bluuebunny/crossref_metadata_2025 huggingface dataset:
Palladium‐Catalyzed Asymmetric Allylic Alkylations with Toluene Derivatives as Pronucleophiles
Authors: Mao Jianyou , Zhang Jiadi , Jiang Hui , Bellomo Ana , Zhang Mengnan , Gao Zidong , Dreher Spencer D. , Walsh Patrick J.
Published: January 2016

The first two highly enantioselective palladium‐catalyzed allylic alkylations with benzylic nucleophiles, activated with Cr(CO)3, have been developed. These methods enable the enantioselective synthesis of α‐2‐propenyl benzyl motifs, which are important scaffolds in natural products and pharmaceuticals. A variety of cyclic and acyclic allylic carbonates are competent electrophilic partners furnishing the products in excellent enantioselectivity (up to 99 % ee and 92 % yield). This approach was employed to prepare a nonsteroidal anti‐inflammatory drug analogue.
Solid‐State NMR of PEGylated Proteins
Authors: Ravera Enrico , Ciambellotti Silvia , Cerofolini Linda , Martelli Tommaso , Kozyreva Tatiana , Bernacchioni Caterina , Giuntini Stefano , Fragai Marco , Turano Paola , Luchinat Claudio
Published: January 2016

PEGylated proteins are widely used in biomedicine but, in spite of their importance, no atomic‐level information is available since they are generally resistant to structural characterization approaches. PEGylated proteins are shown here to yield highly resolved solid‐state NMR spectra, which allows assessment of the structural integrity of proteins when PEGylated for therapeutic or diagnostic use.
Apparent First‐Order Liquid–Liquid Transition with Pre‐transition Density Anomaly, in Water‐Rich Ideal Solutions
Authors: Zhao Zuofeng , Angell C. Austen
Published: January 2016

The striking increases in response functions observed during supercooling of pure water have been the source of much interest and controversy. Imminent divergences of compressibility etc. unfortunately cannot be confirmed due to pre‐emption by ice crystallization. Crystallization can be repressed by addition of second components, but these usually destroy the anomalies of interest. Here we study systems in which protic ionic liquid second components dissolve ideally in water, and ice formation is avoided without destroying the anomalies. We observe a major heat capacity spike during cooling, which is reversed during heating, and is apparently of first order. It occurs just before the glassy state is reached and is preceded by water‐like density anomalies. We propose that it is the much‐discussed liquid–liquid transition previously hidden by crystallization. Fast cooling should allow the important fluctuations/structures to be preserved in the glassy state for leisurely investigation.
Diastereodivergent Catalysis Using Modularly Designed Organocatalysts: Synthesis of both cis‐ and trans‐Fused Pyrano[2,3‐b]pyrans
Authors: Huang Huicai , Konda Swapna , Zhao John C.‐G.
Published: January 2016

Both enantiomers of cis‐ and trans‐fused 3,4,4a,8a‐tetrahydro‐2H,5H‐pyrano[2,3‐b]pyran‐7‐carboxylates have been obtained in high diastereoselectivities and enantioselectivities from the same starting materials using a tandem inverse‐electron‐demand hetero‐Diels–Alder/oxa‐Michael reaction catalyzed by modularly designed organocatalysts (MDOs). Diastereodivergence was achieved in these reactions through the direct control of the stereochemistry of the bridgehead atoms of the fused ring using new MDOs self‐assembled from both enantiomers of proline and cinchona alkaloid thiourea derivatives.
Fluorescent Detection of 2,4‐DNT and 2,4,6‐TNT in Aqueous Media by Using Simple Water‐Soluble Pyrene Derivatives
Authors: Kovalev Igor S. , Taniya Olga S. , Slovesnova Nataliya V. , Kim Grigory A. , Santra Sougata , Zyryanov Grigory V. , Kopchuk Dmitry S. , Majee Adinath , Charushin Valery N. , Chupakhin Oleg N.
Published: January 2016

Pyrene‐containing water‐soluble probes for the fluorescent detection of nitroaromatic compounds (NACs), such as explosive components (2,4‐DNT and 2,4,6‐TNT) and herbicides (2,4‐dinitrocresol, 2,4‐DNOC), in aqueous media are reported. In the probes, the introduction of surface‐active hydrophilic “heads” at the periphery of lipophilic (i.e., hydrophobic) pyrene “tails” resulted in the formation of highly fluorescent micelle‐like aggregates/pre‐associates in aqueous solutions at concentrations of ≤10−5 m. The enhanced fluorescence quenching of the herein reported architectures is achieved in the presence of ultra‐trace amounts of TNT or 2,4‐DNT with values of Stern–Volmer quenching constant close to 1×105 m−1 and a detection limit as low as 182 ppb. The most hydrophilic probes demonstrated higher response to 2,4‐DNT over TNT. Filter paper test strips impregnated with 1×10−5 m solutions of the probes were able to detect TNT, 2,4‐DNT, and other NACs at levels as low as 50 ppb in water.
Construction and evaluation of PHP‐based management and training system for electrical power laboratory
Authors: Yu Hongpeng , Xu He , Xu Yan , Li Zhen , Wang Peng , Wang Peiyuan
Published: January 2016

