm3 molecule−1 sec−1) obtained at 298 K are; k(CF2=CHCF3+OH)=9.41 and k(CF2=CHCF2CF3+OH)=9.11 respectively. COF2, CF3CHO, CF3COCF2OH, CF3CF2CH(F)O, CF3COOH and CF3CF2COOH are the major products formed via the possible O2‐NOx initiated product degradation mechanism for these HFOs. The atmospheric lifetimes for these molecules were found to be 31 and 14 days respectively. Radiative Efficiencies (REs), Global‐Warming Potentials (GWPs), and Photochemical Ozone Creation Potentials (POCPs) are also reported as part of this work.
Cobalt (II) Complexes Derived from Azo‐Azomethine Ligands: Synthesis, Characterization, Solvatochromic, Fluorescence, Thermal, Electrochemical and Antimicrobial Properties
Authors: Arabahmadi Raziyeh
Published: May 2019

Three new cobalt (II) complexes were prepared by the condensation between the ligands, 1‐{3‐[(1‐ethoxy‐2‐hydroxyethyl‐imino)methyl]‐4‐hydroxyphenylazo}‐4‐nitro benzene (L1), 1‐{3‐[(1‐ethoxy‐2‐hydroxethyl‐imino)methyl]‐4‐hydroxyphenylazo}‐2‐chloro‐ 4‐nitrobenzene (L2) and 1‐{3‐[(1‐ethoxy‐2‐hydroxyethyl‐imino)methyl]‐4‐hydroxyphenylazo}‐4‐chloro‐3‐nitrobenzene (L3), with cobalt(II) acetate (molar ratio 1:1) in methanol as the solvent. These prepared cobalt (II) complexes were characterized by infrared, UV/Vis and fluorescence spectroscopy, elemental analysis and magnetic susceptibility measurements. The redox behavior of Schiff base ligands and cobalt (II) complexes determined using cyclic voltammetry technique. The solvatochromic behavior of the Schiff base ligands L1‐L3 were recorded in three organic solvents with different polarity. On the basis of the UV/Vis and infrared spectra, the azo‐azomethin ligands coordinated to the Co (II) ion through phenolic oxygen, alcoholic oxygen, etheric oxygen and imino nitrogen. The prepared ligands and their complexes be served as photoactive materials due to their intraligand (π→π*) fluorescence. The effective magnetic moments of complexes CoL1, CoL2 and CoL3 are 3.95, 3.9 and 3.98 B.M., respectively that indicate these complexes have tetrahedral configuration. Thermal properties and decomposition behaviors of cobalt (II) complexes are reported by DTA/TG curves. Antibacterial activities of both ligands and complexes were studied.
Efficient Synthesis and Biological Evaluation of 2,4‐Diaminothieno[2,3‐d]pyrimidine Derivative
Authors: Hou Na , Man Jiang‐Hong , Wang Xian‐Yu , He Sheng‐Jie , Li Qing , Hu Yang‐Gen
Published: May 2019

Cancer is a main reason for human morbidity and mortality globally. Screening and identifying new anticancer chemical substances is considered as a valid treatment for carcinoma. In our study on synthesis and search towards the development of potential anticancer agents, a series of thieno[2,3‐d]pyrimidine derivatives were prepared from the functionalized iminophosphorane via aza‐Wittig reaction. Their structures were confirmed by 1H NMR, 13C NMR, MS and elemental analysis. The in vitro antitumor activities of compounds were analyzed with CCK8 standard method. It revealed these thieno[2,3‐d]pyrimidine derivatives were exhibited cytotoxicity against HepG2, HEp‐2, and MCF‐7 cell lines. The most potent compounds, 5 h and 5 j, were efficacious against HEp‐2 cells with IC50 1.8μmol/L and 0.8μmol/L, respectively. Meanwhile, 5 a, 5 d and 5 h showed broad spectrum of cytotoxicity for HepG2, Hep2 and MCF‐7 three different cell lines with IC50 range of 1.8‐87.5μmol/L. Furthermore, we demonstrated that cytotoxicity of 5 j was due to the activation of caspase‐9 involved apoptotic pathway, which is death receptor independent.
Detailed Reaction Mechanisms of 4‐Pyridylboronic Acid and (N‐Methyl)‐4‐Pyridinium Boronic Acid with D‐Sorbitol in Aqueous Solution
Authors: Kusuyama Daisuke , Samukawa Yuta , Sugaya Tomoaki , Iwatsuki Satoshi , Inamo Masahiko , Takagi Hideo D. , Ishihara Koji
Published: May 2019

