bluuebunny/crossref_metadata_2025_split huggingface dataset:
Sustainability of forest bioenergy feedstock supply chains: Local, national and international policy perspectives
Authors: Thiffault Evelyne , Endres Jody , McCubbins James SN , Junginger Martin , Lorente Miren , Fritsche Uwe 
Published: March 2015

AbstractIn 2009, the European Union (EU) Renewable Energy Directive (RED) mandated that 20% of the EU’s final energy consumption consist of renewable sources by 2020, and included sustainability criteria for liquid biofuels. Discussions around extending criteria to solid and gaseous biomass, including wood pellets, have been ongoing. Continued investment in forest bioenergy feedstock production is partly dependent on the stability of global market demand and the economic viability of feedstock production and trade. For trans‐boundary governance mechanisms such as the RED to be efficient, a proper assessment of the specific forest and land policy contexts of wood pellet exporters that the mechanism will affect, such as Canada, the USA, and Russia, is crucial. This paper builds on sustainability criteria for biodiversity protection and assurance of sustainable forest management (SFM) for woody biomass that are currently under discussion for inclusion in the RED and compares them with national and local regulations of those three countries. This illustrates potential challenges in the establishment of sustainability criteria related to: differences in land definitions, delineation and reporting systems; lack of a uniform definitional paradigm for SFM; and difficulties in establishing efficient monitoring/auditing systems. Regulators wanting to implement supra‐national sustainability schemes such as the EU RED need to be aware of challenges that such schemes carry and make efforts to reduce or eliminate pitfalls. There is also a need to assess the aggregated effects of these various tools, and a need for communication, collaboration and outreach among stakeholders. © 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
A Combined Experimental and Computational Study on the Cycloisomerization of 2‐Ethynylbiaryls Catalyzed by Dicationic Arene Ruthenium Complexes
Authors: Yamamoto Yoshihiko , Matsui Kazuma , Shibuya Masatoshi 
Published: March 2015

AbstractRuthenium‐catalyzed cycloisomerization of 2‐ethynylbiaryls was investigated to identify an optimal ruthenium catalyst system. A combination of [η6‐(p‐cymene)RuCl2(PR3)] and two equivalents of AgPF6 effectively converted 2‐ethynylbiphenyls into phenanthrenes in chlorobenzene at 120 °C over 20 h. Moreover, 2‐ethynylheterobiaryls were found to be favorable substrates for this ruthenium catalysis, thus achieving the cycloisomerization of previously unused heterocyclic substrates. Moreover, several control experiments and DFT calculations of model complexes were performed to propose a plausible reaction mechanism.
Dinuclear Face‐Sharing Bi‐octahedral Tungsten(VI) Core and Unusual Thermal Behavior in Complex Th Tungstates
Authors: Xiao Bin , Gesing Thorsten M. , Robben Lars , Bosbach Dirk , Alekseev Evgeny V. 
Published: March 2015

AbstractInvited for the cover of this issue are the groups of Evgeny V. Alekseev at the Forchungszentrum Jülich and Thorstem M. Gesing at the University of Bremen. The image depicts the complex thorium tungstate polyanions, having a six‐leafed lily cross‐section, containing a rare confacial [W2O9]6− bioctahedral core. Read the full text of the article at 10.1002/chem.201500500.
Indolo[3,2‐c]quinoline G‐Quadruplex Stabilizers: a Structural Analysis of Binding to the Human Telomeric G‐Quadruplex
Authors: Lavrado João , Ohnmacht Stephan A. , Correia Isabel , Leitão Clara , Pisco Sílvia , Gunaratnam Mekala , Moreira Rui , Neidle Stephen , Santos Daniel J. V. A. dos , Paulo Alexandra 
Published: March 2015