The online management and training of information for laboratories has rarely been discussed in the traditional education system design. However, it plays a vital role in informatization and automation of electrical power laboratory. Using PHP: Hypertext Preprocessor (PHP), we have designed and developed an online management and training environment targeted for electrical power laboratory. In this article, the Model‐View‐Controller (MVC) architecture cooperative designed for the management and training system modules was provided, and key steps of developing such modules using PHP were described. A questionnaire survey was conducted for students to use the system, and their attitudes toward the system were calculated and analyzed. Results showed that management and training system for electrical power laboratory can lead to preferable learning interest and outcome. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:371–381, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21715
Stent‐assisted coil embolization for the treatment of aneurysm involving a coronary bifurcation
Authors: Fede Alfredo , Reimers Bernhard , Saccà Salvatore
Published: January 2016

Coronary artery aneurysm (CAA) is an uncommon disease with high risks of complications including rupture and ischemia from embolic events or thrombosis, especially if associated with critical stenosis of the coronary artery. No consensus document or guidelines has been established regarding the optimal therapy for concomitant CAAs and acute coronary syndrome (ACS). Percutaneous catheter‐based treatments using only membrane‐covered stents have been described; however, only few reports of drug‐eluting stent (DES) and coil embolization for CAAs during ACS have been published to date. Therefore, we report a case of coronary artery disease with aneurysm and critical stenosis successfully treated with DES and coil embolization. © 2016 Wiley Periodicals, Inc.
Goose‐neck snare‐assisted transcatheter ASD closure: A safety procedure for large and complex ASDs
Authors: Butera Gianfranco , Lovin Nicusor , Paola Basile Domenica , Carminati Mario
Published: January 2016

Objective

To report on a new technique that increases the safety of percutaneous atrial septal defect (ASD) closure using a goose‐neck snare system.

Background

ASD transcatheter closure is a widespread procedure. However, in some cases, ASDs may be large and with soft rims. In these situation, a potential risk exists for device malposition or embolization.

Methods

When transesophageal echocardiography (TEE) evaluation and balloon sizing showed large defects with floppy rims the chosen Amplatzer device was implanted in a standard way. In large defects with floppy rims, before release a 5‐mm goose‐neck snare with its 4 Fr catheter was placed across the delivery cable and fixed to catch the screwing mechanism of implanted Amplatzer device. The delivery cable was unscrewed and the device reached its final position without any tension. If the position was considered satisfactory the device was released from the goose‐neck snare.

Results

Thirteen patients had a snare‐assisted ASD transcatheter closure. Median device size was 24 mm (range 14‐38 mm). Retrieval or repositioning of the device using the goose‐neck snare was performed in four cases: in three patients, because of device malposition after delivery cable release and in one patient, because of unsuitability of closure of a second significant defect. Furthermore, in two subjects with multiple ASDs, a second fenestration looked quite significant with the device still attached to the delivery cable while it appeared smaller after release.

Conclusions

Snare‐assisted Amplatzer ASD device placement is a new method for ASD percutaneous closure and adds safety to the procedure. © 2016 Wiley Periodicals, Inc.
Microvascular dysfunction in the immediate aftermath of chronic total coronary occlusion recanalization
Authors: Ladwiniec Andrew , Cunnington Michael S. , Rossington Jennifer , Thackray Simon , Alamgir Farquad , Hoye Angela
Published: January 2016

Objectives

The aim of this study was to compare microvascular resistance under both baseline and hyperemic conditions immediately after percutaneous coronary intervention (PCI) of a chronic total occlusion (CTO) with an unobstructed reference vessel in the same patient

Background

Microvascular dysfunction has been reported to be prevalent immediately after CTO PCI. However, previous studies have not made comparison with a reference vessel. Patients with a CTO may have global microvascular and/or endothelial dysfunction, making comparison with established normal values misleading.

Methods

After successful CTO PCI in 21 consecutive patients, coronary pressure and flow velocity were measured at baseline and hyperemia in distal segments of the CTO/target vessel and an unobstructed reference vessel. Hemodynamics including hyperemic microvascular resistance (HMR), basal microvascular resistance (BMR), and instantaneous minimal microvascular resistance at baseline and hyperemia were calculated and compared between reference and target/CTO vessels.

Results

After CTO PCI, BMR was reduced in the target/CTO vessel compared with the reference vessel: 3.58 mm Hg/cm/s vs 4.94 mm Hg/cm/s, difference −1.36 mm Hg/cm/s (−2.33 to −0.39, p = 0.008). We did not detect a difference in HMR: 1.82 mm Hg/cm/s vs 2.01 mm Hg/cm/s, difference −0.20 (−0.78 to 0.39, p = 0.49). Instantaneous minimal microvascular resistance correlated strongly with the length of stented segment at baseline (r = 0.63, p = 0.005) and hyperemia (r = 0.68, p = 0.002).

Conclusions

BMR is reduced in a recanalized CTO in the immediate aftermath of PCI compared to an unobstructed reference vessel; however, HMR appears to be preserved. A longer stented segment is associated with increased microvascular resistance. © 2016 Wiley Periodicals, Inc.
Everolimus‐eluting bioresorbable vascular scaffolds versus second generation drug‐eluting stents for percutaneous treatment of chronic total coronary occlusions: Technical and procedural outcomes from the GHOST‐CTO registry
Authors: La Manna Alessio , Chisari Alberto , Giacchi Giuseppe , Capodanno Davide , Longo Giovanni , Di Silvestro Michele , Capranzano Piera , Tamburino Corrado
Published: January 2016

Objectives

We aimed at comparing the acute performance of bioresorbable scaffolds (BRS) and second‐generation drug‐eluting stents (DES) for the treatment of chronic total occlusions (CTO).

Background

There is a lack of knowledge regarding the use of BRS in CTO.

