bluuebunny/crossref_metadata_2025_split huggingface dataset:
Pd/C: An efficient and reusable catalyst for the synthesis of flavones via carbonylation of aryl halides
Authors: Lei Yizhu , Li Zhi , Wan Yali , Zhou Xiao‐Yu , Li Guangxing , Shi Kaiyi 
Published: November 2017

This work describes an efficient and mild approach for the synthesis of flavones via catalytic carbonylation of aryl halides with 2‐hydroxyacetophenone using the commercial Pd/C as an efficient, heterogeneous and recyclable catalyst. Under balloon pressure of CO, 0.6 mol% Pd/C is sufficient for moderate yields of flavones for the carbonylation of aryl iodides under phosphine‐free conditions and aryl bromides in the presence of phosphine ligand. The catalyst is easily separable and shows significant recyclability. Moreover, the reaction mechanism was discussed, and a possible mechanism that contains two different cyclisation pathways was proposed.
Synthesis, characterization, and photocatalytic activities of novel bentonite‐supported BiOCl–ZnO heterojunction (BiOCl–ZnO–Bentonite) under UV light
Authors: Vaizoğullar Ali İmran 
Published: November 2017

AbstractHerein, we report the synthesis of a new composite catalyst immobilized on bentonite surface (BiOCl–ZnO–Bent). The samples were characterized using Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), X‐ray Diffraction (XRD), Brunauer–Emmett–Teller, photoluminescence, and Diffuse Reflectance Spectra (UV‐Vis DRS) analyses. BiOCl were observed as nanosheets, whereas ZnO particles were nearly spherical (SEM images). Bentonite clay was used to increase the surface area of the samples. Brunauer–Emmett–Teller surface area of Bi/Zn/Bent (50%) catalyst was lower than that of the ZnO–Bent and BiOCl–Bent. The prepared photocatalyst decomposed 10 mg L−1 of 3‐chlorophenol (3‐CP) within 180 min under UV light. Bi/Zn/Bent (50%) catalyst showed the highest photocatalytic activity. A proposed degradation mechanism for Bi/Zn/Bent (50%) composite is also discussed.
Economic analysis of bioethanol and electricity production from sugarcane in South Africa
Authors: Petersen Abdul M. , Van der Westhuizen Willem A. , Mandegari Mohsen A. , Görgens Johann F. 
Published: November 2017

AbstractAn economic analysis for ethanol and electricity production in the sugarcane crushing industry in South Africa through first‐ and second‐generation technologies, and integration strategies was carried out. The analysis included capital allowances to upgrade the energy efficiencies of existing sugar mills, to allow co‐production of electricity, production of second‐generation ethanol from hemicellulose, and export of lignocellulose residues from these facilities. Methodologies included mass and energy balances in Aspen Plus® and economic models in MS Excel to determine the required selling prices for electricity, sugarcane residues and ethanol, for these investments. The required selling price for electricity for the sugarcane crushing industry was US$ 97/MWhr, while that of bagasse residues was US$ 90/ton. A first‐generation ethanol plant with electricity co‐generation from bagasse has an ethanol selling price of US$ 0.84/l, which was highly dependent of the cane price, and reduced significantly when second‐generation production from hemicelluloses of bagasse and trash was incorporated. The selling price of US$ 0.38/l for integrated second‐generation ethanol at a sugar mill was the lowest, but however, was highly dependent on technological efficiency. Standalone second‐generation ethanol was unfeasible due to the costs of the infrastructure needed to provide bagasse as a ­feedstock. © 2017 Society of Chemical Industry and John Wiley & Sons, Ltd
Stress degradation of edaravone: Separation, isolation and characterization of major degradation products
Authors: Baghel Madhuri , Rajput Sadhana J. 
Published: November 2017

AbstractIn the present study the International Conference on Harmonization‐prescribed stress degradation was carried out to study the degradation profile of edaravone. To establish a Quality by Design (QbD)‐assisted stability‐indicating assay, the reaction solutions in which different degradation products were formed were mixed. Plackett Burman and central composite design were used to screen and optimize experimental variables to resolve edaravone and its impurities with good peak symmetry using an RP C18 column. The method was validated according to International Conference on Harmonization guidelines. Seven unknown and two known degradation products were identified and characterized by LC‐MS/MS. Two major degradation products formed under thermal degradation were isolated and characterized as 4‐(4,5‐dihydro‐3‐methyl‐5‐oxo‐1‐phenyl‐1H‐pyrazol‐4‐yl‐4‐(4,5‐dihydro‐5‐hydroxy‐3‐methyl‐1‐phenyl‐1H‐pyrazol‐4‐yl)‐3‐methyl‐1‐phenyl‐1H‐pyrazol‐5(4H)‐one and 3‐hydroxy‐dihydro‐thiazolo[1‐(2‐methyl‐buta‐1,3dienyl)‐1‐phenylhydrazine]5‐one. The degradation pathways of degradants were proposed based on m/z values.
Dissipation, residues and risk assessment of spirotetramat and its four metabolites in citrus and soil under field conditions by LC‐MS/MS
Authors: Zhang Qingtao , Chen Yuling , Wang Shouyi , Yu Yurong , Lu Ping , Hu Deyu , Yang Zaihui 
Published: November 2017