AbstractA library of 5‐methylindolo[3,2‐c]quinolones (IQc) with various substitution patterns of alkyldiamine side chains were evaluated for G‐quadruplex (G4) binding mode and efficiency. Fluorescence resonance energy transfer melting assays showed that IQcs with a positive charge in the heteroaromatic nucleus and two weakly basic side chains are potent and selective human telomeric (HT) and gene promoter G4 stabilizers. Spectroscopic studies with HT G4 as a model showed that an IQc stabilizing complex involves the binding of two IQc molecules (2,9‐bis{[3‐(diethylamino)propyl]amino}‐5‐methyl‐11H‐indolo[3,2‐c]quinolin‐5‐ium chloride, 3 d) per G4 unit, in two non‐independent but equivalent binding sites. Molecular dynamics studies suggest that end‐stacking of 3 d induces a conformational rearrangement in the G4 structure, driving the binding of a second 3 d ligand to a G4 groove. Modeling studies also suggest that 3 d, with two three‐carbon side chains, has the appropriate geometry to participate in direct or water‐mediated hydrogen bonding to the phosphate backbone and/or G4 loops, assisted by the terminal nitrogen atoms of the side chains. Additionally, antiproliferative studies showed that IQc compounds 2 d (2‐{[3‐(diethylamino)propyl]amino}‐5‐methyl‐11H‐indolo[3,2‐c]quinolin‐5‐ium chloride) and 3 d are 7‐ to 12‐fold more selective for human malignant cell lines than for nonmalignant fibroblasts.
Parameterization of the Hamiltonian Dielectric Solvent (HADES) Reaction‐Field Method for the Solvation Free Energies of Amino Acid Side‐Chain Analogs
Authors: Zachmann Martin , Mathias Gerald , Antes Iris 
Published: March 2015

AbstractOptimization of the Hamiltonian dielectric solvent (HADES) method for biomolecular simulations in a dielectric continuum is presented with the goal of calculating accurate absolute solvation free energies while retaining the model’s accuracy in predicting conformational free‐energy differences. The solvation free energies of neutral and polar amino acid side‐chain analogs calculated by using HADES, which may optionally include nonpolar contributions, were optimized against experimental data to reach a chemical accuracy of about 0.5 kcal mol−1. The new parameters were evaluated for charged side‐chain analogs. The HADES results were compared with explicit‐solvent, generalized Born, Poisson–Boltzmann, and QM‐based methods. The potentials of mean force (PMFs) between pairs of side‐chain analogs obtained by using HADES and explicit‐solvent simulations were used to evaluate the effects of the improved parameters optimized for solvation free energies on intermolecular potentials.
Conversion of Hemicellulose Sugars Catalyzed by Formic Acid: Kinetics of the Dehydration of D‐Xylose, L‐Arabinose, and D‐Glucose
Authors: Dussan Karla , Girisuta Buana , Lopes Marystela , Leahy James J. , Hayes Michael H. B. 
Published: March 2015

AbstractThe pre‐treatment of lignocellulosic biomass produces a liquid stream of hemicellulose‐based sugars, which can be further converted to high‐value chemicals. Formosolv pulping and the Milox process use formic acid as the fractionating agent, which can be used as the catalyst for the valorisation of hemicellulose sugars to platform chemicals. The objective of this study was to investigate the reaction kinetics of major components in the hemicelluloses fraction of biomass, that is, D‐xylose, L‐arabinose and D‐glucose. The kinetics experiments for each sugar were performed at temperatures between 130 and 170 °C in various formic acid concentrations (10–64 wt %). The implications of these kinetic models on the selectivity of each sugar to the desired products are discussed. The models were used to predict the reaction kinetics of solutions that resemble the liquid stream obtained from the fractionation process of biomass using formic acid.
Hierarchical Zeolites and their Catalytic Performance in Selective Oxidative Processes
Authors: Ojeda Manuel , Grau‐Atienza Aida , Campos Rafael , Romero Antonio A. , Serrano Elena , Maria Marinas Jose , García Martínez Javier , Luque Rafael 
Published: March 2015

AbstractHierarchical ZSM‐5 zeolites prepared using a simple alkali treatment and subsequent HCl washing are found to exhibit unprecedented catalytic activities in selective oxidation of benzyl alcohol under microwave irradiation. The metal‐free zeolites promote the microwave‐assisted oxidation of benzyl alcohol with hydrogen peroxide in yields ranging from 45–35 % after 5 min of reaction under mild reaction conditions as well as the epoxidation of cyclohexene to valuable products (40–60 % conversion). The hierarchically porous systems also exhibited an interesting catalytic activity in the dehydration of N,N‐dimethylformamide (25–30 % conversion), representing the first example of transition‐metal free catalysts in this reaction.
A Semi‐Interpenetrating Network Approach for Dimensionally Stabilizing Highly‐Charged Anion Exchange Membranes for Alkaline Fuel Cells
Authors: He Steve S. , Strickler Alaina L. , Frank Curtis W. 
Published: March 2015