Methods

Key outcomes of interest were technical and procedural success. Technical success was defined as successful stent delivery and implantation, postprocedural residual diameter stenosis <30% within the treated segment, and restoration of thrombolysis in myocardial infarction (TIMI) grade 3 flow. Procedural success was defined as technical success with no in‐hospital major adverse cardiac events (MACE).

Results

Between May 2013 and May 2014, 32 patients underwent CTO percutaneous coronary intervention (PCI) with the Absorb BRS (Abbott Vascular, Santa Clara, CA) and were compared with a historical control group of 54 patients who had undergone CTO PCI with second‐generation DES. Baseline characteristics were similar between the BRS and DES groups, with the exception of a larger mean reference vessel diameter in the BRS group (2.92 ± 0.34 vs 2.50 ± 0.68; P < 0.001). Technical success was less likely to be achieved in the BRS group compared with the DES group (78.1% vs 96.3%, P = 0.012). Procedural success rates were 78.1% and 94.4% in the BRS and DES group, respectively (P = 0.035).

Conclusions

Compared with second‐generation DES for PCI of CTO lesions, BRS were associated with lower rates of technical and procedural success. © 2016 Wiley Periodicals, Inc.
Experimental Characterization of CCH(ads) and CCH2(ads) during the Thermal Decomposition of Methane and Ethylene on Ru(0 0 0 1)
Authors: Kirsch Harald , Tong Yujin , Campen Richard Kramer
Published: January 2016

Catalytic dissociation of hydrocarbons on transition‐metal substrates plays a critical role in a variety of industrially important chemistry. Despite this importance, knowledge of the dissociation pathways of even the simplest hydrocarbons on single‐metal crystal surfaces in ultrahigh vacuum (UHV) is incomplete. In this study the temperature‐induced decomposition of CH4 and C2H4 on Ru(0 0 0 1) is characterized using high‐resolution vibrational spectroscopy of all interfacial CH stretch modes. By investigating both decomposition pathways concurrently we are able to unambiguously identify for the first time CCH2(ads) during the decomposition of C2H4, and CH2(ads), CCH3(ads), and CCH(ads) during the decomposition of CH4. Following this identification, the thermal stability of all species is described and also how this stability depends on carbon and hydrogen surface coverage. Although collected in UHV, these observations suggest under‐appreciated constraints on the chemistry of CH4 and C2H4 in high‐pressure applications.
Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol
Authors: Park Sun‐Young , Lee Young Min , Kwac Kijeong , Jung Yousung , Kwon Oh‐Hoon
Published: January 2016

Alcohols, the simplest amphiprotic organic compounds, can exhibit either acidic or basic behavior by donating or accepting a proton. In this study, proton dissociation of a model photoacid in solution is explored by using time‐resolved spectroscopy, revealing quantitatively for the first time that alcohol acts as a Brønsted base because of H‐bonded cluster formation to enhance the reactivity. The protonated alcohol cluster, the alkyl oxonium ion, can be regarded as a key reaction intermediate in the well‐established alcohol dehydration reaction. This finding signifies, as in water, the cooperativity of protic solvent molecules to facilitate nonaqueous acid–base reactions.
Investigation into the Sensing Process of High‐Performance H2S Sensors Based on Polymer Transistors
Authors: Lv Aifeng , Wang Ming , Wang Yandong , Bo Zhishan , Chi Lifeng
Published: January 2016

Herein a H2S sensor based on a polymer field‐effect transistor is reported and the sensor shows high sensitivity, excellent selectivity, fast response, and good operational stability. A concentration as low as 1 ppb H2S is detectable, which is to date the most sensitive H2S sensor based on organic semiconducting film. Thinning the thickness of active layer does not necessarily improve the sensitivity, but rather leads to the reduction of performance if the thickness is too low. Further analysis proposes a mechanism that the changing rate of absorption and desorption of H2S molecules is different when the thickness of active layer varies, indicating the necessity for thickness optimization.
Continuous‐Flow Microwave Synthesis of Metal–Organic Frameworks: A Highly Efficient Method for Large‐Scale Production
Authors: Taddei Marco , Steitz Daniel Antti , van Bokhoven Jeroen Anton , Ranocchiari Marco
Published: January 2016

Metal–organic frameworks are having a tremendous impact on novel strategic applications, with prospective employment in industrially relevant processes. The development of such processes is strictly dependent on the ability to generate materials with high yield efficiency and production rate. We report a versatile and highly efficient method for synthesis of metal–organic frameworks in large quantities using continuous flow processing under microwave irradiation. Benchmark materials such as UiO‐66, MIL‐53(Al), and HKUST‐1 were obtained with remarkable mass, space–time yields, and often using stoichiometric amounts of reactants. In the case of UiO‐66 and MIL‐53(Al), we attained unprecedented space–time yields far greater than those reported previously. All of the syntheses were successfully extended to multi‐gram high quality products in a matter of minutes, proving the effectiveness of continuous flow microwave technology for the large scale production of metal–organic frameworks.
Enantioselective Total Synthesis of (+)‐Neostenine
Authors: Nakayama Yasuaki , Maeda Yuichiro , Kotatsu Masayuki , Sekiya Ruriko , Ichiki Masato , Sato Takaaki , Chida Noritaka
Published: January 2016

A chirality transfer approach using acyclic polyol intermediates for the synthesis of (+)‐neostenine (1) has been developed. The sequential Overman/Claisen rearrangement of an allylic 1,2‐diol was especially useful, installing two contiguous stereocenters with complete diastereoselectivity in a one‐pot sequence. The SmI2‐mediated cyclization and the subsequent chemoselective reduction of a lactam moiety accomplished the first enantioselective total synthesis of (+)‐neostenine (1).
Entwicklungsbegleitende Ökobilanzierung von Recyclingprozessen
Authors: Lindner Jan Paul , Gehring Florian , Albrecht Stefan , Krieg Hannes , Leistner Philip
Published: January 2016

