bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis and First Studies of the Host–Guest and Substrate Recognition Properties of a Porphyrin‐Tethered Calix[6]arene Ditopic Ligand
Authors: Monnereau Cyrille , Rebilly Jean‐Noël , Reinaud Olivia 
Published: November 2010

AbstractThe synthesis and first host–guest investigations of a (Zn)porphyrin‐tethered calixarene are described. The target compound was obtained by selective copper‐catalyzed alkyne/azide cycloaddition at one position of a tris‐azide‐substituted calixarene using an alkyne‐functionalized (Zn)porphyrin. After the complexation of zinc to the tris‐imidazole site of the modified calixarene, the heteroditopic receptor showed a strong affinity for primary alkylamines, which formed host–guest complexes within the cavity. This process is in competition with the binding of the amine at the apical coordination site of the (Zn)porphyrin. The use of a diamine (primary) with a C12 aliphatic chain led to the formation of a heteroditopic complex, as evidenced by NMR and UV/Vis spectroscopy. This highlights the possibility of generating cooperative interactions between the three “actors” of the complex (calixarene <> guest <> porphyrin), a feature of great interest as it is reminiscent of the interactions governing enzymatic catalysis (recognition pocket <> substrate <> reactive center).
Total Synthesis and Biological Evaluation of the Fab‐Inhibitory Antibiotic Platencin and Analogues Thereof
Authors: Leung Gulice Y. C. , Li Hao , Toh Qiao‐Yan , Ng Amelia M.‐Y. , Sum Rong Ji , Bandow Julia E. , Chen David Y.‐K. 
Published: November 2010

AbstractIn this article, application of the masked o‐benzoquinone intramolecular Diels–Alder reaction in the total synthesis of platencin (2), a recently reported Fab inhibitory antibiotic, is described. Through intelligence gathering, the evolving strategies ultimately culminated in three syntheses of the tricyclic core structure 11 of platencin (2). The influence of the remote stereocenter(s) in the diastereoselectivity of the intramolecular Diels–Alder reaction was investigated, together with a remarkable additive effect in drastically improving the diastereoselectivity of the intramolecular Diels–Alder reaction of the dienone 17. The synthetic technology developed was further applied to the preparation of rationally designed analogues, based on the hypothesized FabF/FabH selectivity model. Antibacterial studies of platencin (2) and of the synthesized analogues 3–9 against a panel of normal and resistant strains are also reported.
Methane emissions from biogas‐producing facilities within the agricultural sector
Authors: Liebetrau Jan , Clemens Joachim , Cuhls Carsten , Hafermann Carsten , Friehe Jörg , Weiland Peter , Daniel‐Gromke Jaqueline 
Published: November 2010

AbstractThe emissions of ten representative agricultural biogas plants located in Germany were investigated to generate a comprehensive inventory of greenhouse gas emissions that occur within the biogas production process. The main methane emission sources were identified by a site inspection with a portable flame ionization detector. Whenever possible, the released amount of methane was quantified by installing a chamber around the identified sources. The chamber was flushed with air, and the values of the flow rate and the measured concentrations in the exhaust allowed the determination of the methane emissions. The two main sources of emissions turned out to be the digestate storage tanks when constructed without a sealed cover and the cogeneration unit. In some cases, improper handling of equipment within the gas‐filled digester headspaces and pipes caused substantial emissions. The results will be used for a comprehensive life cycle assessment of the biogas production process. Finally, sufficient measures for a substantial reduction of emissions will be developed.
Comparing environmental impacts of electricity, heat and fuel from energy crops: Evaluating biogas utilization pathways by the basket of benefit methodology
Authors: Bystricky Maria , Knödlseder Tobias , Weber‐Blaschke Gabriele , Faulstich Martin 
Published: November 2010

AbstractSince the potentially available agricultural land for energy crop cultivation is limited, the area should be used in a sustainable and efficient way. In this project, the “basket of benefit” methodology, a special life‐cycle assessment approach, is used to calculate emissions of different bioenergy pathways, related to 1 ha of agricultural land. The method comprises both land use and energy output in one functional unit and enables a comparison in spite of the different “end use” (electricity, heat, and fuels). In this article, environmental impacts of different utilization pathways of biogas from energy crops are assessed. Decentralized electricity and heat production in a cogeneration plant is compared with feeding purified biomethane into the gas grid for centralized electricity and heat production, and to the usage as transportation fuel. Similarly, biogas is compared with biodiesel from rapeseed and bioethanol from sugar beet. Calculations are based on the conditions in south‐east Germany. Results for the impact categories global warming potential and eutrophication potential are presented. Regarding greenhouse gas emissions, the results are heterogeneous: Biogas shows fewer emissions than biodiesel and bioethanol only if a big proportion of the generated heat is consumed. Biogas use as biofuel can be rated similar to the use of the other biofuels. Due to the application of digestates as fertilizer, biogas exhibits a higher eutrophication potential than the other bioenergy carriers. At the moment, more bioenergy pathways, as well as additional impact categories, are being included into the analysis.
Preliminary analysis of a soft‐storey mechanism after the 2009 L'Aquila earthquake
Authors: Verderame Gerardo M. , De Luca Flavia , Ricci Paolo , Manfredi Gaetano 
Published: November 2010

