bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fictitious domain methods for two‐phase flow energy balance computations in nuclear components
Authors: Belliard M. , Ramière I. 
Published: June 2011

SUMMARYThis paper is dedicated to the numerical simulation of nuclear components (cores and steam generators) by fictitious domain methods. The fictitious domain approach consists in immersing the physical domain under study in a Cartesian domain, called the fictitious domain, and in performing the numerical resolution on this fictitious domain. The calculation times are then efficiently reduced by the use of fast solvers. In counterpart, one has to handle with an immersed boundary, generally non‐aligned with the Cartesian mesh, which can be non‐trivial.The two fictitious domain methods compared here on industrial simulations and developed by Ramière et al. deal with an approximate immersed interface directly derived from the uniform Cartesian mesh. All the usual immersed boundary conditions (Dirichlet, Robin, Neumann), possibly mixed, are handled through a unique formulation of the fictitious problem. This kind of approximation leads to first‐order methods in space that exhibit a good ratio of the precision of the approximate solution over the CPU time, which is very important for industrial simulations.After a brief recall of the fictitious domain method with spread interface (Ramière et al., CMAME 2007) and the fictitious domain method with immersed jumps (Ramière et al., JCP 2008), we will focus on the numerical results provided by these methods applied to the energy balance equation in a steam generator. The advantages and drawbacks of each method will be pointed out. Generally speaking, the two methods confirm their very good efficiency in terms of precision, convergence, and calculation time in an industrial context. Copyright © 2011 John Wiley & Sons, Ltd.
Benchmark computations of diffuse interface models for two‐dimensional bubble dynamics
Authors: Aland S. , Voigt A. 
Published: June 2011

SUMMARYDiffuse interface models for incompressible two‐phase flow with large density ratios are tested on benchmark configurations for a two‐dimensional bubble rising in liquid columns. The benchmark quantities circularity, center of mass, and mean rise velocity are compared with reference solutions from Hysing et al. Copyright © 2011 John Wiley & Sons, Ltd.
Submergence and uplift of settlements in the area of Helike, Greece, from the Early Bronze Age to late antiquity
Authors: Soter Steven , Katsonopoulou Dora 
Published: June 2011

AbstractExcavations in the Helike Delta on the Gulf of Corinth have brought to light architectural remains from the Early Bronze Age (EBA), Geometric, Classical, Hellenistic, Roman, and Byzantine periods. Borehole results suggest that a lagoon intermittently occupied much of the delta during the Holocene. We discovered a well‐preserved EBA settlement about 1km inland from the present shore, buried under 3 to 5m of fine sediments containing marine, brackish, and freshwater microfossils. A Classical site 130m away, buried under 3m of similar sediments, may have been destroyed by the earthquake and tsunami of 373 B.C., which submerged the city of Helike. Possible tsunami evidence is noted. Although the EBA and Classical sites were both long submerged and buried by lagoonal sediments, tectonic uplift has raised both horizons above sea level. A shallow black clay layer suggests that a marsh covered the Classical and EBA sites in Byzantine times. © 2011 Wiley Periodicals, Inc.
Motor imagery evokes increased somatosensory activity in parkinson's disease patients with tremor
Authors: Helmich Rick C. , Bloem Bastiaan R. , Toni Ivan 
Published: June 2011

AbstractParkinson's disease (PD) is surprisingly heterogeneous: some patients have a prominent resting tremor, while others never develop this symptom. Here we investigate whether the functional organization of the voluntary motor system differs between PD patients with and without resting tremor, and whether these differences relate to the cerebral circuit producing tremor. We compared 18 PD patients with marked tremor, 20 PD patients without tremor, and 19 healthy controls. Subjects performed a controlled motor imagery task during fMRI scanning. We quantified imagery‐related cerebral activity by contrasting imagery of biomechanically difficult and easy movements. Tremor‐related activity was identified by relating cerebral activity to fluctuations in tremor amplitude, using electromyography during scanning. PD patients with tremor had better behavioral performance than PD patients without tremor. Furthermore, tremulous PD patients showed increased imagery‐related activity in somatosensory area 3a, as compared with both healthy controls and to nontremor PD patients. This effect was independent from tremor‐related activity, which was localized to the motor cortex, cerebellum, and thalamic ventral intermediate nucleus (VIM). The VIM, with known projections to area 3a, was unique in showing both tremor‐ and imagery‐related responses. We conclude that parkinsonian tremor influences motor imagery by modulating central somatosensory processing through the VIM. This mechanism may explain clinical differences between PD patients with and without tremor. Hum Brain Mapp, 2012. © 2011 Wiley Periodicals, Inc
Diterpenoids from Diplopterygium rufopilosum
Authors: Hu Jiang , Chen Xuan‐Qin , Zhao Qin‐Shi 
Published: June 2011

AbstractTwo new diterpenoids, (3β,13S)‐3‐O‐[6‐O‐acetyl‐β‐D‐glucopyranosyl]‐13‐O‐α‐L‐rhamnopyranosyllabda‐8(17),14‐diene (1) and (4R,13S)‐18‐O‐β‐D‐glucopyranosyllabda‐8(17),14‐dien‐13‐ol (2) have been isolated from the 95% EtOH extract of the dry fronds of Diplopterygium rufopilosum. Their structures were characterized by spectroscopic methods, including 1D‐NMR, 2D‐NMR, and HR‐ESI‐MS.
Total Synthesis of Leiocarpin C and (+)‐Goniodiol via an Olefin Cross‐Metathesis Protocol
Authors: Krishna Palakodety Radha , Alivelu Munagala 
Published: June 2011