Kinetic measurements of the reactions of (N‐methyl)‐4‐pyridinium boronic acid [(N−Me)‐4‐Py+B(OH)2] and 4‐pyridinium boronic acid [4‐HPy+B(OH)2] with D‐sorbitol in aqueous solution were performed, and the reaction mechanisms were clarified in detail. Both reactions proceeded in one step; i. e., the intermolecular rate‐determining step forming the 2,3‐bicoordinate product was followed by the fast intramolecular step from the bicoordinate product to the 2,3,5‐tricoordinate product. N‐Methylation of 4‐HPy+B(OH)2 was found to dramatically reduce the reactivity of the N‐methylated‐4‐pyridinium boronate ion [(N−Me)‐4‐Py+B(OH)3−], although it had little effect on the reactivity of (N−Me)‐4‐Py+B(OH)2. The reaction rates were enhanced by ion‐pair formation between the boronate ion and the protonated buffer cation.
Keto‐Enol Tautomerization Controls the Acid‐Catalyzed Robinson Annulation ‐ A DFT Study
Authors: Yamabe Shinichi , Tsuchida Noriko , Yamazaki Shoko
Published: May 2019

Three Robinson annulation reactions (A), (B) and (C) were investigated by DFT calculations. (A) is a base catalyzed one, where cyclohexanone, methyl vinyl ketone (MVK) and OH−(H2O)7 were employed as reactants. Eight elementary steps were obtained. The second transition state, TS2(A), is of the Michael addition prompted by the secondary orbital interaction, and TS5(A) is of the aldol condensation. The second TS of E1cB, TS8(A), has an appreciable activation energy, which would make the diketone A‐4 and ketol A‐7 detectable species. (B) is an acid catalyzed reaction, where 2‐methylcyclohexanone, MVK and H3O+(H2O)7 were adopted as reactants. Seven elementary steps were obtained. All the intermediates in B‐2 to B‐7 are neutral species (not protonated). The keto‐enol tautomerization assisted by the proton transfer is involved in all TSs. (C) is a neutral reaction, where 2‐methylcyclopentane‐1,3‐dione, 1‐chloro‐3‐pentanone and (H2O)8 were reactants. The first C−C bond formation is brought about by the nucleophilic substitution (SN2) where the leaving group is the chloride ion. The concomitantly generated H3O+ works as the acid catalyst to promote the subsequent processes. Again, the keto‐enol tautomerization is involved in all TSs.
Synthesis of Highly Active Pd Nanoparticles Supported Iron Oxide Catalyst for Selective Hydrogenation and Cross‐Coupling Reactions in Aqueous Medium
Authors: Shukla Astha , Singha Rajib K. , Sasaki Takehiko , Prasad Vemulapalli V. D. N. , Bal Rajaram
Published: May 2019

Post synthetic approach was successfully employed for the synthesis of Pd supported iron oxide (Pd‐Fe2O3TA) catalyst using polyvinylpyrrolidone as capping agent and triethanolamine as reducing agent. Performance of Pd‐Fe2O3TA catalyst was investigated for selective hydrogenation of nitro compounds and Suzuki coupling reactions. Prepared catalyst exhibited excellent yield of corresponding substituted amines and biphenyls, under optimized reaction conditions. Different analytical techniques such as BET‐surface area measurements, XRD, ICP‐AES, SEM, TEM, XPS, TPR, FT‐IR, RAMAN, UV‐Vis and EXAFS analysis were employed to characterize the catalyst. Average particle size of palladium nanoparticles (NPs) was found to be ∼5.2 nm supported on 60–120 nm size of iron oxide nanocrystals. Various reaction parameters such as time, temperature, solvents, active metal loading, base and different substituent were investigated in detail. Different catalysts were also prepared and compared their activity with that of Pd‐Fe2O3TA catalyst. Experimental observations revealed that size of palladium NPs and metal‐support interaction favoured the superior activity of Pd‐Fe2O3TA catalyst compared to other catalysts. Stability of Pd‐Fe2O3TA catalyst was confirmed by its recyclability tests indicated true heterogeneous nature of catalyst.
Synthesis of Novel 3 a‐Substituted Tetrahydro‐1H‐1λ6‐pyrrolo[1,2‐b]isothiazole‐1,1,3(2H)‐triones through the CSIC Reaction
Authors: Omelian Taras V. , Dobrydnev Alexey V. , Ostapchuk Eugeniy N. , Volovenko Yulian M.
Published: May 2019

