bluuebunny/crossref_metadata_2025_split huggingface dataset:
Reliable probabilistic forecasts from an ensemble reservoir inflow forecasting system
Authors: Bourdin Dominique R. , Nipen Thomas N. , Stull Roland B. 
Published: March 2014

AbstractThis paper describes a probabilistic reservoir inflow forecasting system that explicitly attempts to sample from major sources of uncertainty in the modeling chain. Uncertainty in hydrologic forecasts arises due to errors in the hydrologic models themselves, their parameterizations, and in the initial and boundary conditions (e.g., meteorological observations or forecasts) used to drive the forecasts. The Member‐to‐Member (M2M) ensemble presented herein uses individual members of a numerical weather model ensemble to drive two different distributed hydrologic models, each of which is calibrated using three different objective functions. An ensemble of deterministic hydrologic states is generated by spinning up the daily simulated state using each model and parameterization. To produce probabilistic forecasts, uncertainty models are used to fit probability distribution functions (PDF) to the bias‐corrected ensemble. The parameters of the distribution are estimated based on statistical properties of the ensemble and past verifying observations. The uncertainty model is able to produce reliable probability forecasts by matching the shape of the PDF to the shape of the empirical distribution of forecast errors. This shape is found to vary seasonally in the case‐study watershed. We present an “intelligent” adaptation to a Probability Integral Transform (PIT)‐based probability calibration scheme that relabels raw cumulative probabilities into calibrated cumulative probabilities based on recent past forecast performance. As expected, the intelligent scheme, which applies calibration corrections only when probability forecasts are deemed sufficiently unreliable, improves reliability without the inflation of ignorance exhibited in certain cases by the original PIT‐based scheme.
The α‐Chlorination of Aryl Methyl Ketones under Aerobic Oxidative Conditions
Authors: Prebil Rok , Stavber Stojan 
Published: March 2014

AbstractThe novel reaction system air/ammonium nitrate/iodine/hydrochloric acid [air/NH4NO3(cat.)/I2(cat.)/HCl] is introduced as a simple, safe, cheap, efficient and regioselective mediator for the α‐chlorination of aryl, heteroaryl and alkyl methyl ketones under aerobic oxidative conditions. The inventive use of a catalytic amount of iodine enabled the moderate to quantitative, regioselective chlorination of a comprehensive scope of different methyl ketone derivatives including those bearing oxidizable heteroatom (S, N) substituents, some of which possess declared potential biological and pharmaceutical activity. Air oxygen under a slight overpressure plays the role of the terminal oxidant catalytically activated by redox cycles of nitrogen oxides released from the catalytic amount of ammonium nitrate (NH4NO3) under acidic conditions of hydrochloric acid (HCl) and co‐catalyzed by elemental iodine (I2), which was found to be essential for the high efficiency of the reaction system.magnified image
Enantioselective Synthesis of α‐Trifluoromethyl Arylmethylamines by Ruthenium‐Catalyzed Transfer Hydrogenation Reaction
Authors: Dai Xiaoyang , Cahard Dominique 
Published: March 2014

AbstractA simple combination of dichloro(para‐cymene)ruthenium(II) dimer, a chiral amino alcohol and isopropyl alcohol allowed for in‐situ generation of the bifunctional catalyst responsible for the transfer hydrogenation reaction of trifluoromethyl ketimines in excellent yields with high enantioselectivities (up to 93% ee). Herein, we describe the optimization, scope, limitations, and applications of the method.magnified image
Charge Trapping an Stufenkanten von Anatas‐TiO2(101)
Authors: Setvin Martin , Hao Xianfeng , Pavelec Benjamin Daniel, Ing. Jiri , Novotny Zbynek , Parkinson Gareth S. , Schmid Michael , Kresse Georg , Franchini Cesare , Diebold Ulrike 
Published: March 2014

