bluuebunny/crossref_metadata_2025 huggingface dataset:
Européanisation versus déseuropéanisation sociale: le sort des économies périphériques bulgare et roumaine
Authors: Delteil Violaine , Kirov Vassil
Published: February 2018

Cet article a pour objectif d’analyser l’influence et les usages de l’Europe appliqués au cas des systèmes de relations professionnelles en Bulgarie et en Roumanie. Une grille analytique visant à appréhender les différents leviers et obstacles du processus d’européanisation est élaborée et appliquée aux trajectoires propres à la Bulgarie et à la Roumanie, avec une attention particulière à la période ouverte depuis la crise de 2007. Questionnant en ce sens les dynamiques d’européanisation et les pressions créées sur les systèmes de relations professionnelles en Bulgarie et en Roumanie, l’article propose respectivement : 1- une section analytique portant sur les différents leviers et dimensions de l’influence et des usages de l’Union européenne, doublée d’une note méthodologique (le travail d’analyse sur la Bulgarie et la Roumanie repose sur 30 entretiens récents menés dans les deux pays); 2- une section discutant à partir de la littérature les dynamiques et limites de l’européanisation des pays d’Europe centrale et orientale (PECO); 3- une analyse des trajectoires propres à la Bulgarie et à la Roumanie depuis la première décennie de transition, en accordant une attention particulière à la période ouverte par la crise de 2007; et enfin, 4- une conclusion qui invite à voir une certaine continuité, sinon complémentarité, entre la dynamique d’européanisation sociale portée par la conversion « néolibérale » de l’UE (Hermann, 2007) et les signes d’une déseuropéanisation programmée de plus en plus manifeste.
ČAJNA KOBASICA‒BEZBEDNOST I KVALITET
Authors: Pećanac Biljana , Tomić Radan , Janjić Jelena , Ćirić Jelena , Baltić Branislav , Grbić Slaven , Baltić Milan
Published: February 2018

Čajna kobasica je verovatno najzastupljenija kobasica iz grupe fermentisanih (sirovih)kobasica na tržištu republika bivše SFR Jugoslavije. S obzirom na to da se nadevove kobasice puni u creva užeg dijametra, proizvodni proces nije dug i omogućavaproizvođačima brz obrt uloženog kapitala. Kobasica je jedinstvenog, blagog ukusa,dobro i lako se narezuje i prihvatljiva je za većinu potrošača. U radu su prikazane najčešćebiološke i hemijske opasnosti koje se vezuju za ovu vrstu kobasice kao i pokazateljikvaliteta ove kobasice koji su definisani propisima.
Political positioning and discursive articulation: the case of the European discourse of the Portuguese Communist Party
Authors: Godinho Luísa
Published: February 2018

The article consists on a diachronic computational analysis of the European discourse of the Portuguese Communist Party. It demonstrates how the process of discoursive articulation has allowed the party to define its political positioning throughout time, particularly in the competitive context initiated in Portugal after the 1974 revolution.
Desempleo y precariedad laboral en mayores de 45 años: una luz al final del túnel
Authors: Amber Diana , Domingo Jesús
Published: February 2018

This work shows the main keys for access to employment and some alternatives for this concerning to unemployed people older than 45 years, provided by experts on training and employment. The study is tackled through a discourse analysis of interviews to experts. The results stand out the orientation and qualification between the recommendations for access to employment; and entrepreneurship, submerged economy and mentoring between the employment alternatives. The conclusions value the great possibilities and the human capital that these people can provide, especially in processes of intergenerational learning and mentoring.
Representations of disability: a longitudinal study of the press
Authors: Cunha Maria João , Pinto Paula Campos
Published: February 2018

In this paper, we will present the results of a study on the social representations of disability found through media analyses of three information print media outlets in Portugal from 2009 to 2013. Quantitative analyses were conducted to assess news variables, disability variables and media awareness of the Convention on the Rights of Persons with Disabilities as well as the news framing mechanisms used. Qualitative assessments were also conducted on sampled articles to examine specific features in media discourse that enable and construct news framing. Implications of these results are discussed as a key dimension to understand the current human rights situation of persons with disabilities in Portugal.
Assessment of venous thromboembolism risk and initiation of appropriate prophylaxis in psychiatric patients
Authors: Ruhe Ann Marie , Hebbard Amy , Hayes Genevieve
Published: February 2018

Introduction:

Venous thromboembolism (VTE) prophylaxis is not included among the measures for the Inpatient Psychiatric Facilities Quality Reporting Program. Evidence suggests that antipsychotic agents may be an independent risk factor for the development of VTE; therefore, development of a VTE risk stratification tool would improve the quality and safety of care for the psychiatric inpatient population. This study aims to develop clinically relevant criteria to assess VTE risk upon admission to an inpatient psychiatric hospital.

Methods:

This retrospective, single-center cohort study enrolled patients in 2 cohorts from an inpatient psychiatric hospital. Patients in cohort I with new-onset VTE diagnosis during admission were identified through international classification of diseases 9 and 10 coding. Cohort II consisted of a random sample of 100 patients in a 3-month period. The percentage meeting criteria for prophylaxis in each cohort was assessed utilizing both the Padua Prediction Score and a modified score.

Results:

In cohorts I and II, 66.7% and 14% of patients, respectively, met criteria for VTE prophylaxis utilizing the modified Padua Prediction Score. One patient received VTE prophylaxis in each cohort, and the median time to VTE diagnosis in cohort I was 42 days. In cohort I, the rate of VTE was 0.08% based on estimated discharges in the 26-month period. This is less than the annual rate of 1% to 2.4% for nursing homes or postacute rehabilitation facilities.

