bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Lipid A from Rhodopseudomonas palustris Strain BisA53 LPS Possesses a Unique Structure and Low Immunostimulant Properties
Authors: Di Lorenzo Flaviana , Palmigiano Angelo , Albitar‐Nehme Sami , Sturiale Luisa , Duda Katarzyna A. , Gully Djamel , Lanzetta Rosa , Giraud Eric , Garozzo Domenico , Bernardini Maria Lina , Molinaro Antonio , Silipo Alba 
Published: December 2016

AbstractThe search for novel lipid A analogues from any biological source that can act as antagonists, displaying inhibitory activity towards the production of pro‐inflammatory cytokines, or as immunomodulators in mammals, is a very topical issue. To this aim, the structure and immunological properties of the lipopolysaccharide lipid A from the purple nonsulfur bacterium Rhodopseudomonas palustris strain BisA53 have been determined. This lipid A displays a unique structural feature, with a non‐phosphorylated skeleton made up of the tetrasaccharide Manp‐α‐(1→4)‐GlcpN3N‐β‐1→6‐GlcpN3N‐α‐(1→1)‐α‐GalpA, and four primary amide‐linked 14:0(3‐OH) and, as secondary O‐acyl substituents, a 16:0 and the very long‐chain fatty acid 26:0(25‐OAc), appended on the GlcpN3N units. This lipid A architecture is definitely rare, so far identified only in the genus Bradyrhizobium. Immunological tests on both murine bone‐marrow‐derived and human monocyte‐derived macrophages revealed an extremely low immunostimulant capability of this LPS lipid A.
First Example of Nonlinear Optical Materials Based on Nanoconjugates of Sandwich Phthalocyanines with Quantum Dots
Authors: Oluwole David O. , Yagodin Alexey V. , Mkhize Nhlakanipho C. , Sekhosana Kutloano E. , Martynov Alexander G. , Gorbunova Yulia G. , Tsivadze Aslan Yu. , Nyokong Tebello 
Published: December 2016

AbstractWe report original, selective, and efficient approaches to novel nonlinear optical (NLO) materials, namely homoleptic double‐ and triple‐decker europium(III) complexes2and3with the A3B‐type phthalocyanine ligand (2,3‐bis[2′‐(2′′‐hydroxyethoxy)ethoxy]‐9,10,16,17,23,24‐hexa‐n‐butoxyphthalocyanine1) bearing two anchoring diethyleneglycol chains terminated with OH groups. Their covalently linked nanoconjugates with mercaptosuccinic acid‐capped ternary CdSeTe/CdTeS/ZnSeS quantum dots are prepared in the presence of an ethyl(dimethylaminopropyl)carbodiimide activating agent. Optical limiting (OL) properties of the obtained low‐symmetry complexes and their conjugates with quantum dots (QDs) are measured for the first time by the open‐aperture Z‐scan technique (532 nm laser and pulse rate of 10 ns). For comparison, symmetrical double‐ and triple‐decker EuIIIocta‐n‐butoxyphthalocyaninates5and6and their mixtures with trioctylphosphine oxide‐capped QDs are also synthesized and studied. It is revealed that both lowering of molecular symmetry and expansion of the π‐electron system upon moving from double‐ to triple‐decker complexes significantly improves the OL characteristics, making the low‐symmetry triple‐decker complex3the most efficient optical limiter in the studied family of sandwich complexes, affording 50 % lowering of light transmittance below 0.5 J cm−2input fluence. Conjugation (both covalent and noncovalent) with QDs affords further enhancement of the OL properties of both double‐ and triple‐decker complexes. Altogether, the obtained results contribute to the development of novel nonlinear optical materials for future nanoelectronic and optical device applications.
Inorganic and Organometallic Molecular Wires for Single‐Molecule Devices
Authors: Tanaka Yuya , Kiguchi Manabu , Akita Munetaka 
Published: December 2016

