bluuebunny/crossref_metadata_2025_split huggingface dataset:
Copper‐Catalyzed Ring‐Opening Silylation of Benzofurans with Disilane
Authors: Saito Hayate , Nogi Keisuke , Yorimitsu Hideki 
Published: July 2018

AbstractThe catalytic ring‐opening silylation of benzofurans has been achieved by employing a copper catalyst and 1,2‐di‐tert‐butoxy‐1,1,2,2‐tetramethyldisilane, which could be easily prepared and handled without special care. The reaction afforded (E)‐o‐(β‐silylvinyl)phenols with complete stereoselectivity. The scope of benzofurans was well explored, and functional groups such as chloro, fluoro, and acetal were compatible with the reaction conditions. DFT calculations were used to determine the energy profile of the silylation and the origin of the stereoselectivity. The silylated product was proven to be useful as a synthetic intermediate and subsequently underwent transformations such as Pd‐catalyzed cross‐coupling with iodoarenes.
Sulfur‐Center‐Involved Photocatalyzed Reactions
Authors: Wang Yuhong , Li Yiming , Jiang Xuefeng 
Published: July 2018

AbstractSulfur‐containing compounds (SCCs) exist widely in, for example, natural sources, pharmaceuticals, materials, and foods. Their multifarious functions have stimulated scientists to construct them in greener and more efficient ways and further exploit their properties. Different photosensitizers with sulfur atoms have been developed and exploited. Furthermore, SCCs display excellent ability in hydrogen‐atom‐transfer reactions. In addition to acting as catalysts, SCCs can also be efficiently transformed under visible‐light‐promoted conditions. Bond dissociation and oxygenation reactions that involve sulfur centers are emphasized here.
Recent Progress in (Dynamic) Kinetic Resolution Catalyzed by N‐Heterocyclic Carbenes
Authors: Chen Shihao , Shi Yu‐Hua , Wang Ming 
Published: July 2018

AbstractCatalytic kinetic resolution is often the “method of choice” for the preparation of optically enriched functionalized compounds and, over the past decade, kinetic resolutions and dynamic kinetic resolutions catalyzed by N‐heterocyclic carbenes (NHCs) have been employed for the synthesis of a variety of optically enriched functionalized molecules. Herein we provide an overview of reported NHC‐catalyzed kinetic resolutions in terms of the structure of the substrate, the reaction type, and the activation mode. This Focus Review is arranged according to the structure of the racemic compounds and includes the kinetic resolution of alcohols, amines, imines, and aldehydes, as well as dynamic kinetic resolution. In each section, the activation mode and reaction mechanism are discussed. We conclude with a summary of the current state‐of‐play in NHC‐catalyzed kinetic resolution and provide an outlook for the development of this field in the future.
Sustainability management: research insights from social cognitive neuroscience
Authors: McDonald Paul 
Published: July 2018

AbstractResearch in the field of social cognitive neuroscience is advancing rapidly, accelerated by technological innovation in brain imaging. This research is producing novel insights as to how humans process information, make decisions and behave in response to the growing imperatives for sustainability management. Recent research findings have implications for the theoretical foundations of sustainability management as well as the practical challenges confronting managers. Neuroscientific evidence underscores the magnitude of the challenges. Physiological evidence of six neural processes, hardwired via synaptic connections and potentially antagonistic to enhanced sustainability management, establish the structure of the paper. These neural phenomena, which are reflexive and preconscious, include: amygdala intercept, in‐group/out‐group differentiation, loss aversion, implicit persuasion and priming effects – cognitive and cultural. Propositions are advanced linking neurological processes to sustainability management. The paper concludes with strategic considerations and practical implications for greater integration between social cognitive neuroscience and sustainability management research.
Acquiring startups in the energy sector: a study of firm value and environmental policy
Authors: Kwon Ohsung , Lim Sangmin , Lee Duk Hee 
Published: July 2018

AbstractMergers and acquisitions are important activities for the growth of firms. In the energy sector, acquiring firms can obtain eco‐friendly technology and premiums, as well as tangible assets, through the acquisition of energy firms. Among many energy firms, an acquired startup is more effective since the acquisition price is relatively inexpensive and the acquiring firm is also exposed to entrepreneurial culture. In this study, to test the acquisition effect, datasets from Worldscope and CrunchBase are used. It is observed that, despite the advantages of an acquisition, the effect of a startup acquisition is negative. However, firms in environmentally sensitive industries benefit from such acquisition activity. The acquisition price of energy startups is overestimated due to increasing demand for acquisitions. On the other hand, the eco‐premiums also help dirty firms make a profit.
Understanding Commonalities and Interplay Between Organotemplate‐Free Zeolite Synthesis, Hierarchical Structure Creation, and Interzeolite Transformation
Authors: Zhang Ke , Fernandez Sergio , Ostraat Michele L. 
Published: July 2018