We report a strategy for the construction of tetrahydro‐1H‐1λ6‐pyrrolo[1,2‐b]isothiazole‐1,1,3(2H)‐triones bearing the substituents at the 5‐ and/or 3a‐positions. To this purpose, a range of 2‐substituted and 2,4‐disubstituted methyl 2‐pyrrolidinecarboxylates were sulfonylated with methanesulfonyl chloride and the resulting sulfonamides were subjected to sulfa‐Dieckmann condensation through the CSIC (Carbanion mediated Sulfonate (Sulfonamido) Intramolecular Cyclization) reaction to give the desired 1λ6‐isothiazolidine‐1,1,4‐triones. All the precursors, as well as target compounds, could be synthesized in a multigram scale following the general protocols.
One‐Step Interfacial Functionalization and Synthesis of Mo–Modified TiO2 Nanocrystalline as Composite PtRu Anode Catalyst Support for DMFCs
Authors: Li Jia‐Long , Zhao Lei , Li Xi‐Fei , Hao Su‐E , Wang Zhen‐Bo
Published: May 2019

A one‐step approach of synthesis and interfacial functionalization of Mo to modify TiO2 nanocrystallines (iMTNCs) derived from tetrabutyl orthotitanate is proposed through mild alkaline and reductive hydrothermal reaction. Ultrafine crystallite sized TiO2 nanocrystallines (TNCs) with functionalized interface are obtained from the interfered synthesis process by hydrothermal etching and liquid phase infiltration of Mo dopants. The composite iMTNCs−C (incorporated with carbon black) is employed as the functionalized support for PtRu binary catalyst towards methanol electrooxidation. The resultant PtRu/iMTNCs−C catalyst manifests 1.68 times higher mass activity comparing to that of the un‐functionalized catalyst (PtRu/TNCs−C) and 1.44 times enhanced mass activity to PtRu/C catalyst with improved durability. These improvements in catalytic performance are attributed to the electronic donation from Mo functionalized interface of iMTNCs to PtRu nanoparticles (NPs) and ultrafine crystallite sized architecture of composite support. This work suggests a potential application of the functionalized nanocrystalline support material in fuel cell.
In Situ Synthesis of 3D Pt/CdS/ Hydrogenated BiOBr Microspheres with Enhanced Visible Light Photocatalytic Activity
Authors: Ye Jin , Fu Congcong , He Jiahui , Zhou Xuejian , Sun Yangyang , Liu Jiahui , Zhang Yue , Xu Lidong , Wang Juan , Yang Yongfang
Published: May 2019

The construction of heterojunction, the loading of noble metals and introduction of oxygen vacancies are an effective technology to enhance catalyst photocatalytic activity using solar energy. In this paper, 3D Pt/CdS/h‐BiOBr microspheres were successfully synthesized by the method of solvothermal and multiple depositions. Photocatalytic activity of all samples was investigated by degrading methylene blue (MB) under visible light. Among the catalysts, 3D Pt/CdS/h‐BiOBr sample has excellent photocatalytic activity due to improving its light harvesting and charge separation by establishment of heterostructure, which is 1.17, 1.67 and 3.39 times of h‐BiOBr/CdS, h‐BiOBr and BiOBr, respectively
Preparation and Characterization of Porous Carbon@ZnO‐NPs for Organic Compounds Removal: Classical Adsorption Versus Ultrasound Assisted Adsorption
Authors: Anfar Zakaria , Zbair Mohamed , Ahsaine Hassan Ait , Abdellaoui Youness , El Fakir Abdellah Ait , Amaterz El Hassan , Jada Amane , El Alem Noureddine
Published: May 2019