Die Gewinnung stofflicher Ressourcen aus Reststoffen kann einen wichtigen Beitrag zur Ressourcenschonung leisten. Im Rahmen des Projekts Molecular Sorting werden Recyclingverfahren zur Erschließung hochwertiger Stoffströme erforscht mit dem Ziel einer öko‐ und ressourceneffizienten Nutzung von Reststoffen. Die Methode der Ökobilanz ist dabei integraler Bestandteil. Zukünftige Entwicklungen spielen bei der Bewertung der ökologischen Nachhaltigkeitsaspekte eine große Rolle, da neben der Technologie auch die Energiebereitstellung, alternative Technologien oder die Art und Gewinnung der Ressourcen in die ganzheitliche Bewertung miteinfließen. Durch eine entwicklungsbegleitende Ökobilanz werden ökologische Risiken frühzeitig erkannt und können systematisch gering gehalten werden.
Additive Manufacturing in Fluid Process Engineering
Authors: Femmer Tim , Flack Ina , Wessling Matthias
Published: January 2016

Additive manufacturing describes technologies that translate virtual computer‐aided design data into physical models in a fast process. While industries such as automotive and aerospace adopt this manufacturing technique rapidly, it is little applied within process engineering. Additive manufacturing offers freedom of design which gives access to novel shapes and geometries with fast production times. This review analyses the most important layer fabrication principles first and shows applications of additive manufacturing in fluid process engineering second. The review focuses on applications where liquids and gases are involved and it showcases the potential of additive manufacturing within process engineering of functional devices. Examples of current research projects show the potential of the technology for advances process engineering.
Highly Efficient Oxygen and Hydrogen Electrocatalytic Activities of Self‐Morphogenic Nanoporous Carbon, Nitrogen Architectures
Authors: Sakaushi Ken , Uosaki Kohei
Published: January 2016

Designing highly functional materials based on abundant elements is an important challenge. It would lead to a leap for energy conversion technology if a system comprising affordable material could work as electrocatalyst for important reactions in electrochemical energy storage and conversion and fuel production. This report shows simple nitrile chemistry as a new strategy to obtain nanoporous C,N architectures (npCNAs) with high activities for both the oxygen reduction reaction (ORR) and the hydrogen evolution reaction (HER). The key is to control both morphology and chemical structure of the catalyst. The npCNAs showed the distinct four‐electron process in H2SO4 solution with a high activity of 7.7 mA mgcat−1 and an exchange current density (J0) of 2.81×10−10 A cm−2geo (Tafel slope=ca. 120 mV dec−1) for the ORR and at the same time an enhanced HER activity with J0=1.454×10−5 A cm−2geo.
Steric Effects Govern the Photoactivation of Phytochromes
Authors: Falklöf Olle , Durbeej Bo
Published: January 2016

Phytochromes constitute a superfamily of photoreceptor proteins existing in two forms that absorb red (Pr) and far‐red (Pfr) light. Although it is well‐known that the conversion of Pr into Pfr (the biologically active form) is triggered by a Z→E photoisomerization of the linear tetrapyrrole chromophore, direct evidence is scarce as to why this reaction always occurs at the methine bridge between pyrrole rings C and D. Here, we present hybrid quantum mechanics/molecular mechanics calculations based on a high‐resolution Pr crystal structure of Deinococcus radiodurans bacteriophytochrome to investigate the competition between all possible photoisomerizations at the three different (AB, BC and CD) methine bridges. The results demonstrate that steric interactions with the protein are a key discriminator between the different reaction channels. In particular, it is found that such interactions render photoisomerizations at the AB and BC bridges much less probable than photoisomerization at the CD bridge.
Micromachining Using Soft X‐Rays from Laser‐Produced Xe Plasma
Authors: AMANO SHO , INOUE TOMOAKI , MIYAMOTO SHUJI
Published: January 2016

Micromachining of poly(tetrafluoroethylene) (Teflon) and poly(methyl methacrylate) (PMMA) samples was carried out using soft X‐rays from a laser‐produced Xe plasma source, which we developed. In the Teflon sample, the contact angle with a water droplet on a modified surface increased from 90° to 110° as a result of irradiation without a mirror or mask, while the angle decreased to 50° when using irradiation with them. Scanning electron microscopy showed numerous micro‐protuberances and a masked pattern with micro‐concavities on each sample surface. These results suggested that a change to the contact angle was caused by the microstructures on the Teflon surface. We succeeded in controlling the wettability of the Teflon surface, from hydrophobic to hydrophilic, by micromachining using laser plasma X‐rays. In the PMMA sample, the etching rate was investigated with irradiation using a large number of pulses (192,000 pulses) and a low power density of 8 × 104 W/cm2. The etching rate was calculated to be 5 pm/pulse. This was judged to be due only to photo‐etching without any thermal effects. We demonstrated a pure photo‐etching depth of about 1 μm.
Maximization of EV Tour Points: The Problem and a Solution
Authors: SEKOZAWA TERUJI , YAMAMOTO SUSUMU , MASUDA KAZUAKI
Published: January 2016