AbstractZeolites are crystalline microporous materials that have been widely used in many applications related to industrial catalysis, ion‐exchange, and adsorption. In recent years, there has been a growing emphasis on the development of green chemistry toward more sustainable zeolite synthesis routes. Considerable efforts have been devoted to identifying alternative approaches in order to reduce the negative impacts of organic templates. This review will focus on the significant progress achieved during the past decade on the development of novel organotemplate‐free strategies through three distinctive topics, i. e. zeolite synthesis, hierarchical zeolite synthesis, and interzeolite transformation. The progress of each topic will be documented, followed by a summary of the intriguing commonalities and interplay among these approaches. The insights into the mechanism and interplay leading to different zeolite materials will enable us to understand the requirements for designing novel zeolite catalysts and catalyst supports in an organotemplate‐free environment that are likely to further enhance the industrial impact of these materials in the future. We conclude this article with a perspective and outlook focusing on current trends and future directions in this area.
Tissue‐Penetrating, Hypoxia‐Responsive Echogenic Polymersomes For Drug Delivery To Solid Tumors
Authors: Kulkarni Prajakta , Haldar Manas K. , Karandish Fataneh , Confeld Matthew , Hossain Rayat , Borowicz Pawel , Gange Kara , Xia Lang , Sarkar Kausik , Mallik Sanku 
Published: July 2018

AbstractHypoxia in solid tumors facilitates the progression of the disease, develops resistance to chemo and radiotherapy, and contributes to relapse. Due to the lack of tumor penetration, most of the reported drug carriers are unable to reach the hypoxic niches of the solid tumors. We have developed tissue‐penetrating, hypoxia‐responsive echogenic polymersomes to deliver anticancer drugs to solid tumors. The polymersomes are composed of a hypoxia‐responsive azobenzene conjugated and a tissue penetrating peptide functionalized polylactic acid‐polyethylene glycol polymer. The drug‐encapsulated, hypoxia‐responsive polymersomes substantially decreased the viability of pancreatic cancer cells in spheroidal cultures. Under normoxic conditions, polymersomes were echogenic at diagnostic ultrasound frequencies but lose the echogenicity under hypoxia. In‐vivo imaging studies with xenograft mouse model further confirmed the ability of the polymersomes to target, penetrate, and deliver the encapsulated contents in hypoxic pancreatic tumor tissues.
Heteroatom‐Doping Increases Cluster Nuclearity: From an [Ag20] to an [Au3Ag18] Core
Authors: Chang Wan‐Ting , Sharma Sachil , Liao Jian‐Hong , Kahlal Samia , Liu Yu‐Chiao , Chiang Ming‐Hsi , Saillard Jean‐Yves , Liu C. W. 
Published: July 2018

AbstractA templated galvanic exchange performed on [Ag20{Se2P(OiPr)2}12] of C3 symmetry with three equiv AuI yields a mixture of [Au1+xAg20−x{Se2P(OiPr)2}12]+ (x=0–2) from which [Au@Ag20{Se2P(OiPr)2}12]+ and [Au@Au2Ag18{Se2P(OiPr)2}12]+ are successfully characterized to have T and C1 symmetry, respectively. Crystal structural analyses combined with DFT calculations on the model compounds explicitly demonstrate that the central Ag0 of Ag20 being oxidized by AuI migrates to the protecting atomic shell as a new capping AgI, and both second and third Au dopants prefer occupying non‐adjacent icosahedron vertices. The differences in symmetry, T and C1, are manifested in the spatial orientation of their protecting atomic shell composed of eight capping Ag atoms as well as re‐construction upon the replacement of Ag atoms on the vertices of AuAg12 icosahedral core with second and third Au dopants. As a result, a unique pathway for substitutional‐doped clusters with increased nuclearity is proposed.
A Strongly Luminescent Chromium(III) Complex Acid
Authors: Otto Sven , Förster Christoph , Wang Cui , Resch‐Genger Ute , Heinze Katja 
Published: July 2018