In this paper, the synthesis and characterization of porous carbon (PC) and porous carbon loaded ZnO nanoparticles (PC@ZnO) were investigated. The removal efficiency of Methylene Blue (MB) under ultrasound waves (UAA) and without ultrasound waves (SA) was studied considering the adsorbents dose, contact time, solution pH, temperature and initial dye concentration. Ultrasound irradiation have a positive effect on the removal efficiency of MB whereas ZnO nanoparticles incorporate in the surface of PC improve the regeneration efficiency of PC. PC@ZnO NPs shows high performance of MB removal using UAA, which was used for simultaneous removal of Crystal Violet (CV) and Congo Red (CR). The ultrasonic adsorption of CV/CR on PC@ZnO was found to be dependent on different parameters such as contact time, solution pH and initial dye concentration. The experimental results were found to follow the pseudo‐second‐order and Langmuir models. The adsorbed amount was found to be 64 mg g−1 (for CR) and 109 mg g−1 (for CV). Further, the effects of various parameters such as contact time, pH, initial dye concentration, and CV:CR ratio, were studied using central composite design coupled with response surface methodology. The data showed that the PC@ZnO has strong selective adsorption of CV dye in comparison to CR, and optimum conditions were found to be natural pH, 11.19 mg, (55:45%) of CV:CR ratio, 25 min and 30 mg L−1 at adsorption temperature T=25 °C ± 1. In these conditions, both dyes (CV and CR) are easily regenerated using HCl (0.1 M).
Vacancy‐Induced Synaptic Behavior in 2D WS2 Nanosheet–Based Memristor for Low‐Power Neuromorphic Computing
Authors: Yan Xiaobing , Zhao Qianlong , Chen Andy Paul , Zhao Jianhui , Zhou Zhenyu , Wang Jingjuan , Wang Hong , Zhang Lei , Li Xiaoyan , Xiao Zuoao , Wang Kaiyang , Qin Cuiya , Wang Gong , Pei Yifei , Li Hui , Ren Deliang , Chen Jingsheng , Liu Qi
Published: May 2019

Memristors with nonvolatile memory characteristics have been expected to open a new era for neuromorphic computing and digital logic. However, existing memristor devices based on oxygen vacancy or metal‐ion conductive filament mechanisms generally have large operating currents, which are difficult to meet low‐power consumption requirements. Therefore, it is very necessary to develop new materials to realize memristor devices that are different from the mechanisms of oxygen vacancy or metal‐ion conductive filaments to realize low‐power operation. Herein, high‐performance and low‐power consumption memristors based on 2D WS2 with 2H phase are demonstrated, which show fast ON (OFF) switching times of 13 ns (14 ns), low program current of 1 µA in the ON state, and SET (RESET) energy reaching the level of femtojoules. Moreover, the memristor can mimic basic biological synaptic functions. Importantly, it is proposed that the generation of sulfur and tungsten vacancies and electron hopping between vacancies are dominantly responsible for the resistance switching performance. Density functional theory calculations show that the defect states formed by sulfur and tungsten vacancies are at deep levels, which prevent charge leakage and facilitate the realization of low‐power consumption for neuromorphic computing application.
Inhibition of In‐Plane Charge Transport in Hole Transfer Layer to Achieve High Fill Factor for Inverted Planar Perovskite Solar Cells
Authors: Hu Lijun , Fu Jiehao , Yang Ke , Xiong Zhuang , Wang Ming , Yang Bo , Wang Huaxin , Tang Xiaosheng , Zang Zhigang , Li Meng , Li Jun , Sun Kuan
Published: May 2019

