bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and evaluation of a new soil moisture and runoff parameterization for the CABLE LSM including subgrid‐scale processes
Authors: Decker Mark 
Published: October 2015

AbstractNew conceptual parameterizations of subgrid‐scale soil moisture, runoff generation, and groundwater are developed and tested in the offline version of the Community Atmosphere and Biosphere Land Exchange (CABLE) model. These developments are designed to address a known bias in CABLE: the excess simulation of mean evapotranspiration over most of the Northern Hemisphere and over most vegetation types at global scales. The inclusion of subgrid‐scale soil moisture parameterizations and runoff generation processes largely mitigates the overestimation of evapotranspiration, and simultaneously improves the simulation of mean runoff. There are also pronounced improvements in total water storage anomalies as compared to various observationally derived estimates. It is shown that surface and subsurface runoff generation resulting from subgrid‐scale soil moisture heterogeneity is necessary to accurately simulate the mean observed runoff and evapotranspiration. Surface runoff generation is largely responsible from reducing the mean evapotranspiration bias north of 30°N. We note that the inability of previous CABLE evaluation studies to demonstrate the need for subgrid‐scale heterogeneity is likely due to only testing at flux tower site scales. Evaluating land models at point scale and catchment scale across a large range of climate and vegetation types is necessary to evaluate the contributions of processes that influence the model at various spatial scales. Flux tower data are therefore a necessary but insufficient constraint on land surface models.
Ligand Controlled Regiodivergent C1 Insertion on Arynes for Construction of Phenanthridinone and Acridone Alkaloids
Authors: Feng Minghao , Tang Bingqing , Wang Nengzhong , Xu Hong‐Xi , Jiang Xuefeng 
Published: October 2015

AbstractA palladium‐catalyzed regiodivergent C1 insertion multicomponent reaction involving aryne, CO, and 2‐iodoaniline is established to construct the scaffolds of phenanthridinone and acridone alkaloids. Regioselective control is achieved under the guidance of selective ligands. The phenanthridinones are solely obtained under ligand‐free condition. In comparison, application of the electron‐abundant bidentate ligand dppm afforded the acridones with high efficiency. The release rate of the aryne from the precursor assists the regioselectivity of insertion as well, which was revealed through interval NMR tracking. A plausible mechanism was suggested based on the control experiments. Representative natural products and two types of natural product analogues were synthesized divergently through this tunable method.
Ancient Human Bone Microstructure in MedievalEngland: Comparisons between Two Socio‐Economic Groups
Authors: Miszkiewicz Justyna J. , Mahoney Patrick 
Published: October 2015

ABSTRACTUnderstanding the links between bone microstructure and human lifestyle is critical for clinical and anthropological research into skeletal growth and adaptation. The present study is the first to report correspondence between socio‐economic status and variation in bone microstructure in ancient humans. Products of femoral cortical remodeling were assessed using histological methods in a large human medieval sample (N = 450) which represented two distinct socio‐economic groups. Osteonal parameters were recorded in posterior midshaft femoral sections from adult males (N = 233) and females (N = 217). Using univariate and multivariate statistics, intact, fragmentary, and osteon population densities, Haversian canal area and diameter, and osteon area were compared between the two groups, accounting for sex, age, and estimated femoral robusticity. The size of osteons and their Haversian canals, as well as osteon density, varied significantly between the socio‐economic groups, although minor inconsistencies were observed in females. Variation in microstructure was consistent with historical textual evidence that describes differences in mechanical loading and nutrition between the two groups. Results demonstrate that aspects of ancient human lifestyle can be inferred from bone microstructure. Anat Rec, 299:42–59, 2016. © 2015 Wiley Periodicals, Inc.
Staying on‐track despite the odds: Factors that assist young people facing adversity to continue with their education
Authors: Sanders Jackie , Munford Robyn , Thimasarn‐Anwar Tewaporn 
Published: October 2015