AbstractThere is a delicate balance between ion exchange capacity (IEC), conductivity, and dimensional stability in anion exchange membranes as higher charge content can lead to increased water uptake, causing excessive swelling and charge dilution. Using highly‐charged benzyltrimethylammonium polysulfone (IEC=2.99 mEq g−1) as a benchmark (which ruptured in water even at room temperature), we report the ability to dramatically decrease water uptake using a semi‐interpenetrating network wherein we reinforced the linear polyelectrolyte with a crosslinked poly(styrene‐co‐divinylbenzene) network. These membranes show enhanced dimensional stability as a result of lower water uptake (75 % vs. 301 % at 25 °C) while maintaining excellent hydroxide conductivity (up to 50 mS cm−1 at 25 °C). These improvements produced an enhanced alkaline fuel cell capable of generating 236 mW cm−2 peak power density at 80 °C. This method is easily adaptable and can be a viable strategy for stabilizing existing systems.
Effects of pine wilt disease invasion on soil properties and Masson pine forest communities in the Three Gorges reservoir region, China
Authors: Gao Ruihe , Shi Juan , Huang Ruifen , Wang Zhuang , Luo Youqing 
Published: March 2015

AbstractPine wilt disease (PWD) has caused significant Masson pine mortality in the Three Gorges reservoir region in central China. In this study, five uniform Masson pine stand types infected byPWDwere selected and surveyed on slopes and aspects with similar environmental conditions. In sites that had been infected, soil bulk density was reduced, and the difference among the groups was statistically significant (P < 0.05) at the 0–10 cm and 10–20 cm soil layers, but not at 20–40 cm. Other soil water‐related physical properties, excluding noncapillary porosity, significantly differed among the groups in all soil layers. Additionally, the values of available phosphorus, sodium, potassium, calcium, and magnesium were higher in the invaded stands, but the total nitrogen and organic matter contents were lower. Masson pine does not become reestablished followingPWD‐induced mortality but is instead replaced by broad‐leaved tree species. Among the 19 examined environmental variables, five were found to be significantly related with the ordination of plant community structure: Masson pine stumps (MPS), K+, capillary water holding capacity (CWHC), capillary porosity (CP), and soil water content (SWC). Among these factors, the plant community structure was principally related toMPSand K+. The findings of this study show that the outbreak ofPWDhas impacted Masson pine forest soil properties and altered forest community composition. The disease is negatively related with the presence of Masson pine and positively associated with that of broad‐leaved tree species.
1H‐NMR and isotopic fingerprinting of olive oil and its unsaponifiable fraction: Geographical origin of virgin olive oils by pattern recognition
Authors: Alonso‐Salces Rosa M. , Segebarth Nicolas , Garmón‐Lobato Sergio , Holland Margaret V. , Moreno‐Rojas Jose M. , Fernández‐Pierna Juan A. , Baeten Vincent , Fuselli Sandra R. , Gallo Blanca , Berrueta Luis Angel , Reniero Fabiano , Guillou Claude , Héberger Károly 
Published: March 2015

1H‐NMR spectral data and H and C isotope abundances of virgin olive oils (VOOs) and their unsaponifiable fractions were analyzed by pattern recognition techniques, such as principal component analysis (PCA) and partial‐least squares discriminant analysis (PLS‐DA). The aim was to develop chemical tools for the authentication of VOOs according to their geographical origin or protected designation of origin (PDO), as well as to detect the mislabeling of the provenance of VOOs, at the regional or national level, or the mislabeling of non‐PDO oils as PDO VOOs. The relationship between stable isotope abundances of the VOOs and their unsaponifiable fractions and the latitude of the VOO geographical origin was confirmed, but these criteria were not completely discriminant to differentiate VOOs according to their geographical origin. However, δ2H and/or δ13C data provided complementary geographical information to 1H‐NMR data in the PLS‐DA binary classification models afforded for VOOs from Greece, Spain, Italy, Izmir (Turkey), Crete (Greece), and the PDOs Riviera Ligure (Italy) and Huile d'olive d'Aix−en−Provence (France). 2H/1H and 13C/12C ratios of the unsaponifiable fractions of VOOs are reported here for the first time. The present approach for PDO Riviera Ligure VOOs, based on 1H‐NMR data and C isotope abundance of the bulk oil and its unsaponifiable fraction, outperformed the previously reported classification models. Moreover, the PLS‐DA models to authenticate VOOs from Greece and detect non‐Greek VOOs achieved over 93% of correct predictions.Practical applications: The research can be applied in the protection of consumers and honest producers and retailers, and provides potential tools for antifraud authorities and regulatory bodies, which face the challenge of detecting fraudulent practices that do not comply with EU regulations in the trade of VOOs, such as the mislabeling of VOOs produced in a certain geographical origin [Commission Implementing Regulation (EC) no 29/2012 and Commission Implementing Regulation (EC) no 1335/2013] and/or under specific EU quality schemes, named PDO or PGI [Council Regulation (EC) no 510/2006].1H‐NMR spectral data and H and C isotope abundances of virgin olive oils (VOOs) and their unsaponifiable fractions were analyzed by pattern recognition techniques, in order to develop chemical tools for the authentication of VOOs according to their geographical origin or protected designation of origin (PDO), as well as to detect the mislabeling of the provenance of VOOs, at the regional or national level, or the mislabeling of non‐PDO oils as PDO VOOs.
Lecithin and parabens play a crucial role in tripalmitin‐based lipid nanoparticle stabilization throughout moist heat sterilization and freeze‐drying
Authors: Mancini Guiliana , Lopes Rui M. , Clemente Pierpaolo , Raposo Sara , Gonçalves Lídia M. D. , Bica António , Ribeiro Helena M. , Almeida António J. 
Published: March 2015