Discussion:

We recommend the implementation of clinical decision support to prompt individualized reassessment of VTE risk when length of stay exceeds 30 days.
Implementasi Metode Metaheuristik Symbiotic Organisms Search Dalam Penentuan Tata Letak Fasilitas Proyek Konstruksi Berdasarkan Jarak Tempuh Pekerja
Authors: Prayogo Doddy , Gosno Richard Antoni , Evander Richard , Limanto Sentosa
Published: February 2018

Penelitian ini menyelidiki performa dari metode metaheuristik baru bernama symbiotic organisms search (SOS) dalam menentukan tata letak fasilitas proyek konstruksi yang optimal berdasarkan jarak tempuh pekerja. Dua buah studi kasus tata letak fasilitas digunakan untuk menguji akurasi dan konsistensi dari SOS. Sebagai tambahan, tiga metode metaheuristik lainnya, yaitu particle swarm optimization, artificial bee colony, dan teaching–learning-based optimization, digunakan sebagai pembanding terhadap algoritma SOS. Hasil simulasi mengindikasikan bahwa algoritma SOS lebih unggul serta memiliki karakteristik untuk menghasilkan titik konvergen lebih cepat jika dibandingkan dengan metode metaheuristik lainnya dalam proses optimasi tata letak fasilitas proyek konstruksi.
The
J
ulia–
K
ocienski Olefination
Authors: Blakemore Paul R. , Sephton Selena Milicevic , Ciganek Engelbert
Published: February 2018

The Julia–Kocienski olefination is a direct connective synthesis of alkenes via the addition of metalated aryl alkyl sulfones to carbonyl compounds. The activating aromatic group associated with the sulfone must possess electrophilic character, and alkene formation occurs via β‐alkoxy sulfone formation, transfer of the aryl group from sulfur to oxygen via a Smiles rearrangement, and then elimination of sulfur dioxide and an aryloxide anion from the resulting β‐aryloxy sulfinate anion. The olefination process itself and the methods used to prepare the requisite sulfone substrates are tolerant of a wide variety of functional groups, and a variety of alkene targets can be prepared. Stereoselectivity is dependent on the nature of the sulfone, the carbonyl compound, the activating aryl moiety, and the reaction conditions.

This chapter describes theoretical and operational aspects of the Julia–Kocienski olefination such that the reader will be able to obtain optimal results in his/her own research. A detailed mechanistic overview is included to account for the factors that influence stereoselectivity and yield. Methods for introducing sulfone activators into fragments of interest, best practices for generating sulfone anions, and optimal strategies for targeting different classes of alkene targets are discussed. Functional group compatibilities, reaction variants, and a comparison to other methods of alkene synthesis are also presented. Tabular surveys are organized according to type of alkene synthesized, with an emphasis on the degree of substitution and the level of conjugation about the newly formed double bond. The literature is covered from the initial disclosure of the Julia–Kocienski olefination in 1991 to the first quarter of 2016.
Spatial Variability of Soil Moisture and the Scale Issue: A Geostatistical Approach
Authors: Zarlenga A. , Fiori A. , Russo D.
Published: February 2018

We study the standard deviation of water saturation SDS as function of the mean saturation
by a stochastic model of unsaturated flow, which is based on the first‐order solution of the three‐dimensional Richards equation. The model assumes spatially variable soil properties, following a given geostatistical description, and it explicitly accounts for the different scales involved in the determination of the spatial properties of saturation: the extent L, i.e., the domain size, the spacing Δ among measurements, and the dimension
associated to the sampling measurement. It is found that the interplay between those scales and the correlation scale I of the hydraulic properties rules the spatial variability of saturation. A “scale effect” manifests for small to intermediate L/I, for which SDS increase with the extent L. This nonergodic effect depends on the structural and hydraulic parameters as well as the scales of the problem, and it is consistent with a similar effect found in field experiments. In turn, the influence of the scale
is to decrease the saturation variability and increase its spatial correlation. Although the solution focuses on the medium heterogeneity as the main driver for the spatial variability of saturation, neglecting other important components, it explicitly links the spatial variation of saturation to the hydraulic properties of the soil, their spatial variability, and the sampling schemes; it can provide a useful tool to assess the impact of scales on the saturation variability, also in view of the several applications that involve the saturation variability.
Poly(rC) binding protein 2 (PCBP2) promotes the viability of human gastric cancer cells by regulating CDK2
Authors: Chen Changyu , Lei Jun , Zheng Qiang , Tan Sheng , Ding Keshuo , Yu Changjun
Published: February 2018

Survival rates for patients with gastric cancer, especially the advanced form, remain poor and the development of targeted treatments is hampered by a lack of efficient biological targets. Poly(rC) binding protein 2 (PCBP2) is an RNA‐binding protein that contributes to mRNA stabilization, translational silencing and enhancement and it has been implicated as a promoter of gastric cancer growth. In the present study, we demonstrated that the expression level of PCBP2 was higher in human gastric cancer tissues compared to adjacent normal gastric tissues. A high level of PCBP2 was correlated with worse postoperative relapse‐free survival and overall survival rates of gastric cancer patients. Small hairpin RNA‐mediated depletion of PCBP2 dramatically decreased the viability of gastric cancer cells. Cyclin‐dependent kinase 2 (CDK2) was positively regulated by PCBP2 via a direct 3′ UTR binding pathway as determined using a ribonucleoprotein immunoprecipitation assay and a biotin pulldown assay. CDK2 mediated the promoting role of PCBP2. These results suggest that PCBP2 acts as an oncogene in human gastric cancer cells and that functionally depleting PCBP2 could be considered as a potential target for gastric cancer therapy.
COMP report: CPQR technical quality control guidelines for radiation treatment centers
Authors: Malkoske Kyle E. , Nielsen Michelle K. , Tantôt Laurent , Pomerleau‐Dalcourt Natalie , Milette Marie‐Pierre , Diamond Kevin R. , Frenière Normand , Bertrand Marie‐Joëlle , Villarreal‐Barajas J. Eduardo , Sasaki David K. , Schella Jason , Grant John , Schreiner L. John , Bissonnette Jean‐Pierre
Published: February 2018