This article draws on the findings from a mixed‐methods New Zealand study of the experience of service use of 605 vulnerable young people (aged 13–17 years). Drawing on the survey data, it focuses on the factors that assisted young people to stay on‐track with their education. Key findings include: being able to stay at mainstream school was the strongest predictor of capacity to stay on‐track. Additional educational services did not appear to contribute directly to positive educational outcomes. There was a direct relationship between involvement with mental health services and the capacity of these vulnerable youths to stay on‐track. Better integration between educational, welfare, and justice providers may yield better educational outcomes for these youths. Relational resources from domains such as friendship, family and community activities enhance young people's capacities to stay engaged and achieving in education. However, not every positive relational resource produces a positive educational gain. For this reason, it is important that educational and other professionals carefully examine these domains (friends, family and community) to identify which of these has the potential to assist with educational engagement and then work to maximise the benefits for youths.
Enhanced hydrolysis of lignocellulosic biomass: Bi‐functional enzyme complexes expressed in Pichia pastoris improve bioethanol production from Miscanthus sinensis
Authors: Shin Sang Kyu , Hyeon Jeong Eun , Kim Young In , Kang Dea Hee , Kim Seung Wook , Park Chulhwan , Han Sung Ok 
Published: October 2015

AbstractLignocellulosic biomass is the most abundant utilizable natural resource. In the process of bioethanol production from lignocellulosic biomass, an efficient hydrolysis of cellulose and hemicellulose to release hexose and pentose is essential. We have developed a strain of Pichia pastoris that can produce ethanol via pentose and hexose using an assembly of enzyme complexes. The use of enzyme complexes is one of the strategies for effective lignocellulosic biomass hydrolysis. Xylanase XynB from Clostridium cellulovorans and a chimeric endoglucanase cCelE from Clostridium thermocellum were selected as enzyme subunits, and were bound to a recombinant scaffolding protein mini‐CbpA from C. cellulovorans to assemble the enzyme complexes. These complexes efficiently degraded xylan and carboxymethylcellulose (CMC), producing approximately 1.18 and 1.07 g/L ethanol from each substrate, respectively, which is 2.3‐fold and 2.7‐fold higher than that of the free‐enzyme expressing strain. Miscanthus sinensis was investigated as the lignocellulosic biomass for producing bioethanol, and 1.08 g/L ethanol was produced using our recombinant P. pastoris strain, which is approximately 1.9‐fold higher than that of the wild‐type strain. In future research, construction of enzyme complexes containing various hydrolysis enzymes could be used to develop biocatalysts that can completely degrade lignocellulosic biomass into valuable products such as biofuels.
Natural isotope correction of MS/MS measurements for metabolomics and 13C fluxomics
Authors: Niedenführ Sebastian , ten Pierick Angela , van Dam Patricia T.N. , Suarez‐Mendez Camilo A. , Nöh Katharina , Wahl S. Aljoscha 
Published: October 2015

ABSTRACTFluxomics and metabolomics are crucial tools for metabolic engineering and biomedical analysis to determine the in vivo cellular state. Especially, the application of 13C isotopes allows comprehensive insights into the functional operation of cellular metabolism. Compared to single MS, tandem mass spectrometry (MS/MS) provides more detailed and accurate measurements of the metabolite enrichment patterns (tandem mass isotopomers), increasing the accuracy of metabolite concentration measurements and metabolic flux estimation. MS‐type data from isotope labeling experiments is biased by naturally occurring stable isotopes (C, H, N, O, etc.). In particular, GC–MS(/MS) requires derivatization for the usually non‐volatile intracellular metabolites introducing additional natural isotopes leading to measurements that do not directly represent the carbon labeling distribution. To make full useof LC‐ and GC–MS/MS mass isotopomer measurements, the influence of natural isotopes has to be eliminated (corrected). Our correction approach is analyzed for the two most common applications; 13C fluxomics and isotope dilution mass spectrometry (IDMS) based metabolomics. Natural isotopes can have an impact on the calculated flux distribution which strongly depends on the substrate labeling and the actual flux distribution. Second, we show that in IDMS based metabolomics natural isotopes lead to underestimated concentrations that can and should be corrected with a nonlinear calibration. Our simulations indicate that the correction for natural abundance in isotope based fluxomics and quantitative metabolomics is essential for correct data interpretation. Biotechnol. Bioeng. 2016;113: 1137–1147. © 2015 Wiley Periodicals, Inc.
Inactivation of nitrate reductase alters metabolic branching of carbohydrate fermentation in the cyanobacterium Synechococcus sp. strain PCC 7002
Authors: Qian Xiao , Kumaraswamy G. Kenchappa , Zhang Shuyi , Gates Colin , Ananyev Gennady M. , Bryant Donald A. , Dismukes G. Charles 
Published: October 2015