The administration of lipid nanoparticles (LNP) by different routes involves technological challenges, particularly those associated with sterilization and stability. Publications suggest that the stability of LNP formulations throughout the harsh production conditions involved in pharmaceutical procedures is highly dependent on the type of surfactant used. Therefore, the capacity of tripalmitin‐based LNP to withstand moist heat sterilization and freeze‐drying has been evaluated using poly (vinyl alcohol), soya lecithin, polysorbate 20, and sodium deoxycholate as emulsion stabilizers. For comparison purposes, a formulation containing diethylene glycol monoethyl ether (Transcutol® CG) was also studied. Formulations were submitted to autoclaving (at 105 or 121°C), fractional sterilization (80 or 60°C/30 min/3 days), freeze‐drying, and stored at 5 ± 3°C for 6 months. Physical stability was evaluated using relevant parameters such as particle size, polydispersion index (PI), and ζ potential. Thermal analysis and dynamic light‐scattering studies were performed and the effect of parabens was also investigated to assess its influence on physical stability. The type of emulsifier plays a crucial role in the physical stability of LNP exposed to moist‐heat sterilization and freeze‐drying, but the inclusion of a liquid lipid had a clear stabilizing effect. Stability also improved after the addition of parabens, especially the formulation containing lecithin.Practical applications: The physical stability of LNP throughout relevant harsh processes, such as moist heat sterilization and freeze‐drying, is still an issue that needs further technological studying. Nevertheless, this work demonstrates that suitable and stable LNP may be prepared and exposed to moist heat sterilization and freeze‐drying, depending on the type of emulsifier. The use of a liquid lipid contributed to the stabilization of tripalmitin‐based LNP. Finally, formulations prepared with parabens present during emulsification were more stable than those supplemented with preservatives after preparation.The physical stability of tripalmitin lipid nanoparticles throughout pharmaceutically relevant manufacturing processes, such as moist heat sterilization and freeze‐drying was addressed. Stability depends on the presence of important components such as liquid lipids and on the type of emulsifier used. Lecithin and parabens play a crucial role in LNP stabilization throughout moist heat sterilization and freeze‐drying.
Acceleration of polymorphic transition of cocoa butter and cocoa butter equivalent by addition of d‐limonene
Authors: Miyasaki Eriksen Koji , Santos Camilia Aoyagui dos , Vieira Luana Reis , Ming Chiu Chih , Calligaris Guilherme A. , Cardoso Lisandro Pavie , Gonçalves Lireny Aparecida Guaraldo 
Published: March 2015