AbstractRecent developments of single‐molecule conductance measurements allow us to understand fundamental conducting properties of molecular wires. While a wide variety of organic molecular wires have been studied so far, inorganic and organometallic molecular wires have received much less attention. However, molecular wires with transition‐metal atoms show interesting features and functions distinct from those of organic wires. These properties originate mainly from metal–ligand dπ–pπ interactions and metal–metal d–d interactions. Thanks to the rich combination of metal atoms and supporting ligands, frontier orbital energies of the molecular wires can be finely tuned to lead to highly conducting molecular wires. Moreover, the unique electronic structures of metal complexes are susceptible to subtle environmental changes, leading to potential functional molecular devices. This article reviews recent advances in the single‐molecule conductance study of inorganic and organometallic molecular wires.
Single‐Site Osmium Catalysts on MgO: Reactivity and Catalysis of CO Oxidation
Authors: Yang Dong , Zhang Shengjie , Xu Pinghong , Browning Nigel D. , Dixon David A. , Gates Bruce C. 
Published: December 2016

AbstractMgO‐supported osmium dioxo species, described as Os(=O)2{−Osupport}1 or 2 (the brackets denote O atoms of the MgO surface), formed from Os3(CO)12 via supported Os(CO)2, and characterized by spectroscopy, microscopy, and theory, react with ethylene at 298 K to form osmium glycol species or with CO to give osmium mono‐ and di‐carbonyls. Os(=O)2{−Osupport}1 or 2 is the precursor of a CO oxidation catalyst characterized by a turnover frequency of 4.0×10−3 (molecules of CO)/(Os atom×s) at 473 K; the active species are inferred to be osmium monocarbonyls. The structures and frequencies calculated at the level of density functional theory with the B3LYP functional bolster the experimental results and facilitate structural assignments. The lowest‐energy structures have various osmium oxidation and spin states. The results demonstrate not only new chemistry of the supported single‐site catalysts but also their complexity and the value of complementary techniques used in concert to unravel the chemistry.
Intrinsic Thermodynamics and Structures of 2,4‐ and 3,4‐Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases
Authors: Zubrienė Asta , Smirnov Alexey , Dudutienė Virginija , Timm David D. , Matulienė Jurgita , Michailovienė Vilma , Zakšauskas Audrius , Manakova Elena , Gražulis Saulius , Matulis Daumantas 
Published: December 2016

AbstractThe goal of rational drug design is to understand structure–thermodynamics correlations in order to predict the chemical structure of a drug that would exhibit excellent affinity and selectivity for a target protein. In this study we explored the contribution of added functionalities of benzenesulfonamide inhibitors to the intrinsic binding affinity, enthalpy, and entropy for recombinant human carbonic anhydrases (CA) CA I, CA II, CA VII, CA IX, CA XII, and CA XIII. The binding enthalpies of compounds possessing similar chemical structures and affinities were found to be very different, spanning a range from −90 to +10 kJ mol−1, and are compensated by a similar opposing entropy contribution. The intrinsic parameters of binding were determined by subtracting the linked protonation reactions. The sulfonamide group pKa values of the compounds were measured spectrophotometrically, and the protonation enthalpies were measured by isothermal titration calorimetry (ITC). Herein we describe the development of meta‐ or ortho‐substituted fluorinated benzenesulfonamides toward the highly potent compound 10 h, which exhibits an observed dissociation constant value of 43 pm and an intrinsic dissociation constant value of 1.1 pm toward CA IX, an anticancer target that is highly overexpressed in various tumors. Fluorescence thermal shift assays, ITC, and X‐ray crystallography were all applied in this work.
Reinventing Design Principles for Developing Low‐Viscosity Carbon Dioxide‐Binding Organic Liquids for Flue Gas Clean Up
Authors: Malhotra Deepika , Koech Phillip K. , Heldebrant David J. , Cantu David C. , Zheng Feng , Glezakou Vassiliki‐Alexandra , Rousseau Roger 
Published: December 2016