AbstractMithilfe einer Kombination aus Photoemissionsspektroskopie, Rasterkraft‐ und Rastertunnelmikroskopie/‐spektroskopie wird gezeigt, dass sich überschüssige Elektronen auf einer Anatas‐TiO2(101)‐Oberfläche an Stufenkanten ansammeln. Stufenkanten fungieren daher als bevorzugte Adsorptionsplätze für O2. Auch wenn in Dichtefunktionalrechnungen bereits bei sauberen Stufenkanten eine Lokalisierung der Elektronen festgestellt wird, wird dieser Effekt durch Sauerstofffehlstellen und Hydroxylierung noch weiter verstärkt. Die vorliegenden Befunde illustrieren die Bedeutung von Defekten bei den vielfältigen Anwendungen von Titandioxid.
Formation of [Bi11]3−, A Homoatomic, Polycyclic Bismuth Polyanion, by Pyridine‐Assisted Decomposition of [GaBi3]2−
Authors: Weinert Bastian , Eulenstein Armin Rainer , Ababei Rodica , Dehnen Stefanie 
Published: March 2014

AbstractUntil now, polycyclic bismuth polyanions have not been known—thus discriminating bismuth from its lighter congeners. However, the synthesis of [K([2.2.2]crypt)]3(Bi11)⋅2 py⋅tol, allows us to present the first structurally characterized homoatomic, polycyclic bismuth polyanion, which exhibits the [P11]3− “ufosan” structure. It was obtained upon treatment of [K([2.2.2]crypt)]2(GaBi3)⋅en with the solvent pyridine. The binary Zintl anion [GaBi3]2− decomposes under oxidative coupling of pyridine molecules and release of H2 to form the title compound. The unprecedented reaction, its products and by‐products were investigated by means of spectroscopy, spectrometry, and DFT studies. All findings reveal the specific reaction conditions to be crucial for the formation of the [Bi11]3− ion—and indicate the possibility of the generation and isolation of further, large bismuth polyanions.
Evaluation of the chondrogenic differentiation of mesenchymal stem cells on hybrid biomimetic scaffolds
Authors: Karkhaneh Akbar , Naghizadeh Ziba , Shokrgozar Mohammad Ali , Bonakdar Shahin 
Published: March 2014

ABSTRACTHybrid materials are widely and promisingly used as scaffolds in cartilage tissue remodeling. In this study, hybrid scaffolds consist of polycaprolactone (PCL), poly(vinyl alcohol) (PVA) with/without gelatin (GEL) to mimic natural cartilage extracellular matrix (ECM) were investigated. Scaffolds were prepared by freeze drying and characterized by scanning electron microscopy and compressive mechanical testing. Biological assays of mesenchymal stem cell (MSC) cultures, 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide, and dimethyl methylene blue were performed, and real‐time polymerization chain reaction analysis of the cartilage‐specific ECM gene marker expression was done. The results show an open interconnected porous structure with a compression modulus of 1.27 ± 0.04 MPa. The surface of the scaffolds showed an excellent efficiency in the adhesion and proliferation of MSCs. A significant increase in the proteoglycan content from 3.70 ± 0.96 to 5.4 ± 1.13 μg/mL was observed after 14 days in the PCL–PVA–GEL scaffolds. The expression amount of the sex‐determining region Y–Box 9 (SOX9) and collagen II (COL2) mRNA levels of the MSCs showed significant increases in SOX9 and COL2, respectively in comparison with PCL–PVA scaffold. The study revealed that the aforementioned scaffold as a blend of natural and synthetic polymers may be a promising substrate in tissue engineering for cartilage repair with MSC transplantation. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40635.
Recent synthetic approaches and emerging bio‐inspired strategies for the development of sustainable pressure‐sensitive adhesives derived from renewable building blocks
Authors: Vendamme Richard , Schüwer Nicolas , Eevers Walter 
Published: March 2014