The essential oils obtained from citric fruits have been used as aromatizing agents in various foods. However, the addition of orange essential oil, d‐limonene, to cocoa butter (CB) has been shown to have an influence on its crystallization behavior. The objective of this study was to evaluate the influence of adding d‐limonene at concentrations of 1.5 and 5% w/w on the polymorphic transitions in Brazilian CB and in a commercial cocoa butter equivalent (CBE). X‐ray diffraction (XRD) was used to identify the polymorphic forms in the samples over 27 days of storage at 25°C. The results showed that d‐limonene addition was able to accelerate the polymorphic transition in CB and CBE. The addition of 5% w/w d‐limonene to Brazilian CB accelerated the complete transition from βV to the more stable βVI polymorphic form in only 11 days. Under the same conditions, pure CB remained in βV form and the transition was not completed in CBE samples. The polymorphic transition of CBE samples appeared to be governed by the characteristics of the triacylglycerol (TAG) profile and only intensified with d‐limonene incorporation.Practical applications: d‐Limonene is an essential oil that has been used industrially to give orange flavor in chocolate products. Our results showed that d‐limonene addition to CB and CBE accelerates the polymorphic transition from polymorphic form V to VI in a short period. As the polymorphic form VI is more stable than form V, the addition of d‐limonene to chocolates and the like allows them to keep their melting properties and sensorial quality for long storage periods.Changes of d‐spacing values and Powder X‐ray diffraction patterns of Brazilian cocoa butter and cocoa butter equivalent samples containing 5% d‐limonene stored for 27 days (4 [d4], 11 [d11], 27 [d27] days) at 25°C.
Good practices of harvest and processing provide high quality Macauba pulp oil
Authors: Nunes Angela A. , Favaro Simone P. , Galvani Fabio , Miranda Cesar H. B. 
Published: March 2015

Macauba or macaw palm (Acrocomia aculeata) has great potential for oil production in tropical American biomes. This work aimed to describe a full set of procedures to obtain high quality crude and refined pulp oil. Crude oil was extracted by forced pressing of dried, mechanically pulped fruits that were collected directly from the bunch at ripening stage. The preliminary refining process sequentially encompassed degumming, neutralization, bleaching, and deodorization. Identity and quality parameters (fatty acid composition, peroxide value, molar absorptivity at 232 and 270 nm, moisture, refractive index, saponification index, unsaponifiable matter, color, total carotenoids, and solid fat content) were determined in all steps. Crude and refined oils presented about 64% of monounsaturated acids (oleic acid) and 26% saturated acids (mostly palmitic acid). Oil composition and physicochemical characteristics were maintained after refining, rendering high quality oil, suitable for multipurpose employments, such as food processing and biodiesel production.Practical applications: Macauba palm is a widespread and high‐yield oil bearing fruit from tropical America that is being domesticated in Brazil. A whole processing of the pulp oil, including fruits from harvest and postharvest, was developed at lab scale to render suitable oil for food and biofuels usages. Going forward, the procedures could be scaled up and the cost effectiveness must be evaluated. The rendered crude and refined oils showed low acidity implying that the synthesis of biodiesel by the traditional and most used alkaline transesterification route is suitable for this raw material. Macauba pulp oil features a high amount of oleic acid, which is a desirable characteristic for the food and biofuel sectors because of the stability against oxidation provided by the monounsaturated fatty acids. The composition of fatty acids, potentially allows the generation of two fractions, olein and stearin, which broads its usages.Good practices of harvesting, processing fruits, and refining, resulted in high oleic quality macauba pulp oil that complies with most standard requirements for crude and refined edible oils.
A linker approach to phospholipopeptides
Authors: Li Bonan , Liang Jun F. 
Published: March 2015

Peptides and phospholipids are important macromolecules in both the chemistry and biology fields, but phospholipopeptides are barely found in nature and have not been studied. Here, we report a novel and efficient approach to the synthesis of phospholipidpeptides. By utilizing cross‐linkers, phospholipopeptides from peptides with varied sequences and lengths were produced from phosphatidylethanolamine at high (>90%) yield, mild conditions and good applied scopes for multiple substrates. Synthetic phospholipopeptides containing bioactive peptide sequences may serve as therapeutics for a wide range of biomedical applications.Practical applications: Phospholipopeptides are prone to hydrolysis by the endogenous phospholipase activity in cells. Synthetic phospholipopeptides containing a bioactive peptide sequences may serve as therapeutics for a wide range of biomedical applications.Cysteine‐containing peptides of varied sequences and lengths were linked to the heads of phosphatidylethanolamine through the amino group to form phospholipopeptides.
GplusE: beyond genomic selection
Authors: Mackay Ian , Ober Eric , Hickey John 
Published: March 2015

AbstractGplusE is a strategy for genomic selection in which the accuracy of assessment in the reference population for a primary trait such as yield is increased by the incorporation of data from high‐ throughput field phenotyping platforms. This increase in precision comes from both exploiting genetic relationships between traits and reducing the effect of environmental influences upon them. We describe a collaborative project among researchers and breeders to develop a large reference population of elite UK wheat lines. This will be used to test the method, to study the design of the reference population, and to test genotyping strategies and imputation methods. Finally, it will provide data to pump‐prime the application of genomic selection to UK winter wheat breeding.