The Canadian Organization of Medical Physicists (COMP), in close partnership with the Canadian Partnership for Quality Radiotherapy (CPQR) has developed a series of Technical Quality Control (TQC) guidelines for radiation treatment equipment. These guidelines outline the performance objectives that equipment should meet in order to ensure an acceptable level of radiation treatment quality. The TQC guidelines have been rigorously reviewed and field tested in a variety of Canadian radiation treatment facilities. The development process enables rapid review and update to keep the guidelines current with changes in technology. This announcement provides an introduction to the guidelines, describing their scope and how they should be interpreted. Details of recommended tests can be found in separate, equipment specific TQC guidelines published in the JACMP (COMP Reports), or the website of the Canadian Partnership for Quality Radiotherapy (www.cpqr.ca).
Excellent Electromagnetic Wave Absorption of Iron‐Containing SiBCN Ceramics at 1158 K High‐Temperature
Authors: Luo Chunjia , Jiao Tian , Tang Yusheng , Kong Jie
Published: February 2018

The enhancement of electromagnetic wave absorption at high‐temperature as well as oxidation is cutting‐edge issue in current electromagnetic functional materials due to the strong demand of stealth aircrafts or aero‐engines working in harsh environments. In this contribution, the excellent electromagnetic wave absorption at 1158 K (885 °C) with a minimum reflection coefficient (RCmin) of −12.62 dB and a wide effective absorption bandwidth (RCmin < –10 dB) of 3.2 GHz was achieved on iron‐containing siliconboron carbonitride (SiBCN) monolithic ceramics by using polymer‐derived ceramics (PDC) route, setting a new record for EM wave absorption materials at high‐temperature. In addition, these materials exhibited desirable mechanical properties and excellent high‐temperature resistance until 1400 °C in argon atmosphere and 885 °C in air atmosphere, respectively. This ingenious strategy is generally benefiting the promotion of EM wave absorption materials with great potential in antenna housings, radomes, areo‐engines, and stealth aircrafts in harsh environments.
Capacitive Enhancement Mechanisms and Design Principles of High‐Performance Graphene Oxide‐Based All‐Solid‐State Supercapacitors
Authors: Gao Yong , Wan Yiyang , Wei Bingqing , Xia Zhenhai
Published: February 2018

Graphene oxide (GO)‐based all‐solid‐state supercapacitors (GO‐A3Ss) are superior over liquid electrolyte‐based supercapacitors and capable of being integrated on a single chip in various geometry shapes for the use of future smart wearable electronics field as a fast energy storage device, but their capacitance need to be improved. Here, a new approach has been developed for enhancing the capacitive capability of the supercapacitors through molecular dynamics simulations with the first‐principle input. A theoretical model of charge storage is developed to understand the unique capacitive enhancement mechanism and to predict the capacitance of the GO‐A3Ss, which agrees well with the experimental observations. A novel supercapacitor with GO and reduced graphene oxide (rGO) alternatively layered structures is designed based on the model, and its energy density is the highest among conventional supercapacitors using liquid electrolytes and all‐solid‐state supercapacitors using aerogels or hydrogels as the solid‐state electrolyte. Based on the predictions, two new types of high‐performance GO/rGO multilayered capacitors are proposed to meet different practical applications. The results of this work provide an approach for the design of high‐performance all‐solid‐state supercapacitors based on GO and rGO materials.
Confined Growth of ZIF‐8 Nanocrystals with Tunable Structural Colors
Authors: Chang Bingdong , Yang Yuanqing , Jansen Henri , Ding Fei , Mølhave Kristian , Sun Hongyu
Published: February 2018

Zeolitic imidazolate frameworks (ZIF‐8) have promising applications as sensors or catalysts due to their highly porous crystalline structures. While most of the previous studies are based on ZIF‐8 crystals either in isolated particles in aqueous environments or in a compact colloidal form, here a facile method is reported to achieve wafer‐based isolated ZIF‐8 nanocrystals to facilitate their integration in microsystems and as surface coatings for catalysis. The fabrication process includes the growth of compact zinc oxide film by atomic layer deposition that functions as the Zn source for the ZIF‐8 synthesis, and the dispersion of gold nanoparticles as inhibitors for the following crystallization transformation of ZIF‐8 crystals. By choosing the concentration of gold nanoparticles, the density of ZIF‐8 nanocrystals can be controlled and the sizes of individual ZIF‐8 crystals can be scaled down to ≈100 nm. A wide range of structural colors generated by the ZIF‐8 nanocrystals is also observed, which can be attributed to the size‐dependent resonant scattering as verified by finite‐difference time‐domain simulations and classical Mie theory. The scalable fabrication of wafer‐based ZIF‐8 nanocrystals empowered with tunable optical properties paves a new way to explore the promising applications in nanophotonics and bionanotechnology.
Optically Transparent Protective Coating for Plastics Using Dual Spray and Atmospheric Plasma Deposition
Authors: Ding Yichuan , Dong Siming , Han Jiahao , He Dongjing , Zhao Zhenlin , Dauskardt Reinhold H.
Published: February 2018