AbstractThe synthesis, structure, reactivity, and photophysical properties of a novel acidic, luminescent chromium(III) complex [Cr(H2tpda)2]3+ (23+) bearing the tridentate H2tpda (2,6‐bis(2‐pyridylamino)pyridine) ligand are presented. Excitation of 23+ at 442 nm results in strong, long‐lived NIR luminescence at 782 nm in water and in acetonitrile. X‐ray diffraction analysis and IR spectroscopy reveal hydrogen‐bonding interactions of the counter ions to the NH groups of 23+ in the solid state. Deprotonation of the NH groups of 23+ by using a non‐nucleophilic Schwesinger base in CH3CN switches off the luminescence. Re‐protonation by using HClO4 restores the emission. In water, the pKa value of 23+ amounts to 8.8, yet deprotonation is not reversible in the presence of hydroxide ions. Dioxygen quenches the emission of 23+, but to a weaker extent than expected. This is possibly due to the strong ion‐pairing properties of 23+ even in solution, reducing the energy transfer efficiency to O2. Deuteration of the NH groups of 23+ approximately doubles the quantum yield and lifetime in water, demonstrating the importance of multiphoton relaxation in these NIR emitters.
Atrial fibrillation in an African‐American cohort: The Jackson Heart Study
Authors: Austin Thomas R. , Wiggins Kerri L. , Blackshear Chad , Yang Yi , Benjamin Emelia J. , Curtis Lesley H. , Sotoodehnia Nona , Correa Adolfo , Heckbert Susan R. 
Published: July 2018

BackgroundAtrial fibrillation (AF) is an important public health problem across race/ethnic groups. Data from US cohort studies initiated in the 1980s suggest a higher prevalence of AF risk factors among African‐Americans (AAs) than whites, but lower AF incidence. The Jackson Heart Study (JHS) is a community‐based study of 5306 AAs recruited starting in 2000.HypothesisDemographic, anthropometric, cardiovascular, and/or electrocardiographic factors are associated with AF incidence in JHS.MethodsUsing baseline participant characteristics and incident AF identified through hospital surveillance, study electrocardiogram, and Medicare claims, we estimated age‐ and sex‐specific AF incidence rates, compared them with rates in AA participants in the Multi‐Ethnic Study of Atherosclerosis (MESA) and Cardiovascular Health Study (CHS), and examined associations of cardiovascular risk factors with AF.ResultsA total of 66 participants had prevalent AF at baseline. Over an average follow‐up of 8.5 years, 242 cases of incident AF were identified. Age‐ and sex‐specific AF incidence rates in JHS were similar to those among AAs in MESA and appeared slightly lower than those among AAs in CHS. In an age‐ and sex‐adjusted model, associations with incident AF were observed for modifiable risk factors: high body weight (HR = 1.23 per 15 kg, 95%CI 1.13‐1.35), systolic blood pressure (HR = 1.29 per 20 mmHg, 95%CI 1.13‐1.47), and current smoking (HR = 1.80, 95%CI 1.27‐2.55). Risk estimates associated with these risk factors were only slightly attenuated after multivariable adjustments.ConclusionsThese findings underscore the potential additional benefits of interventions for weight management, control of hypertension, and smoking cessation for the prevention of AF among AAs.
Hydroxypyridonecarboxylic Acids as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease
Authors: Kankanala Jayakanth , Wang Yan , Geraghty Robert J. , Wang Zhengqiang 
Published: July 2018

AbstractHuman cytomegalovirus (HCMV) infection poses a major health threat to immunocompromised individuals. Until recently, treatment of HCMV infection has relied solely on polymerase inhibitors that have safety and resistance issues. pUL89 provides the enzymatic functions for the HCMV terminase complex in viral DNA packaging and is an attractive target for developing a new class of HCMV drugs. However, inhibitors of the endonuclease activity of the C terminus of pUL89 (pUL89‐C) were unknown before our recently characterized hydroxypyridonecarboxylic acid (HPCA) hit 7 r (1‐(3‐chloro‐4‐fluorobenzyl)‐5‐hydroxy‐4‐oxo‐1,4‐dihydropyridine‐3‐carboxylic acid; numbered as 10 k in our previous publication: Y. Wang, L. Mao, J. Kankanala, Z. Wang, R. J. Geraghty, J. Virol. 2017, 91, e02152‐16). Herein, we explored the structure–activity relationship (SAR) of the HPCA chemotype mainly with regard to the N1 site through the synthesis of 35 analogues. The SAR studies, along with molecular modeling, identified a possible pharmacophore model minimally consisting of a chelating triad and a hydrophobic phenyl or biphenyl methyl substituent at N1. Lastly, our best compounds consistently inhibited pUL89‐C in the low micromolar range in biochemical assays and exhibited strong antiviral activity without cytotoxicity, laying a solid medicinal chemistry foundation for further HCMV drug discovery efforts targeting pUL89‐C.
Nasal surgery handled by CFD tools
Authors: Sanmiguel‐Rojas Enrique , Burgos Manuel Antonio , Esteban‐Ortega Francisco 
Published: July 2018