This paper focuses on route optimization for maximization of the number of points visited by an electric vehicle (EV) in a tour beginning and ending at the same point while taking into consideration the battery characteristics and capacity limit. In considering EV range insufficiency as related to regenerative braking and the battery capacity limit, we define the maximum‐node‐touring problem as maximizing the number of tour destinations and formalize the problem on this basis. The problem as considered in this paper also includes the changes in route optimization induced by the relationship between the battery capacity limit and the residual charge. An example of this is the situation in which energy regeneration is insufficient because of reaching the fully charged state and more destinations can be visited by changing the tour route in such a way that achieves more efficient energy use. Another example is the situation in which changing the order of certain destinations in the tour induces a change in the cost for every subsequent interval between destinations. We propose a new method to efficiently solve the tour point maximization problem having the above‐mentioned characteristics.
Effect of Grounding Resistance Connected to Surge Arresters in Power Distribution Lines on Lightning Surge Behavior Observed in Customer's Equipment
Authors: HIDAKA TETSUYA , SHIOTA KATSUSHI , ISHIMOTO KAZUYUKI , ASAKAWA AKIRA
Published: January 2016

In Japan, electric power companies have been spending large amounts of money on the construction costs and maintenance costs of low grounding resistances connected to surge arresters (Arrs) that are basically maintained below 30 Ω. In a recent study, it has been clarified that the rate of protection against direct lightning hits on distribution lines with an overhead ground wire (GW) hardly decreases, even if the grounding resistance of Arrs is high. However the installation of Arrs on a pole where a pole transformer (Tr) is mounted has not been considered, and in the case of a high grounding resistance, the lightning surge behavior observed in the customer's equipment has not yet been clarified. To examine the grounding resistance of Arrs, it is necessary to understand such behavior in the case in which the grounding resistance of Arrs is varied. In this paper, we clarified the relationship between the grounding resistance connected to Arrs and lightning surge behavior in customer's equipment. The result shows that the grounding resistance of Arrs installed on a pole with a Tr can be increased to some extent without decreasing the lightning protection level of the customer's equipment by the installation of a GW and the shortening of the interval between concrete poles with Arrs. A reduction in the cost of grounding construction can be expected.
A Next‐Generation Distribution Automation System Using IEC 61850 GOOSE and Section Switches with Sensors
Authors: AMAU TORU , KOJIMA KAZUHIRO , SAKA YASUTAKA , SAIKI YUICHI , OTANI TETSUO , NISHIWAKI KOUICHI , AOKI MUTSUMI , UKAI HIROYUKI
Published: January 2016

More and more dispersed power sources will be introduced to achieve a low‐carbon society. However, many problems may occur as a result of excessive introduction in the current power system. For example, delays or failures of fault detection may occur due to a decline in protective relay sensitivity. This paper proposes a new system of protective relays for distribution lines using section switches with sensors to solve the problem. In addition, experimental results on the proposed system composed of Intelligent Electronic Devices based on IEC 61850 are presented.
Evaluation of Inductive Contactless Power Transfer Outlet with Coaxial Coreless Transformer
Authors: OJIKA SATOSHI , MIURA YUSHI , ISE TOSHIFUMI
Published: January 2016

A contactless outlet for dc distribution systems is proposed. It uses an inductive contactless power transfer circuit with a series/parallel compensation circuit to prevent voltage fluctuation. However, the output voltage of the circuit rises in light load conditions. In this paper, the main circuit and control method for reducing the rise in output voltage and a method of estimating the output voltage are presented. The proposed circuit and methods were verified and evaluated experimentally using feedback control.
Optimal Weekly Operation Scheduling of Pumped Storage Hydropower Plant Considering Optimal Hot Reserve Capacity in a Power System with a Large Penetration of Photovoltaic Generation
Authors: AIHARA RYOTA , YOKOYAMA AKIHIKO
Published: January 2016

In recent years, a large amount of photovoltaic (PV) generation capacity has been installed in power systems. However, the power output from the PVs is random and intermittent in nature. Therefore, PV generation poses many challenges to power system operation. To estimate the impact of these issues on power system operation, we propose an optimal weekly demand and supply simulation method considering large penetration of PV generation. In this paper, an operation scheduling method considering optimal hot reserve capacity is studied. The effectiveness of the proposed method is shown by using Monte Carlo simulation.
The real‐world evidence of heart failure: findings from 41 413 patients of the ARNO database
Authors: Maggioni Aldo P. , Orso Francesco , Calabria Silvia , Rossi Elisa , Cinconze Elisa , Baldasseroni Samuele , Martini Nello ,   on behalf of the ARNO Observatory
Published: January 2016

Aims

Patients with heart failure (HF) randomized in controlled trials are generally selected and do not fully represent the ‘real world’. The purpose of this study is to better describe the characteristics of HF by analysing administrative data of a population of nearly 2 500 000 subjects.

Methods and results

Data came from the ARNO Observatory including inhabitants of five Local Health Units of the Italian National Health Service (INHS). Patients were selected when discharged for HF (1 January 2008–31 December 2012) and prescribed at least one HF treatment. Clinical characteristics, pharmacological treatments, rehospitalization, and direct costs for the INHS were described during 1‐year follow‐up (FU). Of the 2 456 739 subjects included in the database, 54 059 (2.2%) were hospitalized for HF: 41 413 were discharged alive and prescribed HF treatments. Mean age was 78 ± 11 years and 51.4% were females. Just 26.6% were managed in a cardiology setting. The most frequent co‐morbidities were diabetes (30.7%), COPD (30.5%), and depression (21%). ACE inhibitors/ARBs, beta‐blockers, and mineralocorticoid antagonists were prescribed in 65.8, 49.7, and 42.1% of patients, respectively. During 1‐year FU, at least one rehospitalization occurred in 56.6% of patients, 49% of them due to non‐cardiovascular causes. The direct cost per patient per year to the INHS was €11 867, of which 76% was related to hospitalizations.