AbstractAnthropogenic CO2 emissions from point sources (e.g., coal fired‐power plants) account for the majority of the greenhouse gases in the atmosphere. Water‐lean solvent systems such as CO2‐binding organic liquids (CO2BOLs) are being developed to reduce the energy requirement for CO2 capture. Many water‐lean solvents such as CO2BOLs are currently limited by the high viscosities of concentrated electrolyte solvents, thus many of these solvents have yet to move toward commercialization. Conventional standard trial‐and‐error approaches for viscosity reduction, while effective, are time consuming and economically expensive. We rethink the metrics and design principles of low‐viscosity CO2‐capture solvents using a combined synthesis and computational modeling approach. We critically study the effects of viscosity reducing factors such as orientation of hydrogen bonding, introduction of higher degrees of freedom, and cation or anion charge solvation, and assess whether or how each factor affects viscosity of CO2BOL CO2 capture solvents. Ultimately, we found that hydrogen bond orientation and strength is the predominant factor influencing the viscosity in CO2BOL solvents. With this knowledge, a new CO2BOL variant, 1‐MEIPADM‐2‐BOL, was synthesized and tested, resulting in a solvent that is approximately 60 % less viscous at 25 mol % CO2 loading than our base compound 1‐IPADM‐2‐BOL. The insights gained from the current study redefine the fundamental concepts and understanding of what influences viscosity in concentrated organic CO2‐capture solvents.
Design exploration of efficient implementation on SoC heterogeneous platform: HEVC intra prediction application
Authors: Kammoun Manel , Ben Atitallah Ahmed , Ben Atitallah Rabie , Masmoudi Nouri 
Published: December 2016

SummaryThe relationship between CPU and hardware accelerator is critical especially in some systems that require intensive tasks and large amount of data to deal with such as video coding systems. This cooperation provides significant improvements in run‐time speed and power consumption. As software (SW) and hardware (HW) solutions provide better flexibility and performance, HW/SW implementation has emerged as a more efficient and desirable methodology for real‐time implementation. In order to evaluate different implementation methods (SW) and (HW/SW) in terms of power consumption, run‐time and area cost, we choose the Xilinx Zynq‐based FPGA as a target to perform some hardware acceleration tasks. In this case, we choose to accelerate the intra prediction block because it is one of the most complex modules defined in the high efficiency video coding decoder chain. Experimental results show that HW/SW accelerations are more than 50% improved in term of run‐time speed relative to SW modules. Moreover, the power consumption of HW/SW designs is saved by nearly 80% compared with SW cases. Copyright © 2016 John Wiley & Sons, Ltd.
Caching rodents disproportionately disperse seed beneath invasive grass
Authors: Sommers Pacifica , Chesson Peter 
Published: December 2016

AbstractSeed dispersal by caching rodents is a context‐dependent mutualism in many systems. Plants benefit when seed remaining in shallow caches germinates before being eaten, often gaining protection from beetles and a favorable microsite in the process. Caching in highly unfavorable microsites, conversely, could undermine the dispersal benefit for the plant. Plant invasions could disrupt dispersal benefits of seed caching by attracting rodents to the protection of a dense invasive canopy which inhibits the establishment of native seedlings beneath it. To determine whether rodents disproportionately cache seed under the dense canopy of an invasive grass in southeastern Arizona, we used nontoxic fluorescent powder and ultraviolet light to locate caches of seed offered to rodents in the field. We fitted a general habitat‐use model, which showed that disproportionate use of plant cover by caching rodents (principally Chaetodipus spp.) increased with moonlight. Across all moon phases, when rodents cached under plants, they cached under the invasive grass disproportionately to its relative cover. A greenhouse experiment showed that proximity to the invasive grass reduced the growth and survival of seedlings of a common native tree (Parkinsonia microphylla) whose seeds are dispersed by caching rodents. Biased dispersal of native seed to the base of an invasive grass could magnify the competitive effect of this grass on native plants, further reducing their recruitment and magnifying the effect of the invasion.
Potential carbon dioxide emission reductions from avoided grassland conversion in the northern Great Plains
Authors: Ahlering Marissa , Fargione Joseph , Parton William 
Published: December 2016