AbstractAnnually, hundreds of thousands of surgical interventions to correct nasal airway obstruction are performed throughout the world. Recent studies have noted that a significant number of patients have persistent symptoms of nasal obstruction postoperatively. In the present work, we introduce a new methodology that raises the success rate of nasal cavity surgery. In this procedure, the surgeon performs virtual surgery on a 3D nasal model of a patient prior to the real surgery. The main goal of the methodology is to guide the surgeon throughout the virtual operation using mathematical estimators based on CFD results. The virtual surgery intervention ends as soon as the estimators fall into a region of a Cartesian coordinate system with a high success probability. This region is defined according to a statistical analysis of estimators corresponding to sets of healthy and diseased cavities. As examples of this application, this study includes 2 surgical operations performed with this innovative methodology on patients with severe nasal obstruction. The patients underwent nasal surgery according to the final nasal geometry revealed by CFD‐guided virtual surgery. Currently, both subjects show high degrees of satisfaction.
Doping and Surface Effects of CuFeS2 Nanocrystals Used in Thermoelectric Nanocomposites
Authors: Vaure L. , Liu Y. , Cadavid D. , Agnese F. , Aldakov D. , Pouget S. , Cabot A. , Reiss P. , Chenevier P. 
Published: July 2018

AbstractIn the search for low‐cost thermoelectric materials operating near room temperature, the potential of chalcopyrite (CuFeS2) nanocrystals is explored. Their colloidal synthesis is optimized to achieve around 40 nm sized nanocrystals with the goal to effectively reduce thermal conductivity via phonon scattering while maintaining high electrical conductivity. EDX and XPS analyses reveal that the nanocrystals are intrinsically nanostructured with a radial compositional gradient. Three strategies are explored to optimize the thermoelectric properties: i) Intrinsic doping by varying the Cu : Fe ratio. However, the effect of this variation is overcompensated by a global sulfur deficiency, making the chalcopyrite nanocrystals n‐type. A high Seebeck coefficient, S, up to −380 μV/K is obtained, while the figure of merit remains comparably low (ZT=0.07 at 400 °C) because of low electrical conductivity σ. ii) Removal of the native, insulating ligands by exchange with potassium selenide. This results in a better trade‐off between S and σ and hence a strongly improved ZT (0.18 at 400 °C). iii) Extrinsic doping via intimate mixture of chalcopyrite nanocrystals with metal nanoparticles. Sn (3 wt %) or Ag (16 wt %) nanoparticles give the best results (ZT=0.16 at 400 °C), inducing the concomitant reduction of thermal conductivity κ and increase of σ.
Highly Efficient, Cost Effective, and Safe Sodiation Agent for High‐Performance Sodium‐Ion Batteries
Authors: Shanmukaraj Devaraj , Kretschmer Katja , Sahu Tuhin , Bao Weizhai , Rojo Teofilo , Wang Guoxiu , Armand Michel 
Published: July 2018

AbstractThe development of sodium‐ion batteries has been hindered so far by the large irreversible capacity of hard carbon anodes and other anode materials in the initial few cycles, as sodium ions coming from cathode materials is consumed in the formation of the solid–electrolyte interface (SEI) and irreversibly trapped in anodes. Herein, the successful synthesis of an environmentally benign and cost‐effective sodium salt (Na2C4O4) is reported that could be applied as additive in cathodes to solve the irreversible‐capacity issues of anodes in sodium‐ion batteries. When added to Na3(VO)2(PO4)2F cathode, the cathode delivered a highly stable capacity of 135 mAh g−1 and stable cycling performance. The water‐stable Na3(VO)2(PO4)2F cathode in combination with a water‐soluble sacrificial salt eliminates the need for using any toxic solvents for laminate preparation, thus paving way for greener electrode fabrication techniques. A 100 % increase in capacity of sodium cells (full‐cell configuration) has been observed when using the new sodium salt at a C‐rate of 2C. Regardless of the electrode fabrication technique, this new salt finds use in both aqueous and non‐aqueous cathode‐fabrication techniques for sodium‐ion batteries.
Dynamics of dissipative solitons developed in a closed traveling‐wave field‐effect transistor
Authors: Narahara Koichi 
Published: July 2018