ABSTRACTTo produce cellular energy, cyanobacteria reduce nitrate as the preferred pathway over proton reduction (H2 evolution) by catabolizing glycogen under dark anaerobic conditions. This competition lowers H2 production by consuming a large fraction of the reducing equivalents (NADPH and NADH). To eliminate this competition, we constructed a knockout mutant of nitrate reductase, encoded by narB, in Synechococcus sp. PCC 7002. As expected, ΔnarB was able to take up intracellular nitrate but was unable to reduce it to nitrite or ammonia, and was unable to grow photoautotrophically on nitrate. During photoautotrophic growth on urea, ΔnarB significantly redirects biomass accumulation into glycogen at the expense of protein accumulation. During subsequent dark fermentation, metabolite concentrations—both the adenylate cellular energy charge (∼ATP) and the redox poise (NAD(P)H/NAD(P))—were independent of nitrate availability in ΔnarB, in contrast to the wild type (WT) control. The ΔnarB strain diverted more reducing equivalents from glycogen catabolism into reduced products, mainly H2 and d‐lactate, by 6‐fold (2.8% yield) and 2‐fold (82.3% yield), respectively, than WT. Continuous removal of H2 from the fermentation medium (milking) further boosted net H2 production by 7‐fold in ΔnarB, at the expense of less excreted lactate, resulting in a 49‐fold combined increase in the net H2 evolution rate during 2 days of fermentation compared to the WT. The absence of nitrate reductase eliminated the inductive effect of nitrate addition on rerouting carbohydrate catabolism from glycolysis to the oxidative pentose phosphate (OPP) pathway, indicating that intracellular redox poise and not nitrate itself acts as the control switch for carbon flux branching between pathways. Biotechnol. Bioeng. 2016;113: 979–988. © 2015 Wiley Periodicals, Inc.
Pseudomorphic Generation of Supported Catalysts for Glycerol Oxidation
Authors: Deng Xiaohui , Dodekatos Georgios , Pupovac Kristina , Weidenthaler Claudia , Schmidt Wolfgang N. , Schüth Ferdi , Tüysüz Harun 
Published: October 2015

AbstractA catalyst consisting of copper nanoparticles (15–20 nm in size) supported on ordered mesoporous cobalt monoxide was synthesized by the one‐step reduction of ethanol from nanocast copper cobalt spinel oxides. The small‐angle X‐ray scattering patterns showed that the ordered mesostructure was maintained after post‐treatment, and the cross‐section scanning electron microscopy images showed that the Cu nanoparticles were distributed homogeneously throughout the mesoporous CoO framework. The materials were tested as noble‐metal‐free catalysts for the oxidation of glycerol under alkaline conditions. The catalytic data showed that the presence of Cu nanoparticles greatly enhanced the catalytic performance.
Production Rate‐Dependent Key Performance Indicators for a Systematic Design of Biochemical Downstream Processes
Authors: Brandt Katrin , Schembecker Gerhard 
Published: October 2015

AbstractKey performance indicators have become a common tool in bioprocess development, as they allow an objective and independent rating and ranking of process alternatives screened. A disadvantage of all key performance indicators developed so far is their strong focus on costs, which makes them neglect the influence of the production rate on the profit of the process. But, since both production costs and production rate have an equally strong impact, both should be considered when decisions have to be made. Therefore, two new key performance indicators are introduced in this work, one for batch and one for continuous processing. They combine product yield, purity performance, variable manufacturing costs, and production rate to one objective. Thereby, misguided trade‐offs between these four individual measures can be replaced by one key performance indicator. This ensures a systematic development of biochemical downstream processes.
Heterogeneous Catalytic Polymerization of Ethylene in Microtubular Reactor Systems
Authors: Mahadevan Meera , Lee Sangyool , Dessiatoun Serguei V. , Ohadi Michael , Al Hajri Ebrahim , Choi Kyu Yong 
Published: October 2015