AbstractA modified Quick, Easy, Cheap, Effective, Rugged and Safe (QuEChERS) method for the simultaneous determination of spirotetramat and its four metabolite residues in citrus, peel, pulp and soil was developed and validated by liquid chromatography with tandem mass spectrometry (LC‐MS/MS). The samples were extracted with acetonitrile (1%, glacial acetic acid, v/v) and purified using primary secondary amine and octadecylsilane. The limit of detection was 0.01–0.13 mg/kg, whereas that of quantification was 0.02–0.40 mg/kg for spirotetramat and its metabolites. The average recoveries of spirotetramat, spirotetramat‐enol, spirotetramat‐mono‐hydroxy, spirotetramat‐enol‐glucoside and spirotetramat‐ketohydroxy in all matrices were 73.33–107.91%, 75.93–114.85%, 76.44–100.78%, 71.46–103.19% and 73.08–105.27%, respectively, with relative standard deviations < 12.32%. The dissipation dynamics of spirotetramat in citrus and soil followed first‐order kinetics, with half‐lives of 2.3–8.5 days in the three sampling locations. The terminal residues of spirotetramat in four matrices at the three locations were measured below the 1.0 mg/kg maximum residue limit set by China, and residues were found to be concentrated on the peel. The risk assessment of citrus was evaluated using risk quotients. The risk quotient values were found to be significantly <1, suggesting that the risk to human health was negligible when using the recommended doses of spirotetramat in citrus. These results could provide guidance for the safe and proper application of spirotetramat in citrus in China.
Beating Bias in the Directed Evolution of Proteins: Combining High‐Fidelity on‐Chip Solid‐Phase Gene Synthesis with Efficient Gene Assembly for Combinatorial Library Construction
Authors: Li Aitao , Acevedo‐Rocha Carlos G. , Sun Zhoutong , Cox Tony , Xu Jia Lucy , Reetz Manfred T. 
Published: November 2017

AbstractSaturation mutagenesis (SM) constitutes a widely used technique in the directed evolution of selective enzymes as catalysts in organic chemistry and in the manipulation of metabolic paths and genomes, but the quality of the libraries is far from optimal due to the inherent amino acid bias. Herein, it is shown how this fundamental problem can be solved by applying high‐fidelity solid‐phase chemical gene synthesis on silicon chips followed by efficient gene assembly. Limonene epoxide hydrolase was chosen as the catalyst in the model desymmetrization of cyclohexene oxide with the stereoselective formation of (R,R)‐ and (S,S)‐cyclohexane‐1,2‐diol. A traditional combinatorial PCR‐based SM library, produced by simultaneous randomization at several residues by using a reduced amino acid alphabet, and the respective synthetic library were constructed and compared. Statistical analysis at the DNA level with massive sequencing demonstrates that, in the synthetic approach, 97 % of the theoretically possible DNA mutants are formed, whereas the traditional SM library contained only about 50 %. Screening at the protein level also showed the superiority of the synthetic library; many highly (R,R)‐ and (S,S)‐selective variants being discovered are not found in the traditional SM library. With the prices of synthetic genes decreasing, this approach may point the way to future directed evolution.
Live‐Cell MicroRNA Imaging through MnO2 Nanosheet‐Mediated DD‐A Hybridization Chain Reaction
Authors: Ou Min , Huang Jin , Yang Xiaohai , He Xiaoxiao , Quan Ke , Yang Yanjing , Xie Nuli , Li Jing , Wang Kemin 
Published: November 2017