ABSTRACTIn this review, we provide a bird's eye view of recent developments in the field of pressure‐sensitive adhesives (PSAs) derived from renewable monomeric building blocks. This emerging research field has been driven by increasing sustainability requirements in the adhesive industry and bridges the gap existing between highly optimized petroleum‐based synthetic PSA systems, which display superior performance but lack biobased content, and historical PSAs derived from naturally occurring biopolymers (e.g., starch and natural rubber), which provide more environmentally friendly bonding solutions but have inherent technical limitations that prevent their more widespread implementation in today's technically demanding applications. We critically reviewed a representative (and exhaustive) survey of recent synthetic approaches to the development of biobased PSAs from the academic (articles) and industrial (patents) literature categorized in two families: chain‐growth and step‐growth polymerization routes. Finally, we draw a parallel between renewable synthetic PSAs and nature's self‐adhesive glues, highlighting how the synergy between green chemistry and biomimetic concepts could inspire the emergence of a new generation of smart, synthetic, biobased PSAs with differentiated properties that approach the ones that are found in the natural world and with a wide spectrum of potential applications in the industrial and medical sectors. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 40669.
A106: Rituximab Use in Pediatric Antiphospholipid Antibody Positive Patients
Authors: Aguiar Cassyanne , Lehman Thomas , Erkan Doruk 
Published: March 2014

Background/Purpose:Rituximab (RTX) has been increasingly used in Antiphospholipid Syndrome (APS); our objective was to review the literature on the outcomes of RTX‐treated antiphospholipid antibody (aPL) positive pediatric patients.Methods:PubMed/Ovid were queried for “rituximab” and “pediatric” or “children” and “aPL”, “APS”, “lupus anticoagulant (LA)”, “anticardiolipin antibodies (aCL)” and/or “anti‐β2‐Glycoprotein‐I antibodies (aβ2GPI)”. Information obtained was demographics, aPL/APS history, RTX indication/dose/duration, medications, and pre/post RTX aPL results. We systematically analyzed: a) clinical outcomes only in patients treated with RTX for aPL‐specific indications; and b) pre/post RTX aPL profiles in all patients.Results:As of Jan 2014, 14 articles and one abstract reported 23 aPL‐positive pediatric patients (≤18 years) treated with RTX (mean age: 13 ± 4.6 [3m−17 y]; Primary aPL/APS: 5 [22%]; aPL/APS with lupus 17 [74%], and malignancy 1 [4%]). 11/23 (48%) patients received RTX for an aPL‐related indication (recurrent thromboses/microthromboses: 6, thrombocytopenia: 7, hemolytic anemia: 2, skin ulcer/necrosis: 2, aPL‐nephropathy: 1); all patients had “improvement” and/or “no further thrombosis” as per authors' assessment. describes the pre/post RTX aPL profiles. Rituximab regimens were: 375 mg/m2 weekly for 2–4 weeks (8), 1 gm 1–2 weeks apart for two doses (2), 750 mg/m2 weekly for 2 weeks (5), other (5), and unknown (3). Medications most commonly used prior to RTX were cyclophosphamide (14), azathioprine (9), mycophenolate mofetil (9), and IVIG (8). Steroids were used in all cases with cyclophosphamide and anticoagulation concomitantly in 8 and 6 cases, respectively.

Pre‐RTX aPL (N = 23)
Post‐RTX aPL Positive_Negative_Unknown

LA

Positive
9
(2_0_7)

Negative
4
(0_2_2)

Unknown
10
(0_0_10)

aCL IgG/M/A

Positive (≥ 20U)
17
(1_9_7)

Positive (≥ 40U)
6
(0_4_2)

Negative (< 20U)
3
(0_0_3)

Unknown
3
(0_0_3)

aβ2GPI IgG/M/A

Positive (≥ 20U)
3
(1_0_2)

Positive (≥ 40U)
0
(0_0_0)

Negative (< 20U)
1
(0_1_0)

Unknown
19
(0_0_19)