AbstractObservation of damage caused by the recent Abruzzo earthquake on April 6th 2009 showed how local interaction between infills and RC structures can lead to soft‐storey mechanisms and brittle collapses. Results of the present case study are based on observed damage caused by the earthquake in the zone of Pettino. Analytical model based on simulated design procedure was built up and time history analyses were employed to verify the causes of the structural collapse, as highlighted by observed damage. This failure mechanism was investigated taking into consideration all components of the ground motion. Nonlinear behavior of brick masonry infills was taken into account and two parametric hypotheses for infill mechanical properties were considered, given the uncertainties that typically characterize these nonstructural elements. Nonlinear modeling of infills was made by a three‐strut macro‐model aimed at considering both local and global interaction between RC frame and infills. Seismic input was characterized by the real signal registered during the mainshock near the case‐study structure. Different shear capacity models were considered in the assessment.Analytical results seem to confirm with good approximation the likely collapse scenario that damage observation highlighted; the lack of proper detailing in the columns made the local interaction between infills and RC columns and the strong vertical component of the ground motion to be the main causes of the brittle failure. Copyright © 2010 John Wiley & Sons, Ltd.
Material properties and external factors influencing the charring rate of solid wood and glue‐laminated timber
Authors: Friquin Kathinka Leikanger 
Published: November 2010

AbstractIn fire design of timber structures the charring rate of the material is a very important property, but the charring rate varies with the conditions in the fire compartment and the characteristics of the wood. Many experiments have been carried out through the years, trying to determine the effect of various properties on the charring rate of wood. This paper gives a summary of the material properties and external factors found in the literature to have the largest influence on the charring rate of exposed wood, i.e. the density, moisture content, chemical composition, grain orientation, permeability, scale effect, thermal exposure, char contraction, char oxidation, oxygen concentration and opening factor, resulting from experiments found in the literature. It has not been possible to determine which properties or factors have the most significant influence on the charring rate of wood, due to large differences between the test conditions and methods, wood species and measurement methods. There is a great need for further testing to determine the relative effect of these properties and factors, and international test methods need to be developed to enable comparison of results from research all over the world. More information about the most important properties and factors can help standardise the calculation of charring of wood, and improve the input to computer models for fire safety design. This will result in more economic fire design of wooden structures, as the calculated residual cross sections will be closer to reality. Copyright © 2010 John Wiley & Sons, Ltd.
Numerical simulations of polymer pyrolysis rate: Effect of property variations
Authors: Linteris G. T. 
Published: November 2010

AbstractThe mass loss rate (MLR) of poly(methyl methacrylate) (PMMA) exposed to known radiant fluxes is simulated with two recently developed numerical codes, the National Institute of Standards and Technology (NIST) Fire Dynamics Simulator (FDS) and the Federal Aviation Administration (FAA) ThermaKin. The influence of various material properties (thickness, thermal conductivity, specific heat, absorption of infrared radiation, heat of reaction) on mass loss history is assessed, via their effect on the ignition time, average MLR, peak MLR, and time to peak. The two codes predict the influence of material parameters on the MLR in the order of decreasing importance: heat of reaction, thickness, specific heat, absorption coefficient, thermal conductivity, and activation energy of the polymer decomposition. Changes in the material properties also influence the MLR curves by switching the sample from thermally thick to thermally thin. The two numerical codes are generally in very good agreement for their predictions of the MLR vs time curves, except when in‐depth absorption of radiation was important. Copyright © 2010 John Wiley & Sons, Ltd.
Rehydration activity of hydrated cement paste exposed to high temperature
Authors: Xuan D. X. , Shui Z. H. 
Published: November 2010

AbstractSubjected to the wet surrounding, hydrated cement paste (HCP) exposed to high temperature may exhibit rehydration behavior. This paper presents the influence of the dehydration temperature and the initial water/cement ratio on the rehydration activity of dehydrated cement paste (DCP). Original HCPs were prepared with two water/cement ratios of 0.3 and 0.5, respectively, and cured under the fog‐spraying standard condition for 30thinspacedays. The DCP powders used were obtained by grinding dry HCP less than 75µm and then subjecting to different temperatures, up to 900∘C. The rehydration properties of DCP were evaluated by the required water for standard consistency, the setting time, the rehydrated compressive strength and the microstructure evolution. X‐ray diffraction (XRD) was employed to identify the crystalline phases before and after rehydration. Experimental results showed that the coupled rehydration effect from the dehydrated hydration products and the initially unhydrated cement determined the rehydration behavior of DCP. The rehydration of DCP strongly depended on the dehydration temperature and the water/cement ratio of the original HCP. Copyright © 2010 John Wiley & Sons, Ltd.
Determining aroma‐active compounds in Kama flour using SPME‐GC/MS and GC–olfactometry
Authors: Kaseleht Kristel , Leitner Erich , Paalme Toomas 
Published: November 2010