The successful processing of bilayer protective coatings on plastics using a combined spray and atmospheric plasma deposition method is shown. The base layer is a spray deposited coating with high adhesion using (3‐glycidyloxypropyl) trimethoxysilane and tetrapropyl zirconate (TPOZ) precursors. The top dense layer is deposited by atmospheric plasma deposition with a tetraethyl orthosilicate precursor. The coating deposition rate, chemical composition, elastic modulus, hardness, and adhesion to poly(methyl methacrylate) (PMMA) substrates are investigated. The adhesion to the polymer substrate is found to decrease with increasing TPOZ content in the precursor solution, while the elastic modulus and hardness of the base layer increase. A silane surface pretreatment of the PMMA substrate is shown to significantly increase the coating adhesion. The adhesion of the optimized coating is so high that it forces the debond interface change from adhesive failure at the coating/PMMA interface to cohesive failure within the PMMA substrate. The combined bilayer structure exhibits a >90% transparency in the visible wavelengths, eightfold increase in adhesion energy and fourfold increase in Young's modulus compared to commercial sol–gel polysiloxane coatings. The approach provides a strategy for an unprecedented combination of adhesion and mechanical properties.
A Combined Experimental and Computational Study of Gas Sensing by Cu3SnS4 Nanoparticulate Film: High Selectivity, Stability, and Reversibility for Room Temperature H2S Sensing
Authors: M Thripuranthaka , Sharma Neha , Das Tilak , Varhade Swapnil , Badadhe Satish S. , Thotiyl Musthafa Ottakam , Kabir Mukul , Ogale Satishchandra
Published: February 2018

Several binary sulfides are used for sensing of gases such as NH3, NO2, and H2, but not for H2S, especially at room temperature, because of the relative inactivity of metal sulfide surface bonds for this gas. The situation can be entirely different in the ternary case, however, due to the possible synergy of interactions involving dual cation surface chemistry. This is borne out by the present work wherein the Cu3SnS4 material, the Cu‐rich ternary sulfide used for the first time in the gas sensing context, not only senses H2S at room temperature but also remarkably does so with high selectivity and stability. Thus, a combined experimental and computer modeling study on the use of nanocrystalline orthorhombic Cu3SnS4 phase is reported for H2S sensing. The material shows sensitivity for a wide range of H2S concentrations (from 10 to 2000 ppm). The performance of the sensing device fabricated on Kapton substrate remains intact even after several days and multiple bending cycles. Importantly, these experimental findings are consistent with the results of density functional theory calculations for binding energies for different gases, namely, H2S, NO2, NH3, and CO, on Cu3SnS4 surface.
Multiple Synergistic Toughening Graphene Nanocomposites through Cadmium Ions and Cellulose Nanocrystals
Authors: Gao Yuan , Xu Hanjie , Cheng Qunfeng
Published: February 2018

Robust and functional graphene‐based nanocomposites are attractive in flexible electric devices. Herein, a strong and conductive bioinspired graphene‐based nanocomposite is demonstrated via multiple synergistic toughening effect from graphene oxide (GO), cellulose nanocrystals (CNC), and cadmium ion (Cd2+). The multiple synergistic toughening effect can be realized from building blocks of 2D GO nanosheets and 1D CNC, interface interactions of hydrogen bonding from CNC and ionic bonding from Cd2+, resulting in integrated graphene‐based nanocomposites with high strength, and toughness as well as electrical conductivity. This ternary synthetic graphene‐based nanocomposite possessing outstanding physical properties provides a clear vision in the application of flexible electric devices. Furthermore, this bioinspired strategy could also serve as a guideline for the development of high‐performance graphene‐based nanocomposites in the future.
Graphene Tunable Plasmon–Phonon Coupling in Mid‐IR Complementary Metamaterial
Authors: Chen Nan , Hasan Dihan , Ho Chong Pei , Lee Chengkuo
Published: February 2018

Metamaterial‐based plasmonics has become an overwhelming research field due to its enormous potential and versatility in molecular sensing, imaging, and nonlinear optics. This work presents a new tunable plasmonic platform on which the metamaterial resonance is coupled with infrared vibrational bond in the presence of graphene electrostatic modulation. The maximum electric field enhancement factor induced by mode coupling is 14 and the quality factor (Q‐factor) of phonon mode is increased approximately by fourfold. The graphene electrostatic modulation based on the parallel‐plate capacitor configuration enables a wavelength shift of 1.57 nm V−1, resonance intensity and Q‐factor modulation depth of 103.34% and 70%, respectively. Metamaterial based plasmon polariton perfectly matched with phonon mode yields the highest Q‐factor of 40. However, this perfectly matched resonance appears to be prohibitively “switched off” in the electrostatic tuning, which is reported for the first time. Mode splitting investigation reveals the largest coupling strength of 8.1 meV (1.96 THz) that results in the insensitivity to the perturbation caused by graphene modulation. Finally, an averaged sensitivity of 1.677 µm RIU−1 and a tunable figure of merit are reported, depicting the versatility of this platform for multiplexed sensing applications in various conditions.
Flexible and Transparent Organic Phototransistors on Biodegradable Cellulose Nanofibrillated Fiber Substrates
Authors: Park Junsu , Seo Jung‐Hun , Yeom Seung‐Won , Yao Chunhua , Yang Vina W. , Cai Zhiyong , Jhon Young Min , Ju Byeong‐Kwon
Published: February 2018