(1) tested 2/3 aPL with 1/2 aPL tested twice (aCL repeat value reported “positive”) pre‐RTX; (2) tested 1/3 aPL with repeat testing showing change to negative before RTX; (1) tested 3/3 aPL with repeat aCL positivity (tested only 2 weeks apart).Conclusion:Our systematic analysis of the literature for the outcomes of RTX‐treated aPL‐positive pediatric patients demonstrate: a) the number of patients is small with heterogeneous clinical manifestations and aPL profile; b) patients had clinical improvement of the aPL‐related manifestation, however in all cases RTX was used concomitantly with other immununosuppressive medications, steroids and/or anticoagulation; c) no patient with a clinically significant aPL profile (LA and/or moderate‐to high titer aCL/aβ2GPI) switched to a negative aPL (LA, aCL, and aβ22GPI) following treatment only with Rituximab.
Total Synthesis of the Putative Structure of Xylarinol B
Authors: More Atul A. , Ramana Chepuri V. 
Published: March 2014

AbstractThe total synthesis of the putative structure of xylarinol B is described and the need to revise its structure is demonstrated. The central benzoxepine skeleton was constructed by employing a cobalt‐mediated bimolecular [2+2+2] Reppe–Vollhardt alkyne cycloaddition reaction.
Cloning and characterization of a novel ‐carotene hydroxylase gene from Lycium barbarum and its expression in Escherichia coli
Authors: Wu Jiang , Ji Jing , Wang Gang , Li Zhaodi , Diao Jinjin , Wu Guangxia 
Published: March 2014

AbstractLycium barbarum contains high levels of zeaxanthin, which is produced by the conversion of ‐carotene into zeaxanthin. ‐Carotene hydroxylase catalyzes this reaction. We cloned a cDNA (chyb) encoding ‐carotene hydroxylase (Chyb) from the L. barbarum leaf. A 939‐bp full‐length cDNA sequence was determined with 3′‐rapid amplification of cDNA end assay encoding a deduced Chyb protein (34.8 kDa) with a theoretical isoelectric point of 8.36. A bioinformatics analysis showed that the L. barbarum Chyb was located in the chloroplast. Further, to investigate the catalytic activity of the L. barbarum Chyb, a complementation analysis was conducted in Escherichia coli. The results strongly demonstrated that Chyb can catalyze ‐carotene to produce zeaxanthin. Thus, this study suggests that L. barbarum ‐carotene hydroxylase could be a means of zeaxanthin production by genetic manipulation in E. coli.
Camelid‐derived heavy‐chain nanobody against Clostridium botulinum neurotoxin E in Pichia pastoris
Authors: Baghban Roghayyeh , Gargari Seyed Latif Mousavi , Rajabibazl Masoumeh , Nazarian Shahram , Bakherad Hamid 
Published: March 2014

AbstractBotulinum neurotoxins (BoNTs) result in severe and often fatal disease, botulism. Common remedial measures such as equine antitoxin and human botulism immunoglobulin in turn are problematic and time‐consuming. Therefore, diagnosis and therapy of BoNTs are vital. The variable domain of heavy‐chain antibodies (VHH) has unique features, such as the ability to identify and bind specifically to target epitopes and ease of production in bacteria and yeast. The Pichia pastoris is suitable for expression of recombinant antibody fragments. Disulfide bond formation and correct folds of protein with a high yield are some of the advantages of this eukaryotic host. In this study, we have expressed and purified the camelid VHH against BoNT/E in P. pastoris. The final yield of P. pastoris‐expressed antibody was estimated to be 16 mg/l, which is higher than that expressed by Escherichia coli. The nanobody expressed in P. pastoris neutralized 4LD50 of the BoNT/E upon i.p. injection in 25% of mice. The nanobody expressed in E. coli extended the mice's survival to 1.5‐fold compared to the control. This experiment indicated that the quality of expressed protein in the yeast is superior to that of the bacterial expression. Favorable protein folding by P. pastoris seems to play a role in its better toxin‐binding property.
Are People Naïve Probability Theorists? A Further Examination of the Probability Theory + Variation Model
Authors: Fisher Christopher R. , Wolfe Christopher R. 
Published: March 2014