AbstractThe feasibility of using a microtubular reactor for heterogeneous polymerization of ethylene was investigated experimentally. Chemically inert polymer tubing of 800–2300 μm in inner diameter was fabricated and used as a polymerization reactor. Nonporous silica nanoparticles with a diameter of 400 nm were synthesized and used as support for the high‐activity rac‐ethylene(indenyl)2ZrCl2 catalyst with methylaluminoxane as cocatalyst and toluene as diluent. Large‐diameter microtubular reactors were also successfully used to conduct heterogeneous polymerization of ethylene in continuous reaction operations. High initial catalyst activity was obtained and the overall polymerization activity per volume or reactor length was quite high. No particle fragmentation occurred and the polymer particles were covered with small subgrains or nanofibrils with a diameter of 30 nm.
Electrochemical Abatement of Organic Pollutants in Continuous‐Reaction Systems through the Assembly of Microfluidic Cells in Series
Authors: Sabatino Simona , Galia Alessandro , Scialdone Onofrio 
Published: October 2015

AbstractThe electrochemical treatment of wastewater contaminated by organic pollutants was performed under a continuous mode by using, for the first time, various micro‐electrochemical cells in series. A synthetic solution of acid orange 7 (AO7), a largely used azoic dye, was chosen as model wastewater. Both the electro‐Fenton (EF) method with a cheap compact graphite cathode and electrochemical oxidation (EO) at a boron‐doped diamond (BDD) anode were used. EO gave higher abatement of total organic carbon (TOC), but drastically higher energetic consumptions than EF. It is worth mentioning that very different operating conditions were set for EF and EO to optimize their performances. The utilization of three cells in series, all working with EO, allowed an increase in the abatement, but gave rise to quite high energetic consumptions. Conversely, in the case of EF, the utilization of three reactors in series gave rise to a slight increase in the abatement of the TOC, because of the formation of products that are resistant to EF. The utilization of two reactors in series, devoted respectively to EF and EO, each working at optimized operating conditions, gave very good figures of merit in terms of the abatement of TOC and energetic consumption. In particular, high abatement of TOC coupled with drastically lower energetic consumptions than that achieved by the sole EO process were obtained. The effects of current density, flow rate, and initial concentration of AO7 on the process were investigated.
Combination of Optimization and Metalated‐Ligand Exchange: An Effective Approach to Functionalize UiO‐66(Zr) MOFs for CO2 Separation
Authors: Hu Zhigang , Faucher Samuel , Zhuo Yingying , Sun Yao , Wang Songnan , Zhao Dan 
Published: October 2015

AbstractThe strategy to functionalize water‐stable metal–organic frameworks (MOFs) in order to improve their CO2 uptake capacities for efficient CO2 separation remains limited and challenging. We herein present an effective approach to functionalize a prominent water‐stable MOF, UiO‐66(Zr), by a combination of optimization and metalated‐ligand exchange. In particular, by systematic optimization, we have successfully obtained UiO‐66(Zr) of the highest BET surface area reported so far (1730 m2 g−1). Moreover, it shows a hybrid Type I/IV N2 isotherm at 77 K and a mesopore size of 3.9 nm for the first time. The UiO‐66 MOF underwent a metalated‐ligand‐exchange (MLE) process to yield a series of new UiO‐66‐type MOFs, among which UiO‐66‐(COONa)2‐EX and UiO‐66‐(COOLi)4‐EX MOFs have both enhanced CO2 working capacity and IAST CO2/N2 selectivity. Our approach has thus suggested an alternative design to achieve water‐stable MOFs with high crystallinity and gas uptake for efficient CO2 separation.
Enantioselective Guest Effect on the Spin State of a Chiral Coordination Framework
Authors: Gural'skiy Il'ya A. , Kucheriv Olesia I. , Shylin Sergii I. , Ksenofontov Vadim , Polunin Ruslan A. , Fritsky Igor O. 
Published: October 2015