This work demonstrates flexible, transparent phototransistors that can detect visible light with nontoxic organic active materials on biodegradable substrates toward environment‐friendly electronics. The molybdenum trioxide (MoO3)‐buffered indium zinc oxide as high‐performance hole injector and transparent electrodes is applied for the first time to organic phototransistors on cellulose nanofibrillated fiber substrates to achieve more than 70% of transmittance in the visible range (400–750 nm) while showing high conductivity under multiple bendings. Excellent electrical switching characteristics are obtained from transistors using a pentacene active layer with a saturation mobility value of 1.40 cm2 V−1 s−1. The phototransistors, which can detect visible light and perform in two operation modes, exhibit a maximum responsivity of 54.8 A W−1 and a photosensitivity of 24.4 under white light illumination at an intensity of 0.12 mW cm−2. Moreover, the devices show a stable operation during mechanical bending tests with radii ranging from 100 to 5 mm and cyclic bending tests of up to 2000 cycles at a fixed radius of 5 mm. The results suggest that these flexible phototransistors with properties of transparency and biodegradability have considerable potential for use in low‐cost and eco‐friendly disposable sensor systems.
Water‐Soluble Sulfo‐Fluorous Affinity (SOFA) Tag‐Assisted Enzymatic Synthesis of Oligosaccharides
Authors: Hou Kai‐Ling , Chiang Pei‐Yun , Lin Chien‐Hung , Li Ben‐Yuan , Chien Wei‐Ting , Huang Yu‐Ting , Yu Ching‐Ching , Lin Chun‐Cheng
Published: February 2018

Herein, we report a bifunctional sulfo‐fluorous affinity (SOFA) tag‐assisted enzymatic synthesis and purification strategy for the facile preparation of bioactive glycans using fluorous solid‐phase extraction (FSPE). The incorporation of a sulfonate moiety onto the heavy fluorous tag significantly increases its water solubility, which allows the broad use of the inherently hydrophobic fluorous tag in aqueous buffers. In addition, the SOFA tag contains a photocleavable linker, enabling the easy release of amino‐functionalized oligosaccharides by UV irradiation. The SOFA tag was used in the synthesis of both negatively charged and neutral glycans to demonstrate its broad utility as an acceptor toward six different glycosyltransferases, significantly improving the feasibility of the preparation of complex glycans using FSPE. All the reactions were performed in an aqueous buffer, a minimum amount of methanol was used to purify the products, and the SOFA tag was easily recovered after photo‐irradiation. Thus, the entire synthetic process is environmentally benign.

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H2S Sensing and Splitting on Atom‐Functionalized Carbon Nanotubes: A Theoretical Study
Authors: Liao Ting , Kou Liangzhi , Du Aijun , Chen Lingna , Cao Can , Sun Ziqi
Published: February 2018

Strategies that can manipulate the electronic and chemical properties of carbon nanotubes (CNT) to meet a target application are challenging, and the introduction of atom functionalization is one path toward this goal. Herein, two types of Fe‐atom‐functionalized CNTs, Fe‐adsorbed CNTs (Fe@CNT) and Fe‐welded CNTs, the latter is a new hybrid material combining the merits of both carbon nanotubes and functional welding metals, are examined in terms of their sensitivity toward detecting hydrogen sulfide (H2S) and their selective activity toward chemically converting H2S into valuable fuel resources, for example, elemental sulfur and H2, in the framework of density functional theory (DFT) and the non‐equilibrium Green's function (NEGF) method. The catalytic center formed by the metal and the neighboring under‐coordinated carbon atoms in the Fe‐welded CNT provide an easy pathway for the splitting reaction of H2S molecules and sheds light on the design of efficient atom‐functionalized nanomaterials for other challenging chemical reactions.
Analytical Modeling of Organic–Inorganic CH3NH3PbI3 Perovskite Resistive Switching and its Application for Neuromorphic Recognition
Authors: Ren Yanyun , Milo Valerio , Wang Zhongqiang , Xu Haiyang , Ielmini Daniele , Zhao Xiaoning , Liu Yichun
Published: February 2018

This paper presents an analytical model of resistive switching in organic–inorganic CH3NH3PbI3 perovskite. It is interpreted that the resistive switching phenomenon is due to the formation/rupture of iodine vacancy‐based conductive filament (CF) propagating in both vertical and lateral directions. Set and reset processes are explained in the model by the evolution of the CF length and radius driven by electrical and thermal forces. The model‐based simulation results can describe the experimental results, providing an estimate of several switching parameters such as the activation energy of iodine vacancy migration and the CF diameter. Learning in a two‐transistor/one‐resistor synapse structure is demonstrated by simulations. Finally, the neuromorphic recognition of multiple patterns is demonstrated through a two‐layer neural network consisting of 5625 presynaptic neurons and four postsynaptic neurons.
Mutual Destruction of Deep Lung Tumor Tissues by Nanodrug‐Conjugated Stealth Mesenchymal Stem Cells
Authors: Kim Sang‐Woo , Lee Yeon Kyung , Hong Jeong Hee , Park Jun‐Young , Choi Young‐Ae , Lee Dong Un , Choi Jungil , Sym Sun Jin , Kim Sang‐Hyun , Khang Dongwoo
Published: February 2018

Lung cancer is a highly malignant tumor, and targeted delivery of anti‐cancer drugs to deep lung tumor tissue remains a challenge in drug design. Here, it is demonstrated that bone marrow mesenchymal stem cells armed with nanodrugs are highly targeted and mutually destructive with malignant lung cancer cells and successfully eradicate lung tumors tissues. Using this approach, the current clinical dose of anti‐cancer drugs for the treatment of malignant lung tumors can be decreased by more than 100‐fold without triggering immunotoxicity.
Sequentially Triggered Nanoparticles with Tumor Penetration and Intelligent Drug Release for Pancreatic Cancer Therapy
Authors: He Xi , Chen Xinli , Liu Lisha , Zhang Yu , Lu Yifei , Zhang Yujie , Chen Qinjun , Ruan Chunhui , Guo Qin , Li Chao , Sun Tao , Jiang Chen
Published: February 2018