SummaryA traveling‐wave field‐effect transistor (TWFET) balances not only nonlinearity and dispersion but also dissipation and amplification. It therefore supports dissipative solitons (DSs). By applying reduction theory to a model equation of the device, we found repulsive interaction between 2 relatively distant DSs, meaning that when 2 DSs rotate on a closed TWFET, they should separate evenly at the asymptotic limit. We then carried out several SPICE calculations on a closed TWFET and demonstrated that 2 DSs asymptotically rotate such that the one occupies the other's antipodal point. The SPICE calculations also admit a bound state, in which the 2 rotating pulses maintain a relatively small separation.
Hidden diversity in forest soils: Characterization and comparison of terrestrial flatworm’s communities in two national parks in Spain
Authors: Álvarez‐Presas Marta , Mateos Eduardo , Riutort Marta 
Published: July 2018

AbstractTerrestrial flatworms (Platyhelminthes, Tricladida, and Geoplanidae) belong to what is known as cryptic soil fauna of humid forests and are animals not easily found or captured in traps. Nonetheless, they have been demonstrated to be good indicators of the conservation status of their habitat as well as a good model to reconstruct the recent and old events affecting biodiversity. This is mainly due to their delicate constitution, their dependence on the integrity of their habitat, and their very low dispersal capacity. At present, little is known about their communities, except for some studies performed in Brazil. In this work, we analyze for the first time in Europe terrestrial flatworm communities. We have selected two protected areas belonging to theRed Española de Parques Nacionales. Our aims include performing a first study of the species richness and community structure for European terrestrial planarian species at regional and local scale. We evaluate the effect of type of forests in the community composition and flatworms’ abundance, but also have into account the phylogenetic framework (never considered in previous studies) analyzed based on molecular data. We find differences in the species composition among parks, with an astonishingly high diversity of endemic species in theParque Nacional de Picos de Europaand an extremely low diversity of species in theParque Nacional de Ordesa y Monte Perdido. These divergent patterns cannot be attributed to differences in physical variables, and in addition, the analyses of their phylogenetic relationships and, for a few species, their genetic structure, point to a more probable historical explanation.
Association of arginine vasopressin with low atrial natriuretic peptide levels, left ventricular remodelling, and outcomes in adults with and without heart failure
Authors: Chirinos Julio A. , Sardana Mayank , Oldland Garrett , Ansari Bilal , Lee Jonathan , Hussain Anila , Mustafa Anique , Akers Scott R. , Wei Wen , Lakatta Edward G. , Fedorova Olga V. 
Published: July 2018

AbstractAimsThe arginine vasopressin (AVP) pathway has been extensively studied in heart failure (HF) with reduced ejection fraction (HFrEF), but less is known about AVP in HF with preserved EF (HFpEF). Furthermore, the association between AVP and atrial natriuretic peptide (ANP, a well‐known inhibitor of AVP secretion) in HF is unknown.Methods and resultsWe studied subjects with HFpEF (n = 28) and HFrEF (n = 25) and without HF (n = 71). Left ventricular (LV) mass and left atrial (LA) volumes were measured with cardiac magnetic resonance imaging. Arginine vasopressin and ANP were measured with enzyme‐linked immunosorbent assay. Arginine vasopressin levels were significantly greater in HFpEF [0.96 pg/mL; 95% confidence interval (CI) = 0.83–1.1 pg/mL] compared with subjects without HF (0.69 pg/mL; 95% CI = 0.6–0.77 pg/mL; P = 0.0002). Heart failure with preserved ejection fraction (but not HFrEF) was a significant predictor of higher AVP after adjustment for potential confounders. Arginine vasopressin levels were independently associated with a greater LA volume and also paradoxically, with lower ANP levels. Key independent correlates of higher AVP were the presence of HFpEF (standardized β = 0.32; 95% CI = 0.09–0.56; P = 0.0073) and the ANP/LA volume ratio (standardized β = −0.23; 95% CI = −0.42 to −0.04; P = 0.0196). Arginine vasopressin levels were independently associated with LV mass (β = 0.26; 95% CI = 0.09–0.43; P = 0.003) and with an increased risk of death or HF admissions during follow‐up (hazard ratio = 1.61; 95% CI = 1.13–2.29; P = 0.008).ConclusionsArginine vasopressin is increased in HFpEF and is associated with LV hypertrophy and poor outcomes. Higher AVP is associated with the combination of LA enlargement and paradoxically low ANP levels. These findings may indicate that a relative deficiency of ANP (an inhibitor of AVP secretion) in the setting of chronically increased LA pressure may contribute to AVP excess.