AbstractThe diversity of spin crossover (SCO) complexes that, on the one hand, display variable temperature, abruptness and hysteresis of the spin transition, and on the other hand, are spin‐sensitive to the various guest molecules, makes these materials unique for the detection of different organic and inorganic compounds. We have developed a homochiral SCO coordination polymer with a spin transition sensitive to the inclusion of the guest 2‐butanol, and these solvates with (R)‐ and (S)‐alcohols demonstrate different SCO behaviours depending on the chirality of the organic analyte. A stereoselective response to the guest inclusion is detected as a shift in the temperature of the transition both from dia‐ to para‐ and from para‐ to diamagnetic states in heating and cooling modes respectively. Furthermore, the Mössbauer spectroscopy directly visualizes how the metallic centres in a chiral coordination framework differently sense the interaction with guests of different chiralities.
Theoretical and experimental investigations of dynamics of bubble growth and triple line
Authors: Vafaei Saeid 
Published: October 2015

AbstractThe dynamics of triple line and bubble growth were investigated inside water, gold, silver, and alumina nanofluids. The presence of nanoparticles was found to modify the behaviour of the triple line, depending on nanoparticle materials. Two analytical expressions were developed, one for the contact angle of bubbles and another for the contact angle of droplets, using force balance in the horizontal direction. It was mathematically proven that these analytical expressions are the exact analytical solutions of the Young‐Laplace equation. These analytical expressions prove that the Young equation cannot be an accurate force balance at the triple line for axisymmetric bubbles and droplets. The analytical expressions predict the contact angle of bubbles and droplets and prove theoretically that the contact angles of axisymmetric bubbles and droplets depend on volume or size, which agreed with existing experimental data. The predictions of the analytical expressions were compared with experimental data, and close agreements were observed. To reduce uncertainty and error, these two analytical expressions can be used instead of the Young equation, particularly in CFD calculations, to predict the behaviour of triple line or fluid flow in the vicinity of substrate for droplets and bubbles.
Breast conservation versus mastectomy for patients with T3 primary tumors (>5 cm): A review of 5685 medicare patients
Authors: Bleicher Richard J. , Ruth Karen , Sigurdson Elin R. , Daly John M. , Boraas Marcia , Anderson Penny R. , Egleston Brian L. 
Published: October 2015

BACKGROUNDAlthough breast conservation therapy (BCT) is standard for breast cancer treatment, patients with tumors measuring >5 cm have been excluded from clinical trials. Nevertheless, only a few small retrospective series to date have compared BCT with mastectomy for tumors measuring >5 cm. The current study was performed to determine whether survival is equivalent for BCT versus mastectomy using a large national data set.METHODSSurveillance, Epidemiology, and End Results (SEER)‐Medicare‐linked cases were identified for patients aged ≥66 years undergoing breast conservation for invasive, noninflammatory, nonmetastatic breast cancer between 1992 and 2009. Propensity score‐based adjustment was used to account for demographics and tumor and treatment factors.RESULTSA total of 5685 patients with tumors measuring >5.0 cm underwent breast surgery, with 15.6% receiving BCT. Mean ages of the patients and tumor sizes were similar. Predictors of BCT included neoadjuvant chemotherapy and postoperative radiotherapy use, higher income, breast cancer as a first malignancy, and a higher Charlson Comorbidity Index. Predictors of mastectomy included younger age, nonductal histology, higher grade, numbers of lymph nodes examined and found to be positive, American Joint Committee on Cancer stage III disease, postoperative chemotherapy use, and residential region of the country. Adjusted overall and breast cancer‐specific survival were not different between patients treated with BCT and mastectomy (hazard ratio, 0.934; 95% confidence interval, 0.791‐1.103 [P = .419] for overall survival; and subdistribution hazard ratio, 1.042; 95% confidence interval, 0.793‐1.369 [P = .769] for breast cancer‐specific survival), with each improving over time. The median follow‐up was 7.0 years.CONCLUSIONSFor Medicare patients with tumors measuring >5 cm, survival is similar between those treated with BCT and mastectomy as for patients with smaller primary tumors. Despite exclusion from randomized trials, BCT may remain an option for patients with larger tumors when deemed clinically and cosmetically amenable to surgical resection. Cancer 2016;122:42–49. © 2015 American Cancer Society.