Pancreatic ductal adenocarcinoma (PDAC) is the most aggressive malignancy with a five year survival rate of <5%. The aberrant expression of extracellular matrix (ECM) in the tumor stroma forms a compact physical barrier, which that leads to insufficient extravasation and penetration of nanosized therapies. To overcome the severe resistance of PDAC to conventional therapies, a sequentially triggered nanoparticle (aptamer/cell‐penetrating peptide‐camptothecin prodrug, i.e., Apt/CPP‐CPTD NPs) with tumor penetration and intelligent drug release profile is designed. An ECM component (tenescin‐C) targeting aptamer (GBI‐10) is modified onto stroma‐permeable cell‐penetrating peptide (CPP) for the in vivo CPP camouflage and PDAC‐homing. In PDAC stroma, tenascin‐C can detach GBI‐10 from CPP and exposed CPP can facilitate further PDAC penetration and tumor cell endocytosis. After being endocytosed into PDAC cells, intracellular high redox potential can further trigger controlled chemodrug release. Apt/CPP‐CPTD NPs show both deep penetration in vitro 3D PDAC spheroids and in vivo tumor sections. The relatively mild in vitro cytotoxicity and excellent in vivo antitumor efficacy proves the improved PDAC targeting drug delivery and decreased systemic toxicity. The design of ECM‐redox sequentially triggered stroma permeable NPs may provide a practical approach for deep penetration of PDAC and enhanced drug delivery efficacy.
Validation study on spatially averaged two‐fluid model for gas‐solid flows: II. Application to risers and fluidized beds
Authors: Schneiderbauer Simon
Published: February 2018

In our prior study (Schneiderbauer, AIChE J. 2017;63(8):3544–3562), a spatially averaged two‐fluid model (SA‐TFM) was presented, where closure models for the unresolved terms were derived. These closures require constitutive relations for the turbulent kinetic energies of the gas and solids phase as well as for the subfilter variance of the solids volume fraction. We had ascertained that the filtered model do yield nearly the same time‐averaged macroscale flow behavior in bubbling fluidized beds as the underlying kinetic‐theory‐based two‐fluid model, thus verifying the SA‐TFM model approach. In the present study, a set of 3D computational simulations for validation of the SA‐TFM against the experimental data on riser flow and bubbling fluidized beds is performed. Finally, the SA‐TFM predictions are in fairly good agreement with experimental data in the case of Geldart A and B particles even though using very coarse grids. © 2018 The Authors AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers AIChE J, 64: 1606–1617, 2018
Novel climates reverse carbon uptake of atmospherically dependent epiphytes: Climatic constraints on the iconic boreal forest lichen Evernia mesomorpha
Authors: Smith Robert J. , Nelson Peter R. , Jovan Sarah , Hanson Paul J. , McCune Bruce
Published: February 2018

Premise of the Study

Changing climates are expected to affect the abundance and distribution of global vegetation, especially plants and lichens with an epiphytic lifestyle and direct exposure to atmospheric variation. The study of epiphytes could improve understanding of biological responses to climatic changes, but only if the conditions that elicit physiological performance changes are clearly defined.

Methods

We evaluated individual growth performance of the epiphytic lichen Evernia mesomorpha, an iconic boreal forest indicator species, in the first year of a decade‐long experiment featuring whole‐ecosystem warming and drying. Field experimental enclosures were located near the southern edge of the species’ range.

Key Results

Mean annual biomass growth of Evernia significantly declined 6 percentage points for every +1°C of experimental warming after accounting for interactions with atmospheric drying. Mean annual biomass growth was 14% in ambient treatments, 2% in unheated control treatments, and −9% to −19% (decreases) in energy‐added treatments ranging from +2.25 to +9.00°C above ambient temperatures. Warming‐induced biomass losses among persistent individuals were suggestive evidence of an extinction debt that could precede further local mortality events.

Conclusions

Changing patterns of warming and drying would decrease or reverse Evernia growth at its southern range margins, with potential consequences for the maintenance of local and regional populations. Negative carbon balances among persisting individuals could physiologically commit these epiphytes to local extinction. Our findings illuminate the processes underlying local extinctions of epiphytes and suggest broader consequences for range shrinkage if dispersal and recruitment rates cannot keep pace.
High‐Throughput Kinetic Analysis for Target‐Directed Covalent Ligand Discovery
Authors: Craven Gregory B. , Affron Dominic P. , Allen Charlotte E. , Matthies Stefan , Greener Joe G. , Morgan Rhodri M. L. , Tate Edward W. , Armstrong Alan , Mann David J.
Published: February 2018

Cysteine‐reactive small molecules are used as chemical probes of biological systems and as medicines. Identifying high‐quality covalent ligands requires comprehensive kinetic analysis to distinguish selective binders from pan‐reactive compounds. Quantitative irreversible tethering (qIT), a general method for screening cysteine‐reactive small molecules based upon the maximization of kinetic selectivity, is described. This method was applied prospectively to discover covalent fragments that target the clinically important cell cycle regulator Cdk2. Crystal structures of the inhibitor complexes validate the approach and guide further optimization. The power of this technique is highlighted by the identification of a Cdk2‐selective allosteric (type IV) kinase inhibitor whose novel mode‐of‐action could be exploited therapeutically.
Alkenylation of C(sp3)−H Bonds by Zincation/Copper‐Catalyzed Cross‐Coupling with Iodonium Salts
Authors: Liu Chuan , Wang Qiu
Published: February 2018