Conclusions

Real‐world evidence provides a description of patient characteristics and treatment patterns that are different from those reported by randomized clinical trials. Costs for the INHS are mainly driven by hospitalizations, which are often due to non‐cardiovascular reasons.
Iodide‐Promoted Dehydrogenation of Formic Acid on a Rhodium Complex
Authors: Wang Zhijun , Lu Sheng‐Mei , Wu Jianjun , Li Can , Xiao Jianliang
Published: January 2016

Efficient and simple catalyst systems for dehydrogenation of formic acid (FA) to produce hydrogen are always desirable. In this work, the catalytic dehydrogenation of FA to H2 and CO2 by using the readily available [RhCp*Cl2]2 was found to be accelerated simply by the addition of halide anions, iodide being the most effective. At 60 °C, with [RhCp*Cl2]2 in azeotropic FA and triethylamine (TEA), the initial turnover frequency of dehydrogenation in the presence of I– (4375 h–1) is seven times as high as that of the reaction without additive (625 h–1). Preliminary mechanistic studies suggest that the dehydrogenation is turnover‐limited by the hydride‐formation step, which could be facilitated by the presence of I–.
Lanthanide–Organic Frameworks Constructed from an Unsymmetrical Tricarboxylate for Selective Gas Adsorption and Small‐Molecule Sensing
Authors: Chen Feiyan , Ling Yajing , Song Chengling , He Yabing , Lan Youzhao , Feng Yunlong
Published: January 2016

By using the new unsymmetrical tricarboxylate ligand 5‐(6‐carboxynaphthalen‐2‐yl)isophthalic acid (H3L), three lanthanide–organic frameworks, [LnL(H2O)2]·DMF·H2O [Ln = Eu (1), Tb (2), and Ho (3); DMF = N,N‐dimethylformamide], have been synthesized solvothermally and characterized by single‐crystal X‐ray diffraction, powder X‐ray diffraction, thermogravimetric analysis (TGA), FTIR spectroscopy, and elemental analysis. The single‐crystal X‐ray diffraction analysis showed that the three metal–organic frameworks (MOFs) are isostructural and display 3D networks with the (3,6)‐connected flu‐type topology. Furthermore, the gas adsorption and photoluminescence properties of the three MOFs were investigated. The compounds exhibited selective adsorption toward CO2 over CH4 at ambient temperature and different luminescence responses to small molecules, especially nitrobenzene.
A Systematic Study on the Prep­aration and Hydrogen Storage of Zeolite 13X‐Templated Microporous Carbons
Authors: Yang Zhuxian , Xiong Wei , Wang Jinbo , Zhu Yanqiu , Xia Yongde
Published: January 2016

A systematic study on chemical vapour deposition (CVD)‐based synthesis strategies (single CVD process, double CVD process and a combination of liquid impregnation and a CVD process) for the nanocasting of zeolite‐templated porous carbon materials with commercially available zeolite 13X as hard template and ethylene, furfuryl alcohol, acetonitrile and/or vinyl cyanide as carbon precursor is presented. The results indicated that the combination of liquid impregnation and CVD is superior to the single or the double CVD processes in producing carbon materials with high surface area, high pore volume and high microporosity. The combination of liquid impregnation with furfuryl alcohol and CVD with ethylene generates carbon materials with the highest surface area of 2841 m2/g, a pore volume of 1.54 cm3/g and a hydrogen‐uptake capacity of 6.3 wt.‐% (at –196 °C and 20 bar). Under the studied conditions, the porous carbon materials exhibit variable structural ordering and tuneable textural properties with surface areas of 1600–2850 m2/g, pore volumes of 1.0–1.8 cm3/g and hydrogen‐uptake capacities in the range of 3.4–6.3 wt.‐% (at –196 °C and 20 bar). Notably, linear relationships between the hydrogen‐uptake capacity and the total surface area, the micropore volume and the micropore surface area were found for the studied porous carbons, and this implies an important role of the total surface area, the micropore volume and the micropore surface area in the hydrogen adsorption.
Cyanoscorpionate Ligands: Agostic Interactions in a Series of Metal Complexes Containing the Tris(4‐cyano‐3‐phenylpyrazolyl)borate and Bis(4‐cyano‐3‐phenylpyrazolyl)borate Ligands
Authors: Kadel Lava R. , Bullinger John R. , Baum Robert R. , Moore Curtis E. , Tierney David L. , Eichhorn David M.
Published: January 2016

Scorpionate chemistry has long featured sandwich complexes with two trispyrazolylborate (Tp) or two bispyrazolylborate (Bp) ligands coordinated to a transition metal. Less common are complexes in which one Tp and one Bp ligand are coordinated to the metal. We report herein five such complexes of NiII, MnII, CoII, or FeII involving Tp and Bp ligands comprising either 3‐phenyl‐4‐cyanopyrazole or 3‐phenylpyrazole, as well as a related CoII complex with two Tp ligands, one of which is coordinated in a κ2 fashion. All complexes feature an agostic interaction with a B–H hydrogen atom.
SnO2@N‐Doped Carbon Hollow Nanoclusters for Advanced Lithium‐Ion Battery Anodes
Authors: Li Lu , Zhang Lingyu , Chai Fang , Wang Tingting , Li Zilu , Xie Haiming , Wang Chungang , Su Zhongmin
Published: January 2016