ABSTRACTTwo experiments tested predictions derived from the Probability Theory + Variation (PTV) model. PTV model assumes that judgments follow probability theory, but systematic errors arise from noise in the judgments. Experiment 1 compared the PTV model to a configural weighted averaging model in joint probability judgment and found more support for the PTV model in diagnostic cases. Specifically, noise was negatively correlated with semantic coherence and conjunction and disjunction fallacies increased when order effects produced more noise in conjunctions and disjunctions. Consistent with both models, judgments adhered stochastically to the addition law. Contrary to the integration rules of the PTV model, we failed to find increased noise in disjunctions compared to conjunctions. Experiment 2 tested predictions of the PTV model for conditional probability judgment. Consistent with the PTV model, noise was negatively correlated with semantic coherence in conditional probabilities and judgments adhered stochastically to Bayes' theorem. Conversion errors were generally more prevalent than conditional reversals, a finding that is not fully consistent with the PTV model. In general, the quantitative fit of the PTV model was relatively better for overlapping and subset problems compared to identical, independent and mutually exclusive problems, especially for semantic coherence. Copyright © 2014 John Wiley & Sons, Ltd.
Brief report adult patient presenting an interstitial (9) (q21.32q31.1) direct duplication resulting from the malsegregation of a paternal balanced insertional translocation
Authors: Deng Linbei , Peng Ying , Liu Jing , Wen Juan , Xia Yan , Liang Desheng , Wu Lingqian 
Published: March 2014

BackgroundThe partial trisomy 9q syndrome is a well‐defined chromosomal disorder with over 40 reported cases in the literature. However, 9q duplications derived from an insertional translocation have rarely been reported.MethodsCytogenetic and molecular analyses using G‐banding, fluorescence in situ hybridization, and single nucleotide polymorphism array were performed in a 25‐year‐old male patient with intellectual disability, behavioral abnormalities, speech delay, postnatal growth retardation, distinctive facial features, and pyloric stenosis.ResultsG‐banding analysis showed an extra chromosome segment of unknown origin inserted into band 4q25. A 16,747,601 bp duplication of 9q21.32q31.1 inserted into band 4q25 and a balanced (4;9) insertional translocation were identified by single nucleotide polymorphism array and fluorescence in situ hybridization analysis respectively in the patient and his healthy father. A literature review was performed to refine genotype–phenotype correlation of the partial trisomy 9q syndrome.ConclusionThis is the first report on the molecular characterization of a partial trisomy 9q syndrome derived from an insertional translocation between nonhomologous chromosomes. Our findings provide important information for genetic counseling and prenatal diagnosis of future pregnancies in this family. Birth Defects Research (Part A) 100:294–299, 2014. © 2014 Wiley Periodicals, Inc.
Lymph node size as a predictor of lymphatic staging in colonic cancer
Authors: Sloothaak D A M , Grewal S , Doornewaard H , van Duijvendijk P , Tanis P J , Bemelman W A , van der Zaag E S , Buskens C J 
Published: March 2014

Abstract

Background
In colonic cancer, the number of harvested lymph nodes is associated with prognosis. The aim of this study was to determine the contribution of small lymph nodes to pathological staging, and to analyse the hypothesis that node size is a confounder in the relationship between prognosis and nodal harvest.

Methods
Nodal harvest and size were analysed in patients who underwent elective surgery for colonic cancer. Visible and palpable nodes were harvested without fat clearance techniques, and conventional histology was performed.