α‐Vinylation of phosphonates, phosphine oxides, sulfones, sulfonamides, and sulfoxides has been achieved by selective C−H zincation and copper‐catalyzed C(sp3)−C(sp2) cross‐coupling reaction using vinylphenyliodonium salts. The vinylation transformation proceeds in high efficiency and stereospecificity under mild reaction conditions. This zincative cross‐coupling reaction represents a general alkenylation strategy, which is also applicable for α‐alkenylation of esters, amides, and nitriles in the synthesis of β,γ‐unsaturated carbonyl compounds.
Hydrophilie als bestimmender Faktor des Stealth‐Effekts von Polyphosphoester‐funktionalisierten Nanoträgern
Authors: Simon Johanna , Wolf Thomas , Klein Katja , Landfester Katharina , Wurm Frederik R. , Mailänder Volker
Published: February 2018

Die Anbindung von Polymeren, besonders von Polyethylenglycol (PEG), ist eine effektive Methode, um die Plasma‐Halbwertszeit von Wirkstoffträgern zu verlängern. Dieser Effekt wird der allgemeinen Abnahme der Proteinadsorption auf hydrophilen Oberflächen zusammen mit der Adsorption spezifischer Proteine zugeschrieben, jedoch sind die molekularen Ursachen für den Erfolg von PEG und anderer hydrophiler Polymere weitgehend unbekannt. Um diesen Stealth‐Effekt der Polymerhülle besser kontrollieren zu können, wurden Polyphosphoester‐beschichtete Nanocarrier mit definiert hydrophilen Eigenschaften hergestellt. Dabei zeigte sich, dass der LogP‐Wert der Copolymere die Zusammensetzung der Proteinkorona sowie die Zellinteraktionen beeinflusst. Trotz signifikanter Änderung der hydrophilen Eigenschaften bleibt die Gesamtmenge der aus dem Blut adsorbierten Proteine auf den Nanocarriern gleich, während sich die Zusammensetzung der Proteinkorona verändert. Dies unterstreicht die Bedeutung der Proteinklassen in der Proteinkorona und deren Einfluss auf die zelluläre Aufnahme.
A Highly Active N‐Heterocyclic Carbene Manganese(I) Complex for Selective Electrocatalytic CO2 Reduction to CO
Authors: Franco Federico , Pinto Mara F. , Royo Beatriz , Lloret‐Fillol Julio
Published: February 2018

We report here the first purely organometallic fac‐[MnI(CO)3(bis‐MeNHC)Br] complex with unprecedented activity for the selective electrocatalytic reduction of CO2 to CO, exceeding 100 turnovers with excellent faradaic yields (ηCO≈95 %) in anhydrous CH3CN. Under the same conditions, a maximum turnover frequency (TOFmax) of 2100 s−1 was measured by cyclic voltammetry, which clearly exceeds the values reported for other manganese‐based catalysts. Moreover, the addition of water leads to the highest TOFmax value (ca. 320 000 s−1) ever reported for a manganese‐based catalyst. A MnI tetracarbonyl intermediate was detected under catalytic conditions for the first time.
Dual‐Functional Small Molecules for Generating an Efficient Cytochrome P450BM3 Peroxygenase
Authors: Ma Nana , Chen Zhifeng , Chen Jie , Chen Jingfei , Wang Cong , Zhou Haifeng , Yao Lishan , Shoji Osami , Watanabe Yoshihito , Cong Zhiqi
Published: February 2018

We report a unique strategy for the development of a H2O2‐dependent cytochrome P450BM3 system, which catalyzes the monooxygenation of non‐native substrates with the assistance of dual‐functional small molecules (DFSMs), such as N‐(ω‐imidazolyl fatty acyl)‐l‐amino acids. The acyl amino acid group of DFSM is responsible for bounding to enzyme as an anchoring group, while the imidazolyl group plays the role of general acid–base catalyst in the activation of H2O2. This system affords the best peroxygenase activity for the epoxidation of styrene, sulfoxidation of thioanisole, and hydroxylation of ethylbenzene among those P450–H2O2 system previously reported. This work provides the first example of the activation of the normally H2O2‐inert P450s through the introduction of an exogenous small molecule. This approach improves the potential use of P450s in organic synthesis as it avoids the expensive consumption of the reduced nicotinamide cofactor NAD(P)H and its dependent electron transport system. This introduces a promising approach for exploiting enzyme activity and function based on direct chemical intervention in the catalytic process.
The Large Second‐Harmonic Generation of LiCs2PO4 is caused by the Metal‐Cation‐Centered Groups
Authors: Cheng Xiyue , Whangbo Myung‐Hwan , Guo Guo‐Cong , Hong Maochun , Deng Shuiquan
Published: February 2018

We evaluated the individual atom contributions to the second harmonic generation (SHG) coefficients of LiCs2PO4 (LCPO) by introducing the partial response functionals on the basis of first principles calculations. The SHG response of LCPO is dominated by the metal‐cation‐centered groups CsO6 and LiO4, not by the nonmetal‐cation‐centered groups PO4 expected from the existing models and theories. The SHG coefficients of LCPO are determined mainly by the occupied orbitals O 2p and Cs 5p as well as by the unoccupied orbitals Cs 5d and Li 2p. For the SHG response of a material, the polarizable atomic orbitals of the occupied and the unoccupied states are both important.
Perfluoroaryl Bicyclic Cell‐Penetrating Peptides for Delivery of Antisense Oligonucleotides
Authors: Wolfe Justin M. , Fadzen Colin M. , Holden Rebecca L. , Yao Monica , Hanson Gunnar J. , Pentelute Bradley L.
Published: February 2018