A facile method to synthesize novel monodispersed SnO2@N‐doped carbon hollow nanoclusters as a high‐performance anode material for lithium‐ion batteries was explored. The uniqueness of this structure results from the large amount of ultrafine small SnO2 nanoparticles, the hollow interior space, and the continuous N‐doped carbon shells, which successfully buffer problems associated with huge volume changes and guarantee electrical connectivity. All of these features make the nanocomposite well fitted for lithium storage. As a result, the electrochemical performance of monodispersed SnO2@N‐doped carbon hollow nanoclusters as an anode in lithium‐ion batteries is significantly improved, as it shows high initial discharge and charge capacities of 1572 and 1003 mA h g–1, respectively. Importantly, nearly 100 % discharge/charge efficiency is maintained during 100 consecutive cycles with a specific capacity above 910 mA h g–1.
Enhanced Photocatalytic Hydrogen Production by Adsorption of an [FeFe]‐Hydrogenase Subunit Mimic on Self‐Assembled Membranes
Authors: Troppmann Stefan , Brandes Eva , Motschmann Hubert , Li Fei , Wang Mei , Sun Licheng , König Burkhard
Published: January 2016

Self‐assembled vesicles with membrane‐embedded or adsorbed ruthenium polypyridine complexes were further functionalized by the adsorption of an [FeFe]‐hydrogenase subunit mimic to the membrane interface enhancing the photocatalytic hydrogen production in water under acidic conditions. The resulting two‐dimensional membrane assembly places the photosensitizer and hydrogen‐evolving diiron complex in close proximity resulting in a six‐ to twelvefold increase in the turnover number as compared to the same system in the absence of lipid membranes. The interface assembly then enables the combining of hydrophilic and hydrophobic catalytic entities for light‐driven proton reduction in acidic water and provides a flexible method for membrane functionalization.
Enantioselective Reduction of Ethyl 3‐Oxo‐5‐phenylpentanoate with Whole‐Cell Biocatalysts
Authors: Zadlo Anna , Schrittwieser Joerg H. , Koszelewski Dominik , Kroutil Wolfgang , Ostaszewski Ryszard
Published: January 2016

The biocatalytic stereoselective synthesis of a sterically demanding sec‐alcohol (ethyl 3‐hydroxy‐5‐phenylpentanoate) was investigated by starting from the corresponding prochiral ketone. Screening of a collection of microorganisms led to the identification of stereocomplementary catalysts suitable for accessing both enantiomers of the target compound. Cofactors, recycling systems and 2‐propanol amounts were optimized for selected biocatalysts, leading to excellent enantiomeric excesses for the obtained hydroxy ester with up to 99 % ee. The utility of the identified strains was showcased by using preparative‐scale reactions.
Enantioseparation of citalopram analogues with sulfated β‐cyclodextrin by capillary electrophoresis
Authors: Wang Yadi , Zhang Shusheng , Breitbach Zachary S. , Petersen Hans , Ellegaard Peter , Armstrong Daniel W.
Published: January 2016

Capillary electrophoresis methods were developed for the enantiomeric separation of 27 citalopram analogues. Sulfated β‐cyclodextrin was the most broadly selective and useful chiral selector. The separations of most of the citalopram analogue compounds reported in this work have not been reported previously. Excellent enantiomeric separations were obtained for 26 out of 27 compounds, and most of the separations were achieved within 10 min. The effects of chemical parameters such as chiral selector types, buffer types, chiral selector and buffer concentrations, buffer pH and organic modifiers on the separation were investigated. The influence of analyte structure on separation also was examined and discussed.
Influence of Lithium on the Sintering Behavior and Electrical Properties of Ce0.8Gd0.2O1.9 for Intermediate‐Temperature Solid Oxide Fuel Cells
Authors: Accardo Grazia , Ferone Claudio , Cioffi Raffaele
Published: January 2016

The main purpose of this work is to verify the influence of the addition of lithium on the densification and electrical conductivity of a gadolinium‐doped ceria electrolyte. The lithium dopant was added directly during the sol–gel synthesis without a grinding step or the use of a dispersant solution. Electrolytes were prepared from powders and sintered at 1250 and 1500 °C. The characterization techniques used were XRD, FTIR spectroscopy, SEM, BET analysis, and electrochemical impedance spectroscopy for ionic conductivity. The densification achieved was >97 and >99 % of the theoretical density at sintering temperatures of 1250 and 1500 °C, respectively, by adding 2 mol % of lithium. The densification of gadolinium‐doped ceria is caused by lithium deposition in the grain boundaries, which reduces structural imperfections. The ionic conductivity of lithium‐doped pellets sintered at 1250 °C is the same as that of pure ones sintered at 1500 °C with a maximum value of 5.2×10−2 S cm−1 at 800 °C. Lithium addition is an effective strategy to reduce the sintering temperature and retain high conductivity values.
Dyeing of modified cotton fiber with natural Terminalia arjuna dye: Optimization of dyeing parameters using response surface methodology
Authors: Sinha Keka , Aikat Kaustav , Das Papita , Datta Siddhartha
Published: January 2016