Charge extraction at the active layer‐electrode interfaces is critical in obtaining highly efficient planar perovskite solar cells (PSCs). It is commonly achieved by enhancing the charge carrier mobility of the charge transfer layer (CTL) that possesses a desirable energy level. Nevertheless, the in‐plane movement of charge carriers in the CTL possibly leads to severe charge recombination in the presence of defects at the interfaces. To verify this overlooked possibility, herein, an oxidized monolayer of poly(3,4‐ethylenedioxythiphene):poly(styrenesulfonate) (PEDOT:PSS) hole transfer layer (HTL) is constructed by water rinsing followed by H2O2 oxidation. The oxidized PEDOT:PSS monolayer ensures a high charge transfer ability from perovskite to electrode, but at the same time limits in‐plane charge transport. An inverted planar PSC fabricated on the oxidized PEDOT:PSS monolayer yields a power conversion efficiency (PCE) of 18.8%, higher than 17.0% of the control device based on a pristine PEDOT:PSS monolayer. The main contribution comes from the fill factor (FF), which is as high as 82%. Characterizations indicate that the conjugation length of PEDOT chains is decreased after H2O2 oxidation, which lowers the conductivity of PEDOT:PSS HTL in the in‐plane direction. This study suggests that the charge recombination at the electrode interfaces due to in‐plane charge transport in the CTLs is not to be neglected.
Zwitterionic Polymer: A Facile Interfacial Material Works at Both Anode and Cathode in p‐i‐n Perovskite Solar Cells
Authors: Chen Qiaoyun , Yuan Ligang , Duan Ruomeng , Huang Peng , Fu Jianfei , Ma Hui , Wang Xiaocheng , Zhou Yi , Song Bo
Published: May 2019

To improve the performance of perovskite solar cells (Pero‐SCs), a betaine‐based zwitterionic polymer poly(sulfobetaine methacrylate) (denoted by PSBMA) is employed as interlayers at both the anode and cathode in p‐i‐n Pero‐SCs. 1) At the anode side, PSBMA acts as a glue to stitch the two interfacially unfavorable materials: perovskite and poly(bis(4‐phenyl)(2,4,6‐trimethylphenyl)amine), by which the quality of perovskite films as well as the corresponding device performance greatly improve. 2) At the cathode side, PSBMA smoothes the energy levels between PC61BM and Al, and thus facilitates the electron injection efficiency. The power conversion efficiency (PCE) is promoted from 17.31% to 19.16% after PSBMA is introduced as both anode and cathode sides of the p‐i‐n Pero‐SCs. More importantly, PSBMA also shows great potential for large active area (1 cm × 1 cm) Pero‐SCs, and a PCE as high as 15.7% is achieved.
Nachweis der Ermüdungsfestigkeit mittels Kerbdehnungskonzept
Authors: Ladinek Markus , Niederwanger Alexander , Timmers Ralph , Lang Robert , Osterhuber Dominik
Published: May 2019

Der Nachweis der Ermüdungsfestigkeit wird im Stahlbau hauptsächlich mithilfe des Nennspannungskonzepts geführt, was nicht zuletzt auf die aktuelle Normenlage zurückzuführen ist. Ist die Definition von Nennspannungen aufgrund der Bauteilkomplexität nicht mehr möglich, kann im Rahmen der EN 1993‐1‐9 der Nachweis mittels der Methode der korrigierten Nennspannungen oder mit dem Strukturspannungskonzept geführt werden. Eine Aussage über das örtliche Plastifizieren ist damit nicht möglich, jedoch ist dieses Verhalten implizit erfasst. Das Kerbdehnungskonzept ermöglicht eine Nachweisführung basierend auf lokalen Dehnungen im gekerbten Bereich unter Berücksichtigung plastischer Effekte. Neuere Forschungs‐ und Normungsbemühungen scheinen diesem Bemessungsansatz mehr Aufmerksamkeit zu schenken. Es darf vermutet werden, dass dadurch das Kerbdehnungskonzept auch im deutschsprachigen Raum in Zukunft mehr Akzeptanz und eine breitere Anwendung in der Bemessungspraxis erfahren wird. Da dieses Konzept einige Besonderheiten aufweist, soll der vorliegende Beitrag eine erste Einführung für in der Praxis tätige Ingenieure darstellen.
Entwicklung einer praxisnahen Analyse zur Dämpfungsbestimmung von vorgespannten Seilen und Kabeln
Authors: Mack Thomas , Geier Roman , Strauss Alfred
Published: May 2019