AbstractKama flour is a traditional Estonian food, consisting of a newly milled powder mixture of roasted barley, rye, wheat and pea flour. For consumption it is normally mixed with sour milk and sweetened with sugar. In this study the aroma profile of Kama flour was studied. For the analysis, the solid‐phase microextraction (SPME) method was optimized and used in combination with gas–chromatography/mass spectrometry (GC/MS) and GC–olfactometry (GCO), where the human nose is used as a sensitive and specific detector for odour‐active compounds. For a positive identification of the aroma‐active compounds, calculation of retention indices combined with the odour impression of pure reference compounds in a comparable concentration, and the mass spectrum under the same conditions as GC‐O were used. The analysis of Kama flour headspace by GC/MS led to the detection of 89 compounds, of which 62 were found to have odour impression according to the literature. However, in total, 30 odour‐active compounds were detected with GCO from which seven could not be detected under the same chromatographic conditions either by GC/MS or GC with FID. Most of the identified aroma compounds belonged to pyrazines coming from roasting process of Kama flour due to the Maillard reaction. Additionally, 2,3‐butadedione, hexanal and 1‐octen‐3‐one contributed to the aroma of Kama flour. Copyright © 2010 John Wiley & Sons, Ltd.
Depositional and Paleoenvironmental setting of the Bizat Ruhama early pleistocene archaeological assemblages, Northern Negev, Israel: A microstratigraphic perspective
Authors: Mallol Carolina , VanNieuwenhuyse Dorcas , Zaidner Yossi 
Published: November 2010

AbstractBizat Ruhama, an Early Pleistocene site located in the southern coastal plain of Israel, has yielded a single archaeological horizon dating to the Matuyama chron. Recent technological and zooarchaeological studies suggest evidence of near in situ hominin occupations taking place in a semiarid climatic setting. Such an archaeological context is rare for the Early Pleistocene and must be corroborated through reconstruction of site formation processes. This paper offers a microstratigraphic view of the site based on results from a micromorphological and granulometric study aimed at reconstructing site formation processes. Results show that the bone and lithic specimens were deposited near their excavated provenience, in a depressed, seasonally waterlogged area, and were subsequently slightly displaced and buried by surface sediment. We infer that the Bizat Ruhama deposit represents one or a few hominin occupations taking place on the surface of an undulating inter‐dune depression under a semiarid Mediterranean climate. © 2010 Wiley Periodicals, Inc.
Impacts of sediment load on Manning coefficient in supercritical shallow flow on steep slopes
Authors: Zhang Guang‐hui , Luo Rong‐ting , Cao Ying , Shen Rui‐chang , Zhang X. C. 
Published: November 2010

AbstractThe Manning equation is one of the most widely used formulae for calculating the velocity of shallow overland flow in hydrological and erosion models. Precise estimation of the Manning's friction coefficient (n) is critical to determining overland flow and soil erosion processes. Few studies have been conducted to quantify the effects of sediment load on Manning's n on steep slopes. This study was conducted to investigate the potential effects of sediment load on Manning's n in a flume with a fixed bed, under wide ranges of hydraulics and sediment loads. Slope gradient varied from 8·7 to 34·2%, unit flow rate from 0·66 to 5·26 × 10−3 m2 s−1, and sediment load from 0 to 6·95 kg m−1 s−1. The Reynolds number ranged from 350 to 5899. Results showed that Manning's n varied in both sediment‐free and sediment‐laden flows ranging from 0·012 to 0·055. The apparent Manning's coefficients of sediment‐laden flow were much greater than those of sediment‐free flow. The mean Manning coefficient of sediment‐laden flow was 51·27% greater than the mean value of sediment‐free flow. For sediment‐laden flow, Manning's n could be estimated with a power function of unit flow discharge and sediment content. Further studies are needed to quantify the potential effects of sediment load on the Manning's n on erodible beds and in fields. Copyright © 2010 John Wiley & Sons, Ltd.
Stormwater quantity and quality response to climate change using artificial neural networks
Authors: He Jianxun , Valeo Caterina , Chu Angus , Neumann Norman F. 
Published: November 2010