Exon‐skipping antisense oligonucleotides are effective treatments for genetic diseases, yet exon‐skipping activity requires that these macromolecules reach the nucleus. While cell‐penetrating peptides can improve delivery, proteolytic instability often limits efficacy. It is hypothesized that the bicyclization of arginine‐rich peptides would improve their stability and their ability to deliver oligonucleotides into the nucleus. Two methods were introduced for the synthesis of arginine‐rich bicyclic peptides using cysteine perfluoroarylation chemistry. Then, the bicyclic peptides were covalently linked to a phosphorodiamidate morpholino oligonucleotide (PMO) and assayed for exon skipping activity. The perfluoroaryl cyclic and bicyclic peptides improved PMO activity roughly 14‐fold over the unconjugated PMO. The bicyclic peptides exhibited increased proteolytic stability relative to the monocycle, demonstrating that perfluoroaryl bicyclic peptides are potent and stable delivery agents.
Halogen‐free intumescent flame‐retardant ethylene‐vinyl acetate copolymer system based on organic montmorillonite and graphene nanosheets
Authors: Wang Xuebao , Bi Bo , Liu Jiangwei , Yang Shousheng , Zhou Liang , Lu Lingang , Wang Yong , Xu Fan , Huang Run
Published: February 2018

Halogen‐containing flame retardants are not preferred for environmental reasons. Herein, a halogen‐free intumescent flame‐retardant ethylene‐vinyl acetate copolymer (EVA/IFR) system containing organic montmorillonite (OMMT) and graphene nanosheets (GNSs) is fabricated with well dispersion structure, enhanced thermal‐oxidative resistance at high temperature. Interestingly, the amount of residual chars from thermogravimetric analysis is increased to 12.7 wt % at 700 °C, the EVA/IFR composite containing both OMMT and GNSs exhibits the best flame retardancy with the lowest peak heat release rate value of 529.58 kW m−2, and the highest limited oxygen index value of 24.8%. The excellent flame retardancy is attributed to the formation of complete and compact protective char layer. Furthermore, the decreases of the mechanical properties caused by the addition of IFR are relieved and a high volume resistivity is maintained when combining OMMT and GNSs in the EVA/IFR system together. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46361.
Facile Synthesis of A 3D Flower‐Like Mesoporous Ni@C Composite Material for High‐Energy Aqueous Asymmetric Supercapacitors
Authors: Liu Song , An Cuihua , Zang Lei , Chang Xiaoya , Guo Huinan , Jiao Lifang , Wang Yijing
Published: February 2018

A 3D flower‐like mesoporous Ni@C composite material has been synthesized by using a facile and economical one‐pot hydrothermal method. This unique 3D flower‐like Ni@C composite, which exhibited a high surface area (522.4 m2 g−1), consisted of highly dispersed Ni nanoparticles on mesoporous carbon flakes. The effect of calcination temperature on the electrochemical performance of the Ni@C composite was systematically investigated. The optimized material (Ni@C 700) displayed high specific capacity (1306 F g−1 at 2 A g−1) and excellent cycling performance (96.7 % retention after 5000 cycles). Furthermore, an asymmetric supercapacitor (ASC) that contained Ni@C 700 as cathode and mesoporous carbon (MC) as anode demonstrated high energy density (60.4 W h kg−1 at a power density of 750 W kg−1).
Current and potential ecodesign integration in small and medium enterprises: Construction and related industries
Authors: Denac Matjaž , Obrecht Matevž , Radonjič Gregor
Published: February 2018

The ecodesign of products is becoming an important part of environmental and innovation policies in many sectors. The aim of this study was to understand how product ecodesign activities can be effectively introduced to stimulate step changes in small and medium enterprises (SMEs) in the construction and building sector, together with SMEs from related industrial sectors. Based on an interview study among Slovenian SMEs, the general level of managers’ awareness of how their products impact the environment and how they understand the concept of product ecodesign to provide potential measures for ecodesign implementation was investigated. The results showed the quantified aggregate of degrees of implementation related to individual ecodesign strategies based on life cycle phases and individual environmental aspects. The study revealed that the most frequently implemented criteria were maximizing product lifetime and ease of reuse, disassembly and recycling. The highest ecodesign implementation level was observed in the “design for use” phase.
Establishment and validation of a two‐step screening scheme for improved performance of serological screening of nasopharyngeal carcinoma
Authors: Li Tingdong , Guo Xiaoyi , Ji Mingfang , Li Fugui , Wang Han , Cheng Weimin , Chen Honglin , Ng Munhon , Ge Shengxiang , Yuan Yong , Xia Ningshao
Published: February 2018

Nasopharyngeal carcinoma (NPC), which is closely associated with Epstein–Barr virus (EBV), is one of the most prevalent cancers in southeast China. Most NPC patients are diagnosed at late stage due to inconspicuous symptoms at the early stage, and the prognosis of these patients is poor. The early diagnosis rate of NPC could be significantly increased by serological screening, but the positive predictive value (PPV) is relatively low. A simple two‐step serological screening scheme was established to improve the PPV of the screening strategy and was validated by a prospective cohort. Serum antibodies specific for EBNA1, Zta, Thymidine Kinase (TK), EAD, EAR, and VCA were detected by enzyme‐linked immunosorbent assay. The combination of EBNA1/IgA and VCA/IgA was used in the first step of screening, and anti‐early antigens (EAs) were used in the second step of screening. EAD/IgA was the most prominent marker in the second step of screening, and other anti‐EAs were complementary to EAD/IgA. As validated by a prospective cohort including 4200 participants, using the combination of EAD/IgA and TK/IgA in the second step decreased the number of high‐risk participants from 128 to 27, and increased the PPV from 4.69% to 18.52%, with only one very early‐stage case missed. The two‐step screening scheme provides a standardized approach for NPC screening with an improved PPV and may be used in future field studies. With this two‐step serological screening method, more people benefit from the screening program without increasing the need for fiberoptic endoscopy.