Die Erfassung der Dämpfung von vorgespannten Seilen und Kabeln führte aufgrund von Schwebungen und Superpositionen aller Schwingungsformen immer wieder zu kaum abgesicherten Ergebnissen. Über die letzten Jahrzehnte wurden die Methoden zur Dämpfungsermittlung verfeinert und mittels neuer Softwarepakete beschleunigt, aber die Reproduzierbarkeit der Ergebnisse für das jeweilige Bauteil oder das Gesamtsystem bei neuerlichen Messungen und Auswertungen wurde bisher nicht verfolgt. Im Zuge von Laborversuchen und zugehörigen Verifikationen wurde eine kombinierte Anwendung der bekannten Methoden mit der Nachweisführung durch die neue Reproduktionsmethode erarbeitet. Unabhängig von Messzeitpunkt, Ausschwingvorgang, Auswertepersonal etc. wird als Ergebnis ein Dämpfungskorridor anstatt einer einzelnen Dämpfungszahl bestimmt, in welchem sich je nach aktivierten Dämpfungsparametern im Zuge einer Anregung das Ausschwingen des Bauteils oder Gesamtsystems befindet. Mittels dieser neuen Methode können Dämpfungswerte verlässlich, nachvollziehbar, reproduzierbar und abgesichert für den Betreiber des Ingenieurbauwerks ermittelt werden. Im Zuge der Ermittlung der Eigenfrequenzen ist auch eine Erfassung der Kraft im jeweiligen Seil oder Kabel schnell und einfach kombinierbar.
Warum BIM (noch) nicht die erwartete Produktivitätssteigerung bringt
Authors: Zwielehner Thomas , Spreitzer Peter
Published: May 2019

In letzter Zeit werden Bauprojekte vermehrt mit Methoden des BIM (building information modeling) abgewickelt. Das Marketing der Softwarehersteller einerseits sowie die Initiativen zahlreicher Länder und sonstiger öffentlicher Institutionen andererseits führen dazu, dass bei neuen Projekten fast standardmäßig die Frage im Raum steht, ob diese mittels BIM abgewickelt werden sollen. Mancherorts wird BIM bei öffentlichen Aufträgen schon vorgeschrieben oder eine solche Verpflichtung steht unmittelbar bevor. Viele Pilotprojekte wurden bereits abgeschlossen, und auf die anfängliche Euphorie folgte die Ernüchterung. Oftmals brachte BIM nicht die gewünschten – fast schon versprochenen – Einsparungen oder Verbesserungen. Dieser Bericht zeigt, welche falschen Hoffnungen bei der Einführung von BIM eine Rolle spielen und warum diese nicht erfüllt werden können. BIM als Methode mit transparenten Prozessen, einer offenen Kommunikation und einer neuen Fehlerkultur steht im Gegensatz zur derzeitigen Arbeitsweise in der Baubranche. Es wird dargelegt, wie BIM auf technologischer Ebene grundsätzliche soziale und kulturelle Probleme in Bauprojekten lösen sollte und welche Grundvoraussetzungen für ein Gelingen zu schaffen sind.
An experimental study on the local buckling strength of an SBHS700 stub column with cruciform section
Authors: Nie Jing , Sugimoto Hikaru , Ono Kiyoshi , Miyashita Takeshi , Matsumura Masahide , Okada Seiji
Published: May 2019

Kurita‐Albrecht Young Engineers Award 2018 – Steel

Recently, SBHS (Steels for Bridge High‐Performance Structure) has been introduced in Japan because of its remarkable mechanical properties. The main features of SBHS are high yield strength, improved toughness and weldability, which are superior to conventional steel materials at the corresponding tensile strength grades. In this study, these material properties of SBHS were compared with conventional steel materials through experimental studies as well as the Japanese design specifications. The main focus of this paper is the evaluation of the local buckling strength of two SBHS700 stub columns, each with cruciform section through compression tests. The load‐displacement relationship, strain bifurcation related to plate buckling and out‐of‐plane deformation are discussed. Two test specimens with different width‐to‐thickness ratio parameters RR are compared. As the results indicate, for the specimen having a larger RR, an abrupt decrease in load was observed after the peak load, whereas the decrease in load for the specimen with a smaller RR proceeded gradually after the peak load with a much larger vertical displacement. In terms of local buckling strength, it was found to be possible to evaluate the SBHS700 stub column with cruciform section based on the existing ultimate strength curves.
Interactionism in the Twenty‐First Century: A Letter on Being‐in‐a‐Meaningful‐World
Authors: Fine Gary Alan , Tavory Iddo
Published: May 2019