Results
Metastases were found in 99 of 2043 measured lymph nodes in 150 patients. Lymph nodes smaller than 3 mm were positive in 8·0 per cent of patients (12 of 150), but were the sole reason for upstaging in only 1·3 per cent (2 of 150). No metastases were found among 95 nodes of 1 mm or less. Metastatic nodes were larger than those without metastasis (median (i.q.r.) 5·0 (3·2–7·0) versus 3·8 (2·4–5·2) mm; P &lt; 0·001), but a receiver operating characteristic (ROC) curve did not identify a relevant cut-off point to predict metastatic involvement. A hazard ratio of 0·71 (95 per cent confidence interval 0·50 to 1·01) was suggestive of an association between disease recurrence and increased node size, although not significant (P = 0·056). In patients with N0 disease, there was a correlation between node size and harvest (Pearson's correlation 0·317, P = 0·002), and a nodal yield of at least 12 was associated with a larger median node size (4·3 (3·3–5·0) versus 3·4 (2·7–4·0) mm; P = 0·015).

Conclusion
The contribution of lymph nodes smaller than 3 mm to nodal staging is limited. Increased node size is associated with increased nodal yield, and could be a confounder in the relationship between prognosis and nodal harvest in patients with N0 disease.
Duration of antibiotic treatment after appendicectomy for acute complicated appendicitis
Authors: van Rossem C C , Schreinemacher M H F , Treskes K , van Hogezand R M , van Geloven A A W 
Published: March 2014

AbstractBackgroundAntibiotic treatment after appendicectomy for complicated appendicitis aims to reduce postoperative infections. However, available data on the duration of treatment are limited. This study compared the difference in infectious complications between two protocols, involving either 3 or 5 days of postoperative antibiotic treatment.MethodsThis was an observational cohort study of all adult patients who had an appendicectomy between January 2004 and December 2010 at either one of two hospitals in the same region. At location A, the protocol included 3 days of postoperative antibiotic treatment, whereas at location B it specified 5 days. The primary outcome was the development of postoperative infections as either superficial wound infection or deep intra-abdominal infections.ResultsA total of 1143 patients with acute appendicitis underwent appendicectomy, of whom 267 (23·4 per cent) had complicated appendicitis. The duration of postoperative antibiotic treatment was 3 days in 135 patients (50·6 per cent) and at least 5 days in 123 (46·1 per cent). No difference was found between antibiotic treatment for 3 or 5 days in terms of developing an intra-abdominal abscess (odds ratio (OR) 1·77, 95 per cent confidence interval 0·68 to 4·58; P = 0·242) or a wound infection (OR 2·74, 0·54 to 13·80; P = 0·223). In patients with complicated appendicitis, the laparoscopic approach was identified as a risk factor for developing an intra-abdominal abscess in univariable analysis (OR 2·46, 1·00 to 6·04; P = 0·049), but was not confirmed as an independent risk factor for this complication in multivariable analysis (OR 2·32, 0·75 to 7·14; P = 0·144).ConclusionAfter appendicectomy for complicated appendicitis, 3 days of antibiotic treatment is equally effective as 5 days in reducing postoperative infections.
Aryl Sulfotransferase from Haliangium ochraceum: A Versatile Tool for the Sulfation of Small Molecules
Authors: Ayuso‐Fernández Iván , Galmés Miquel A. , Bastida Agatha , García‐Junceda Eduardo 
Published: March 2014

AbstractSulfation is an important molecular modification that regulates essential cellular processes and is also implicated in numerous pathological processes. The enzymes responsible for this reaction in living organisms are sulfotransferases. The gene Hoch_5094 from Haliangium ochraceum is annotated as a putative sulfotransferase. The arylsulfotransferase codified by this gene (HocAST) was expressed heterologously in E. coli and showed aryl sulfotransferase activity. Circular dichroism analysis of HocAST showed a main α/β secondary structure that agrees with the overall structure of other cytosolic sulfotransferases. Interestingly, HocAST was able to use both p‐nitrophenyl sulfate and 3′‐phosphoadenosine‐5′‐phosphosulfate (PAPS) as sulfuryl donors contrary to that of aryl sulfate sulfotransferase, which cannot use PAPS as a donor. Regarding the specificity towards the acceptor, HocAST has shown quite a wide scope and was able to accept several mono‐ and dihydroxylated phenols and other phosphorylated compounds as substrates.