The study demonstrated that the natural yellow‐brown colorant extracted from the bark of Terminalia arjuna may be an alternative, sources of synthetic dyes for the potential dyeing of double premordanted cotton fiber. Parameters that influence the dye uptake as well as surface color strength of dyed cotton were studied in batch experiments and optimized by using response surface methodology. The results showed that the maximum color strength of dyed cotton was achieved to be 17.20 ± 0.11 under the optimum conditions of mordant concentration (3.75% owf), dye concentration (8.9%), pH of the dye bath (8.7), temperature (69.34°C), and time (82.17 min), respectively. The CIELab values in the color space diagram showed a good improvement of color quality of natural polymers treated by tannic acid‐alum mordant. Fourier Transforms Infrared spectra and Scanning Electron Microscope observation have been used to characterize the changes induced by arjun dyeing. Good and durable fastness properties confirm its application in the textile industries. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 719–728, 2016
Organ-specific accumulation, transportation, and elimination of methylmercury and inorganic mercury in a low Hg accumulating fish
Authors: Peng Xiaoyan , Liu Fengjie , Wang Wen-Xiong
Published: January 2016

Low mercury (Hg) concentrations down to several nanograms Hg per gram of wet tissue are documented in certain fish species such as herbivorous fish, and the underlying mechanisms remain speculative. In the present study, bioaccumulation and depuration patterns of inorganic Hg(II) and methylmercury (MeHg) in a herbivorous rabbitfish Siganus canaliculatus were investigated at organ and subcellular levels following waterborne or dietary exposures. The results showed that the efflux rate constants of Hg(II) and MeHg were 0.104 d−1 and 0.024 d−1, respectively, and are probably the highest rate constants recorded in fish thus far. The dietary MeHg assimilation efficiency (68%) was much lower than those in other fish species (∼90%). The predominant distribution of MeHg in fish muscle was attributable to negligible elimination of MeHg from muscle (< 0) and efficient elimination of MeHg from gills (0.12 d−1), liver (0.17 d−1), and intestine (0.20 d−1), as well as efficient transportation of MeHg from other organs into muscle. In contrast, Hg(II) was much more slowly distributed into muscle but was efficiently eliminated by the intestine (0.13 d−1). Subcellular distribution indicated that some specific membrane proteins in muscle were the primary binding pools for MeHg, and both metallothionein-like proteins and Hg-rich granules were the important components in eliminating both MeHg and Hg(II). Overall, the present study's results suggest that the low tissue Hg concentration in the rabbitfish was partly explained by its unique biokinetics. Environ Toxicol Chem 2016;35:2074–2083. © 2016 SETAC
Predicting beneficial effects of atomoxetine and citalopram on response inhibition in Parkinson's disease with clinical and neuroimaging measures
Authors: Ye Zheng , Rae Charlotte L. , Nombela Cristina , Ham Timothy , Rittman Timothy , Jones Peter Simon , Rodríguez Patricia Vázquez , Coyle‐Gilchrist Ian , Regenthal Ralf , Altena Ellemarije , Housden Charlotte R. , Maxwell Helen , Sahakian Barbara J. , Barker Roger A. , Robbins Trevor W. , Rowe James B.
Published: January 2016

Recent studies indicate that selective noradrenergic (atomoxetine) and serotonergic (citalopram) reuptake inhibitors may improve response inhibition in selected patients with Parkinson's disease, restoring behavioral performance and brain activity. We reassessed the behavioral efficacy of these drugs in a larger cohort and developed predictive models to identify patient responders. We used a double‐blind randomized three‐way crossover design to investigate stopping efficiency in 34 patients with idiopathic Parkinson's disease after 40 mg atomoxetine, 30 mg citalopram, or placebo. Diffusion‐weighted and functional imaging measured microstructural properties and regional brain activations, respectively. We confirmed that Parkinson's disease impairs response inhibition. Overall, drug effects on response inhibition varied substantially across patients at both behavioral and brain activity levels. We therefore built binary classifiers with leave‐one‐out cross‐validation (LOOCV) to predict patients’ responses in terms of improved stopping efficiency. We identified two optimal models: (1) a “clinical” model that predicted the response of an individual patient with 77–79% accuracy for atomoxetine and citalopram, using clinically available information including age, cognitive status, and levodopa equivalent dose, and a simple diffusion‐weighted imaging scan; and (2) a “mechanistic” model that explained the behavioral response with 85% accuracy for each drug, using drug‐induced changes of brain activations in the striatum and presupplementary motor area from functional imaging. These data support growing evidence for the role of noradrenaline and serotonin in inhibitory control. Although noradrenergic and serotonergic drugs have highly variable effects in patients with Parkinson's disease, the individual patient's response to each drug can be predicted using a pattern of clinical and neuroimaging features. Hum Brain Mapp 37:1026–1037, 2016. © 2016 Wiley Periodicals, Inc.
Response‐Scale Heterogeneity in the EQ‐5D
Authors: Knott Rachel J. , Black Nicole , Hollingsworth Bruce , Lorgelly Paula K.
Published: January 2016

This paper discusses two types of response‐scale heterogeneity, which may impact upon the EQ‐5D. Response‐scale heterogeneity in reporting occurs when individuals systematically differ in their use of response scales when responding to self‐assessments. This type of heterogeneity is widely observed in relation to other self‐assessed measures but is often overlooked with regard to the EQ‐5D. Analogous to this, preference elicitation involving the EQ‐5D could be subject to a similar type of heterogeneity, where variations across respondents may occur in the interpretations of the levels (response categories) being valued. This response‐scale heterogeneity in preference elicitation may differ from variations in preferences for health states, which have been observed in the literature. This paper explores what these forms of response‐scale heterogeneity may mean for the EQ‐5D and the potential implications for researchers who rely on the instrument as a measure of health and quality of life. We identify situations where they are likely to be problematic and present potential avenues for overcoming these issues. Copyright © 2016 John Wiley & Sons, Ltd.