Half a century after its crystallization, interactionism faces new challenges. While elements of this theoretical tradition have percolated into the broader field of sociology, some of its most radical promises have been ignored. This essay provides a blueprint for how to approach interactionism today: not as a historical remnant, but as a living tradition with much to offer contemporary scholarship. Yet to do so, we argue, interactionism must develop some of its core tenets, offering more explicit links both to the sociology of culture, and to other areas in sociology. Focusing on our own experiences and writings, we point to ways in which the careful study of interaction can provide a font of ideas for the broader sociological discipline. We address the significance of affordances, situational webs, group commitment, embeddedness, and disruption, and show how such reorientation can help us better analyze oppression and privilege.
Failure analysis of a transmission tower subjected to combined wind and rainfall excitations
Authors: Fu Xing , Li Hong‐Nan , Wang Jia
Published: May 2019

Many transmission towers have collapsed during severe gales and thunderstorms, and these failures have traditionally been attributed simply to wind loading. This study attempts to reveal the full failure mechanism of tower structures under strong wind excitation considering the rainfall effect. First, the calculation of rain load for a tower‐line system is provided. Then, an uncertainty analytical method for estimating the strength capacity and predicting the failure pattern of transmission towers induced by wind and rain loads is presented. Next, a real collapsed transmission line is considered to establish the finite element model, followed by the determination of the most vulnerable tower, which is then used to perform the uncertainty analysis. The results illustrate that the collapse basic wind speed considering the rainfall effect is smaller than the pure wind condition. In addition, the failure probability of the tower body is the largest, which is consistent with the deterministic method, whereas the most vulnerable tower began to fail from the tower leg in reality, indicating that the initial broken position of the transmission tower may not occur in the location with the largest probability and that the deterministic method is invalid in some cases. Finally, the influence of the wind attack angle and bundle number of transmission conductor is investigated. The most unfavorable wind attack angle is 90°, and the rainfall effect becomes increasingly significant with increases in the bundle number; this relationship should be given particular attention.
A Distributed Jamming Signal Transmission Method Considering Node Density to Prevent Eavesdropping in Wireless Networks
Authors: Taniguchi Yoshiaki , Nakayama Mizuha
Published: May 2019

In wireless networks, data frames transmitted from wireless node are broadcasted and they can be received in a specific communication area. If an eavesdropper is located in the communication area, not only the receiver node but also the eavesdropper can receive the data. In this letter, we propose a distributed method for reducing the communication area by cooperative jamming among neighbor nodes. In our method, a node becomes a jamming node stochastically based on the locally available information. Through simulation evaluations, we conformed that our method is more effective than the conventional method in the situation where the node density is high. © 2019 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Fisetin activates Hippo pathway and JNK/ERK/AP‐1 signaling to inhibit proliferation and induce apoptosis of human osteosarcoma cells via ZAK overexpression
Authors: Fu Chien‐Yao , Chen Mei‐Chih , Tseng Yan‐Shen , Chen Ming‐Cheng , Zhou Zhengtao , Yang Jaw‐Ji , Lin Yueh‐Min , Viswanadha Vijaya P. , Wang Guiqing , Huang Chih‐Yang
Published: May 2019

Osteosarcoma (OS) is a tumor entity that can cause a large number of cancer‐related deaths. Although chemotherapy can decrease proliferation and increase apoptosis of human OS cells, the clinical prognosis remains poor. Fisetin is a flavonol found in fruits and vegetables and is reported to inhibit cell growth in numerous cancers. But the molecular mechanism underlying fisetin in human OS cells is not clear. It is known that sterile‐alpha motif and leucine zipper containing kinase (ZAK), a kinase in the MAP3K family, is involved in various cell processes, including proliferation and apoptosis. In our lab, we have demonstrated that overexpression of ZAK can induce apoptosis in human OS cells. In the previous studies, MAP4K, the upstream of MAP3K, can act in parallel to MST1/2 to activate LATS1/2 in the Hippo pathway. Turning on the Hippo pathway can decrease proliferation and otherwise cause cell apoptosis in cancer cells. In this study, we found that fisetin can upregulate ZAK expression to induce the Hippo pathway and mediate the activation of JNK/ERK, the downstream of ZAK, to trigger cell apoptosis via AP‐1 dependent manner in human OS cells. These findings reveal a novel molecular mechanism underlying fisetin effect on human OS cells.
Evaluation of full‐field energy dispersive X‐ray fluorescence imaging apparatus and super resolution analysis with compressed sensing technique
Authors: Yamauchi Aoi , Iwasaki Masanori , Hayashi Kazunori , Tsuji Kouichi
Published: May 2019