AbstractProtection of lands threatened with conversion to agriculture can reduce carbon emissions. Until recently, most climate change mitigation incentive programs for avoided conversion have focused on forested ecosystems. We applied the Avoided Conversion of Grasslands and Shrublands v.1.0 (ACoGS) methodology now available through the American Carbon Registry to a threatened region of grasslands in the northern Great Plains. For all soil types across 14 counties in North and South Dakota, we used the DAYCENT model calibrated to the study area to quantify the difference in CO2 and N2O emissions under a cropping and a protection scenario, and we used formulas in the ACoGS methodology to calculate CH4 emissions from enteric fermentation under the protection scenario. We mapped the resulting GHG emissions across the entire project area. Emissions averaged 51.6 tCO2e/ha over 20 years, and with a 31% reduction for leakage and uncertainty from the ACoGS methodology, carbon offsets averaged 35.6 tCO2e/ha over 20 years. Protection of 10% of the 2.1 million unprotected ha in the project area with the highest emissions would reduce emissions by 11.7 million tCO2e over 20 years (11% of the total emissions from all unprotected grassland) and avoid a social cost of $430 million worth of CO2 emissions. These results suggest that carbon offsets generated from avoided conversion of grasslands can meaningfully contribute to climate mitigation and grassland conservation objectives.
A new energy‐efficient relay selection technique for large‐scale randomly distributed wireless networks
Authors: Aydin Ibrahim , Aygölü Ümit 
Published: December 2016

AbstractThe key question need to be answered about relay selection in a large‐scale randomly distributed wireless network is that how to select a relay energy efficiently under a throughput (i.e., effective data rate) constraint with a reasonable complexity. It is not practical to collect instantaneous channel state information of all relays for relay selection because of excessive control packet transmission and useless energy consumption because to hold a relay in active mode to participate relay selection process needs significantly more power consumption than to hold in sleep mode. In this paper we propose a new energy‐efficient relay selection technique for large‐scale randomly distributed wireless networks for which an active relay region is introduced where only the relays in the region are taken into consideration for relay selection. Then, we propose a simple relay selection technique, which is only based on the channel state information of source‐relay channels of the relay subset to reduce the complexity and signaling overhead. The proposed relay selection technique increases energy efficiency at an acceptable complexity level without jeopardizing the effective data rate. We investigate the optimum size of the active relay region for energy efficient in which relays perform decode‐and‐forward technique. A detailed and realistic power consumption model is studied by taking all possible sources of power consumption into consideration, i.e., data transmission, signaling packets transmission, and circuit power consumption during all phases of the communication. We show that the proposed technique is more energy efficient and provides better effective data rate in comparison to the reference techniques.
Effect of Fe open metal site in metal‐organic frameworks on post‐combustion CO2 capture performance
Authors: Wongsakulphasatch Suwimol , Kiatkittipong Worapon , Saupsor Janenipa , Chaiwiseshphol Jatuphol , Piroonlerkgul Pakorn , Parasuk Vudhichai , Assabumrungrat Suttichai 
Published: December 2016

AbstractIron open metal site in metal‐organic frameworks, MIL‐88A and MIL‐127(Fe), was tested to investigate its performance on CO2 separation from a binary mixture CO2/N2 under simulated post‐combustion system. The sorption experiment tests were conducted via a fixed‐bed reactor with different temperatures ranging between 30°C and 60°C at atmospheric pressure. Maximum CO2 sorption capacity was observed at low temperature of 30°C, where 5.24 mmol could be adsorbed by one gram of MIL‐127(Fe) and 4.95 mmol CO2 could be adsorbed by one gram of MIL‐88A. The presence of moisture in the gas mixture affected CO2 sorption capacity by reducing CO2 capacity as high as 0.5 mmol CO2 per one gram sorbent. In this work, a dynamic breakthrough model was applied to investigate adsorption behavior of the metal‐organic frameworks (MOFs) and of the system. The predicted model showed good agreement with experimental results; the Langmuir isotherm model fitted well with our sorption system, suggesting one molecule of CO2 is held at localized sites of the MOFs, which plausibly be at unsaturated Fe2+ metal ion site. Rate of sorption was found to increase with increasing sorption temperature for either intra‐particle diffusivity or external mass transfer. Our study suggests that the MOFs containing Fe open metal sites offer an outstanding prospective for CO2 sorption and both MIL‐88A and MIL‐127(Fe) are good representatives applied for post‐combustion CO2 capture. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd.
How do subsidiaries assume autonomy? A refined application of agency theory within the subsidiary‐headquarters context
Authors: Cavanagh Andrew , Freeman Susan , Kalfadellis Paul , Cavusgil Salih Tamer 
Published: December 2016