AbstractInnovative techniques to visualize native microRNAs (miRNAs) in live cells can dramatically impact current research on the roles of miRNA in biology and medicine. Here, we report a novel approach for live‐cell miRNA imaging using a biodegradable MnO2 nanosheet‐mediated DD‐A FRET hybridization chain reaction (HCR). The MnO2 nanosheets can adsorb DNA hairpin probes and deliver them into live cells. After entering cells, the MnO2 nanosheets are degraded by cellular GSH. Then, the target miR‐21 triggers cascaded assembly of the liberated hairpin probes into long dsDNA polymers, which brings each two FAMs (donor) and one TAMRA (acceptor) into close proximity to generate significantly enhanced DD‐A FRET signals, which was discovered and proven by our previous report. We think the developed approach can serve as an excellent intracellular miRNAs detection tool, which promises the potential for biological and disease studies.
In‐hospital outcomes of transcatheter versus surgical aortic valve replacement in end stage renal disease
Authors: Alkhalil Ahmad , Golbari Shervin , Song David , Lamba Harveen , Fares Anas , Alaiti Amer , Deo Salil , Attizzani Guilherme F. , Ibrahim Homam , Ruiz Carlos E. 
Published: November 2017

AbstractBackgroundTranscatheter aortic valve replacement (TAVR) is an alternative to surgical aortic valve replacement (SAVR) for patients with severe symptomatic aortic stenosis (AS) who are at intermediate and high risk for surgery. Commercial use of TAVR has expanded to patients with end stage renal disease (ESRD).ObjectivesCompare in‐hospital outcomes of TAVR versus SAVR in ESRD patients requiring hemodialysis (HD).MethodsESRD patients on HD undergoing TAVR (n = 328) or SAVR (n = 697) between 2012 and 2014 were identified in the National Inpatient Sample (NIS). Propensity‐score matching method was used to minimize selection bias. Baseline characteristics and in‐hospital outcomes were compared.ResultsTAVR patients were older (75.3 vs. 61.6 years, P < 0.001) and had more comorbidities, including congestive heart failure (16.2% vs. 7.5%), diabetes mellitus (28.4% vs. 22.5%), chronic lung disease (27.7% vs. 20.4%), and peripheral vascular disease (35.1% vs. 21.2%). Propensity‐score matching yielded 175 pairs of patients matched on 30 baseline covariates. Overall in‐hospital mortality was high (9.9%) and similar between TAVR and SAVR (8% vs. 10.3%, P = 0.58). TAVR was associated with shorter length of stay (LOS) (8 vs. 14 days, P < 0.001), lower hospitalization cost ($276,448 vs. $364,280, P = 0.01), lower in‐hospital complications (60.6% vs. 76%, P = 0.003), and higher rate of home discharge (31.4% vs. 17.7%, P = 0.004) compared with SAVR.ConclusionsRegardless of treatment modality, patients with AS on HD have high in‐hospital mortality. TAVR and SAVR have comparable in‐hospital mortality in this population. However, TAVR is associated with shorter LOS, lower hospitalization costs, lower in‐hospital complications, and higher rates of home discharge.
Electrochemical Conversion of Phthaldianilides to Phthalazin‐1,4‐diones by Dehydrogenative N−N Bond Formation
Authors: Kehl Anton , Gieshoff Tile , Schollmeyer Dieter , Waldvogel Siegfried R. 
Published: November 2017

AbstractThe electrochemical synthesis of 6‐membered rings via anodic dianilide N−N coupling is challenging due to concurring benzoxazole co‐formation. The rigidity of the a phthalic acid backbone allows a novel access to phthalazin‐1,4‐diones by N−N bond formation using anodically generated amidyl radicals. Since conventional synthetic routes to phthalazin‐1,4‐diones require the use of toxic N,N′‐diarylhydrazines and generate reagent waste, a safer and more sustainable approach is required. Easy accessible starting materials, a broad scope of applicable functional groups, promising yields, and a very simple set‐up elevate this sustainable method.
Design, Synthesis, and Evaluation of ω‐(Isothiocyanato)alkylphosphinates and Phosphine Oxides as Antiproliferative Agents
Authors: Janczewski Łukasz , Psurski Mateusz , Świtalska Marta , Gajda Anna , Goszczyński Tomasz M. , Oleksyszyn Józef , Wietrzyk Joanna , Gajda Tadeusz 
Published: November 2017