AbstractThis research investigates the potential impacts of climate change on stormwater quantity and quality generated by urban residential areas on an event basis in the rainy season. An urban residential stormwater drainage area in southeast Calgary, Alberta, Canada is the focus of future climate projections from general circulation models (GCMs). A regression‐based statistical downscaling tool was employed to conduct spatial downscaling of daily precipitation and daily mean temperature using projection outputs from the coupled GCM. Projected changes in precipitation and temperature were applied to current climate scenarios to generate future climate scenarios. Artificial neural networks (ANNs) developed for modelling stormwater runoff quantity and quality used projected climate scenarios as network inputs. The hydrological response to climate change was investigated through stormwater runoff volume and peak flow, while the water quality responses were investigated through the event mean value (EMV) of five parameters: turbidity, conductivity, water temperature, dissolved oxygen (DO) and pH. First flush (FF) effects were also noted. Under future climate scenarios, the EMVs of turbidity increased in all storms except for three events of short duration. The EMVs of conductivity were found to decline in small and frequent storms (return period < 5 years); but conductivity EMVs were observed to increase in intensive events (return period ≥ 5 years). In general, an increasing EMV was observed for water temperature, whereas a decreasing trend was found for DO EMV. No clear trend was found in the EMV of pH. In addition, projected future climate scenarios do not produce a stronger FF effect on dissolved solids and suspended solids compared to that produced by the current climate scenario. Copyright © 2010 John Wiley & Sons, Ltd.
Evaluating Duero's basin (Spain) response to the NAO phases: spatial and seasonal variability
Authors: Morán‐Tejeda Enrique , Ignacio López‐Moreno , Antonio Ceballos‐Barbancho , Sergio M. Vicente‐Serrano 
Published: November 2010

AbstractIn this study, we analysed the influence of the North Atlantic Oscillation (NAO) on the hydrological response of the Duero River (central Spain) and its tributaries. We identified the positive and negative phases of the winter NAO for the period 1961–2006 and related precipitation and river discharge anomalies. Significant differences in precipitation and river discharge were found between the positive and negative NAO phases with negative anomalies (dry conditions) during positive NAO periods, and positive anomalies (wet conditions) during negative NAO periods. Marked differences were also found in the precipitation and river discharge response times to the NAO episodes, with an immediate response for precipitation but a lag and more sustained response for river discharges. Differing patterns were also identified in the response of river discharge to the NAO throughout the Duero basin. The physical characteristics of watersheds (including area, altitude and permeability explained most of the differences in the timing and magnitude of anomalies in the river discharge in response to the NAO. The findings highlight the great variability in the hydrological response of rivers to the NAO episodes. Copyright © 2010 John Wiley & Sons, Ltd.
Fluctuation of groundwater in an urban coastal city of India: a GIS‐based approach
Authors: Vijay Ritesh , Sharma Abhinav , Ramya S. S. , Gupta Apurba 
Published: November 2010

AbstractGroundwater is the most important and valuable natural resources especially in coastal urban environment where surface water is insufficient to satisfy the water requirement. Puri city is located on the east coast of India where groundwater is the only source available to meet city water supply. As the city is situated on the sandy aquifer, quality of groundwater is deteriorating because of anthropogenic activities, lack of sewerage system, etc. The objective of the study was to assess the groundwater fluctuation during post‐monsoon and summer with respect to hydrogeological conditions, topography, and groundwater consumption pattern of the city. For this assessment and analysis, Geographic Information System (GIS) was used to visualize topography of the area through digital elevation model (DEM) and distribution of groundwater contours spatially and temporally. The probable areas prone to contamination were identified based on aquifer property and depths to water table below ground. Copyright © 2010 John Wiley & Sons, Ltd.
Interpersonal problems: self‐therapist agreement and therapist consensus
Authors: Pedersen G. , Hagtvet K.A. , Karterud S. 
Published: November 2010

AbstractThis study investigated patient‐therapist agreement and therapist consensus of patients' interpersonal problems. The sample comprised 199 patients, who answered a questionnaire addressing interpersonal problems. At the same time, each patient was rated by two therapists on an observer version of the same questionnaire. The participants came from 10 different treatment units within the Norwegian Network of Personality‐Focused Treatment Programs. Interpersonal problems were measured by a short version of the Inventory of Interpersonal Problems—Circumplex (IIP‐C). The results of both patient‐therapist agreements and therapist consensus of patients' interpersonal problems was low to moderate. The therapists perceived the patients to have somewhat higher levels of interpersonal problems than the patients reported, although the profile similarity between self‐reports and observer reports was high. Some gender differences were revealed, but in terms of self‐therapist agreement, no interaction with the therapists' length of clinical experience or acquaintance with the patient was found. © 2010 Wiley Periodicals, Inc. J Clin Psychol 00:1–10, 2010.