Research SummaryWhile the notion of subsidiary autonomy has received considerable attention within the international business literature, extant research is yet to comprehensively distinguish between the different types of subsidiary autonomy. This article outlines a key type that is independently claimed by the subsidiary, ‘assumed autonomy,’ and makes the following contributions: first, we outline the causes for this type of autonomy. Second, we elucidate how assumed autonomy is viewed by the head office. In doing so, the article also challenges previous applications of agency theory within the subsidiary‐headquarters context, arguing the need for a refined, more nuanced interpretation in this setting to reflect a revised set of agency theory assumptions.Managerial summaryDespite representing a key issue in subsidiary management today, the types of autonomy that may be acquired by, or available to, a subsidiary are not yet fully understood. This article aims to reduce the confusion in this respect by outlining a key type of autonomy that is ‘assumed’ by the subsidiary without explicit delegation from the head office. We explain the reasons why this type of autonomy may be developed by the subsidiary and also how it is likely to be viewed by the head office. We anticipate that this will in turn have significant implications for the ongoing viability and value of the subsidiary within the multinational, and it highlights the importance of head office managers adopting a more open‐minded approach to proactive subsidiary behavior. Copyright © 2016 Strategic Management Society.
Modified porous scaffolds of silk fibroin with mimicked microenvironment based on decellularized pulp/fibronectin for designed performance biomaterials in maxillofacial bone defect
Authors: Sangkert Supaporn , Kamonmattayakul Suttatip , Chai Wen Lin , Meesane Jirut 
Published: December 2016

AbstractMaxillofacial bone defect is a critical problem for many patients. In severe cases, the patients need an operation using a biomaterial replacement. Therefore, to design performance biomaterials is a challenge for materials scientists and maxillofacial surgeons. In this research, porous silk fibroin scaffolds with mimicked microenvironment based on decellularized pulp and fibronectin were created as for bone regeneration. Silk fibroin scaffolds were fabricated by freeze‐drying before modification with three different components: decellularized pulp, fibronectin, and decellularized pulp/fibronectin. The morphologies of the modified scaffolds were observed by scanning electron microscopy. Existence of the modifying components in the scaffolds was proved by the increase in weights and from the pore size measurements of the scaffolds. The modified scaffolds were seeded with MG‐63 osteoblasts and cultured. Testing of the biofunctionalities included cell viability, cell proliferation, calcium content, alkaline phosphatase activity (ALP), mineralization and histological analysis. The results demonstrated that the modifying components organized themselves into aggregations of a globular structure. They were arranged themselves into clusters of aggregations with a fibril structure in the porous walls of the scaffolds. The results showed that modified scaffolds with a mimicked microenvironment of decellularized pulp/fibronectin were suitable for cell viability since the cells could attach and spread into most of the pores of the scaffold. Furthermore, the scaffolds could induce calcium synthesis, mineralization, and ALP activity. The results indicated that modified silk fibroin scaffolds with a mimicked microenvironment of decellularized pulp/fibronectin hold promise for use in tissue engineering in maxillofacial bone defects. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 1624–1636, 2017.
Chitosan nanofibers for transbuccal insulin delivery
Authors: Lancina Michael G. , Shankar Roopa Kanakatti , Yang Hu 
Published: December 2016

AbstractIn this work, they aimed at producing chitosan based nanofiber mats capable of delivering insulin via the buccal mucosa. Chitosan was electrospun into nanofibers using poly(ethylene oxide) (PEO) as a carrier molecule in various feed ratios. The mechanical properties and degradation kinetics of the fibers were measured. Insulin release rates were determinedin vitrousing an ELISA assay. The bioactivity of released insulin was measured in terms of Akt activation in pre‐adipocytes. Insulin permeation across the buccal mucosa was measured in anex‐vivoporcine transbuccal model. Fiber morphology, mechanical properties, andin vitrostability were dependent on PEO feed ratio. Lower PEO content blends produced smaller diameter fibers with significantly faster insulin release kinetics. Insulin showed no reduction in bioactivity due to electrospinning. Buccal permeation of insulin facilitated by high chitosan content blends was significantly higher than that of free insulin. Taken together, the work demonstrates that chitosan‐based nanofibers have the potential to serve as a transbuccal insulin delivery vehicle. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 1252–1259, 2017.