AbstractA series of 21 novel, structurally diverse ω‐(isothiocyanato)alkylphosphinates and phosphine oxides (ITCs) were designed and synthesized in moderate to good yields. The synthesized compounds were evaluated for in vitro antiproliferative activity using LoVo and LoVo/DX cancer cell lines. The biological activity of the synthesized compounds was higher than that of natural isothiocyanates such as benzyl isothiocyanate or sulforaphane. The antiproliferative activity of selected ITCs was also tested on selected cancer cell lines: A549, MESSA and MESSA/DX‐5, HL60 and HL60MX2, BALB/3T3, and 4T1. These compounds were assessed for their mechanism of action as inducers of cell‐cycle arrest and apoptosis. Ethyl (6‐isothiocyanatohexyl)(phenyl)phosphinate (71) was tested in vivo on the 4T1 cell line and demonstrated moderate antitumor activity, similar to that benzyl isothiocyanate and cyclophosphamide.
Initial flow cytometric evaluation of the Clearllab lymphoid screen
Authors: Hedley B.D. , Cheng G. , Luider J. , Kern W. , Lozanski G. , Chin‐Yee I. , Lowes L.E. , Keeney M. , Careaga D. , Magari R. , Tejidor L. 
Published: November 2017

IntroductionFlow cytometric immunophenotyping (FCI) is an integral part in the diagnosis and classification of hematologic malignancies. FCI results also influence therapeutic decisions and disease prognosis. ClearLLab LS is a 12‐antibody 10‐color cocktail provided in dry format designed as a screen for patients suspected of having hematolymphoid disease.MethodsA blinded comparison between ClearLLab LS, (CD8‐FITC, Kappa‐FITC,CD4‐PE, Lambda‐PE, CD19‐ECD, CD56‐PE‐Cy5.5, CD10‐PE‐Cy7, CD34‐APC, CD5‐APC‐A700, CD20‐APC‐A750, CD3‐PB, and CD45‐KrO), ClearLLab Reagents (five‐color, 17‐antibodies) and individual Laboratory Developed Tests (LDTs), was conducted at four laboratories. Evaluation of ClearLLab LS was performed on 210 specimens, compared to the five‐color ClearLLab Reagents (IVD and CE‐IVD), and a subset (n = 167) to LDTs.ResultsClearLLab LS showed good agreement to ClearLLab Reagents in detecting the absence (104/104) or presence (106/106) of abnormal populations. Of specimens with abnormal populations the ClearLLab LS agreed with the ClearLLab Reagent for neoplasm maturity assessment (70/70 mature and 36/36 immature). Out of 167 specimens with LDTs results, 86 contained abnormal population(s), ClearLLab LS detected 82 (95.3%) of cases. Of the 4 cases not detected by ClearLLab LS, 3 were plasma cell neoplasms and 1 was a mature T cell malignancy. Eighty‐one samples with no hematological malignancy as analyzed by LDT were also negative by ClearLLab LS (100% agreement). ClearLLab LS agreed with LDTs assessment of neoplasms' maturity (55/55 mature and 27/27 immature).ConclusionClearLLab LS screening tube showed excellent agreement between ClearLLab Reagents and with LDT's. The presence of CD34 and CD10 in the tube allowed the detection of blast populations in several acute leukemias and myeloid neoplasms that were tested. © 2017 International Clinical Cytometry Society
Search and foraging behaviors from movement data: A comparison of methods
Authors: Bennison Ashley , Bearhop Stuart , Bodey Thomas W. , Votier Stephen C. , Grecian W. James , Wakefield Ewan D. , Hamer Keith C. , Jessopp Mark 
Published: November 2017

AbstractSearch behavior is often used as a proxy for foraging effort within studies of animal movement, despite it being only one part of the foraging process, which also includes prey capture. While methods for validating prey capture exist, many studies rely solely on behavioral annotation of animal movement data to identify search and infer prey capture attempts. However, the degree to which search correlates with prey capture is largely untested. This study applied seven behavioral annotation methods to identify search behavior from GPS tracks of northern gannets (Morus bassanus), and compared outputs to the occurrence of dives recorded by simultaneously deployed time–depth recorders. We tested how behavioral annotation methods vary in their ability to identify search behavior leading to dive events. There was considerable variation in the number of dives occurring within search areas across methods. Hidden Markov models proved to be the most successful, with 81% of all dives occurring within areas identified as search. k‐Means clustering and first passage time had the highest rates of dives occurring outside identified search behavior. First passage time and hidden Markov models had the lowest rates of false positives, identifying fewer search areas with no dives. All behavioral annotation methods had advantages and drawbacks in terms of the complexity of analysis and ability to reflect prey capture events while minimizing the number of false positives and false negatives. We used these results, with consideration of analytical difficulty, to provide advice on the most appropriate methods for use where prey capture behavior is not available. This study highlights a need to critically assess and carefully choose a behavioral annotation method suitable for the research question being addressed, or resulting species management frameworks established.
Hunting‐mediated predator facilitation and superadditive mortality in a European ungulate
Authors: Gehr Benedikt , Hofer Elizabeth J. , Pewsner Mirjam , Ryser Andreas , Vimercati Eric , Vogt Kristina , Keller Lukas F. 
Published: November 2017