A full‐field energy dispersive X‐ray fluorescence (FF‐EDXRF) imaging spectrometer that utilizes single‐photon counting analysis with a charge‐coupled device was developed in our laboratory.

We evaluated the developed spectrometer with respect to its energy resolution, spatial resolution, quantitative performance, and elemental imaging and compared it with the corresponding characteristics of scanning‐type EDXRF spectrometers. In addition, we demonstrate that the limit of detection and sensitivity deteriorate as the analytical area decreases. Finally, compressed sensing, which is a widely used information‐processing technique, was applied for clearing XRF images.
On the interior geometry of a typical black hole microstate
Authors: de Boer Jan , van Breukelen Rik , Lokhande Sagar F. , Papadodimas Kyriakos , Verlinde Erik
Published: May 2019

Abstract

We argue that the region behind the horizon of a one-sided black hole can be probed by an analogue of the double-trace deformation protocol of Gao-Jafferis-Wall. This is achieved via a deformation of the CFT Hamiltonian by a term of the form

$$ \mathcal{O}\tilde{\mathcal{O}} $$

O

O
˜

, where

$$ \tilde{\mathcal{O}} $$

O
˜

denote the state-dependent “mirror operators”. We argue that this deformation creates negative energy shockwaves in the bulk, which allow particles inside the horizon to escape and to get directly detected in the CFT. This provides evidence for the smoothness of the horizon of black holes dual to typical states. We argue that the mirror operators allow us to perform an analogue of the Hayden-Preskill decoding protocol. Our claims rely on a technical conjecture about the chaotic behavior of out-of-time-order correlators on typical pure states at scrambling time.
Residual contagion in emerging markets: ‘herd’ and ‘alarm’ effects in informatization
Authors: Fang Min , Yang Shenggang , Lei Yuliang
Published: May 2019

The present study investigates residual contagion of the recent two international crises under the dual functions of “herd effect” and “alarm effects in informatization, focusing on emerging markets. Both the impulse response method and dynamic conditional correlation MGARCH model are used to capture residual contagion from developed markets to emerging markets during the period 2000–2016. The results show that the level of volatility in emerging stock markets was greater than that of developed markets, such as the US and the EU, although they are less integrated with the world. Emerging stock markets are significantly subjected to residual contagion during the US subprime mortgage crisis and Europe’s protracted debt crisis. Moreover, the residual contagion effects of these two crises are noticeably heterogeneous in emerging markets.
Associations between rare microglia‐linked Alzheimer's disease risk variants and subcortical brain volumes in young individuals
Authors: Lancaster Thomas M.
Published: May 2019

Introduction

Recent exome sequencing studies have identified three novel risk variants associated with Alzheimer's disease (AD). However, the mechanisms by which these variants confer risk are largely unknown.

Methods

In the present study, the impact of these rare coding variants (in ABI3, PLCG2, and TREM2) on all subcortical volumes is determined in a large sample of young healthy individuals (N = 756–765; aged 22–35 years).

Results

After multiple testing correction (PCORRECTED < .05), rare variants were associated with basal ganglia volumes (TREM2 and PLCG2 effects within the putamen and pallidum, respectively). Nominal associations between TREM2 and reduced hippocampal and thalamic volumes were also observed.

Discussion

Our observations suggest that rare variants in microglia‐mediated immunity pathway may contribute to the subcortical alterations observed in AD cases. These observations provide further evidence that genetic risk for AD may influence the volume of subcortical volumes and increase AD risk in early life processes.