AbstractPredator‐prey theory predicts that in the presence of multiple types of predators using a common prey, predator facilitation may result as a consequence of contrasting prey defense mechanisms, where reducing the risk from one predator increases the risk from the other. While predator facilitation is well established in natural predator‐prey systems, little attention has been paid to situations where human hunters compete with natural predators for the same prey. Here, we investigate hunting‐mediated predator facilitation in a hunter‐predator‐prey system. We found that hunter avoidance by roe deer (Capreolus capreolus) exposed them to increase predation risk by Eurasian lynx (Lynx lynx). Lynx responded by increasing their activity and predation on deer, providing evidence that superadditive hunting mortality may be occurring through predator facilitation. Our results reveal a new pathway through which human hunters, in their role as top predators, may affect species interactions at lower trophic levels and thus drive ecosystem processes.
How do steppe plants follow their optimal environmental conditions or persist under suboptimal conditions? The differing strategies of annuals and perennials
Authors: Ait Mouheb Hocine , Kadik Leila , Albert Cécile Hélène , Berrached Rachda , Prinzing Andreas 
Published: November 2017

AbstractFor a species to be able to respond to environmental change, it must either succeed in following its optimal environmental conditions or in persisting under suboptimal conditions, but we know very little about what controls these capacities. We parameterized species distribution models (SDMs) for 135 plant species from the Algerian steppes. We interpreted low false‐positive rates as reflecting a high capacity to follow optimal environmental conditions and high false‐negative rates as a high capacity to persist under suboptimal environmental conditions. We also measured functional traits in the field and built a unique plant trait database for the North‐African steppe. For both perennial and annual species, we explored how these two capacities can be explained by species traits and whether relevant trait values reflect species strategies or biases inSDMs. We found low false‐positive rates in species with small seeds, flowers attracting specialist pollinators, and specialized distributions (among annuals and perennials), low root:shoot ratios, wide root‐systems, and large leaves (perennials only) (R2 = .52–58). We found high false‐negative rates in species with marginal environmental distribution (among annuals and perennials), small seeds, relatively deep roots, and specialized distributions (annuals) or large leaves, wide root‐systems, and monocarpic life cycle (perennials) (R2 = .38 for annuals and 0.65 for perennials). Overall, relevant traits are rarely indicative of the possible biases ofSDMs, but rather reflect the species' reproductive strategy, dispersal ability, stress tolerance, and pollination strategies. Our results suggest that wide undirected dispersal in annual species and efficient resource acquisition in perennial species favor both capacities, whereas short life spans in perennial species favor persistence in suboptimal environmental conditions and flowers attracting specialist pollinators in perennial and annual species favor following optimal environmental conditions. Species that neither follow nor persist will be at risk under future environmental change.
Structural whole‐brain covariance of the anterior and posterior hippocampus: Associations with age and memory
Authors: Nordin Kristin , Persson Jonas , Stening Eva , Herlitz Agneta , Larsson Elna‐Marie , Söderlund Hedvig 
Published: November 2017

AbstractThe hippocampus (HC) interacts with distributed brain regions to support memory and shows significant volume reductions in aging, but little is known about age effects on hippocampal whole‐brain structural covariance. It is also unclear whether the anterior and posterior HC show similar or distinct patterns of whole‐brain covariance and to what extent these are related to memory functions organized along the hippocampal longitudinal axis. Using the multivariate approach partial least squares, we assessed structural whole‐brain covariance of the HC in addition to regional volume, in young, middle‐aged and older adults (n = 221), and assessed associations with episodic and spatial memory. Based on findings of sex differences in both memory and brain aging, we further considered sex as a potential modulating factor of age effects. There were two main covariance patterns: one capturing common anterior and posterior covariance, and one differentiating the two regions by capturing anterior‐specific covariance only. These patterns were differentially related to associative memory while unrelated to measures of single‐item memory and spatial memory. Although patterns were qualitatively comparable across age groups, participants' expression of both patterns decreased with age, independently of sex. The results suggest that the organization of hippocampal structural whole‐brain covariance remains stable across age, but that the integrity of these networks decreases as the brain undergoes age‐related alterations.