AbstractA stereoselective total synthesis of leiocarpin C (2) and (+)‐Goniodiol (1) by applying olefin cross‐metathesis and substrate directed dihydroxylation as the key steps is reported (Scheme 3).
Synthesis of the Naphthalenone, Dihydroquinoline, and Dihydrofuran Derivatives
Authors: Güngör Füsun Şeyma , Anaç Olcay , Sezer Özkan 
Published: June 2011

AbstractThe reactions of enaminones with dimethyl diazomalonate were investigated in the presence of copper(II) acetylacetonate. From the reaction of (E)‐3‐[methyl(phenyl)amino]‐1‐phenylprop‐2‐en‐1‐one (6c), dimethyl 2‐[methyl(phenyl)amino]‐4‐oxonaphthalene‐1,1‐(4H)‐dicarboxylate, was unexpectedly obtained as the major product. Quinoline derivatives were formed as the major products in the case of N‐methyl‐p‐anisidino and N‐methyl‐p‐toluidino enaminones. The reactions of acetyl enaminones were also realized, and quinoline derivatives were isolated as the major products. 3H‐ and 5H‐dihydrofurans were also formed as side products in these reactions. These results differ from those reported earlier on the reactions of tertiary enaminones with carbenes/metal carbenes.
Antimicrobial Depsides Produced by Cladosporium uredinicola, an Endophytic Fungus Isolated from Psidium guajava Fruits
Authors: de Medeiros Lívia Soman , Murgu Michael , de Souza Antônia Q. L. , Rodrigues‐Fo. Edson 
Published: June 2011

AbstractFour depsides, all of them new as natural products, were isolated from Cladosporium uredinicola solid‐media culture and identified as 3‐hydroxy‐2,5‐dimethylphenyl 2,4‐dihydroxy‐3,6‐dimethylbenzoate (1), 3‐hydroxy‐2,4,5‐trimethylphenyl 2,4‐dihydroxy‐3,6‐dimethylbenzoate (2), 3‐hydroxy‐2,5‐dimethylphenyl 3‐[(2,4‐dihydroxy‐3,6‐dimethylbenzoyl)oxy]‐6‐hydroxy‐2,4‐dimethylbenzoate (3), and 3‐hydroxy‐2,4,5‐trimethylphenyl 3‐[(2,4‐dihydroxy‐3,6‐dimethylbenzoyl)oxy]‐6‐hydroxy‐2,4‐dimethylbenzoate (4). The endophytic fungus was isolated from Psidium guajava fruits and cultivated over sterilized rice. The compounds 1–4 were purified by classical chromatographic procedures, and the chemical structures were identified by spectroscopic studies, mainly 1D‐ and 2D‐NMR and LC/ESI‐MS/MS. Three of the isolated depsides exhibited moderate bacteriostatic and/or bactericide effects on Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa, and Bacillus subtillis.
Two New Alkaloids from Daphniphyllum angustifoliumHutch.
Authors: He Tao , Zhou Ying , Wang Yue‐Hu , Mu Shu‐Zhen , Hao Xiao‐Jiang 
Published: June 2011

AbstractDaphangustifolines A and B (1 and 2), two new Daphniphyllum alkaloids were isolated from the whole plant of Daphniphyllum angustifolium Hutch. Their structures were established on the basis of spectroscopic data. Their cytotoxicity against HL‐60, MCF‐7, and A549 cell lines was also evaluated.
Two New Cyclic Pentapeptides from the Marine‐Derived Fungus Aspergillus versicolor
Authors: Zhou Li‐Na , Gao Hu‐Quan , Cai Sheng‐Xin , Zhu Tian‐Jiao , Gu Qian‐Qun , Li De‐Hai 
Published: June 2011

AbstractTwo new cyclic pentapeptides, named versicotides A (1) and B (2), were obtained from a marine‐derived fungus strain ZLN‐60, identified as Aspergillus versicolor. Their structures were established on the basis of chemical and spectroscopic evidence. Versicotides are new cyclic pentapeptides which contain an L‐alanine residue, two anthranilic acid (=2‐aminobenzoic acid) residues, and two N‐methyl‐L‐alanine residues. Antitumor activities were evaluated by the SRB and MTT methods.
Phenolic Glycosides from the Chinese Liverwort Reboulia hemisphaerica
Authors: Wang Li‐Ning , Guo Dong‐Xiao , Wang Shu‐Qi , Wu Chang‐Sheng , Rehman Mujeeb Ur , Lou Hong‐Xiang 
Published: June 2011

AbstractFour new phenolic glycosides, named rebouosides A–D (1–4, resp.), along with three known ones 2‐(3,4‐dihydroxyphenyl)ethyl 2‐O‐α‐L‐rhamnopyranosyl‐β‐D‐allopyranoside (5), 2‐(3,4‐dihydroxyphenyl)ethyl β‐D‐allopyranoside (6), 2‐(3,4‐dihydroxyphenyl)ethyl β‐D‐glucopyranoside (7), and a nucleoside, inosine (8), were isolated from Chinese liverwort Reboulia hemisphaerica. Their structures were elucidated by acidic hydrolysis and extensive spectroscopic methods, including 2D‐NMR techniques.
The Woodward Research Institute, Robert Burns Woodward (1917–1979) and Chemistry behind the Glass Door
Authors: Craig G. Wayne 
Published: June 2011

AbstractCertainly a highlight in the career of Nobel Laureate Professor Robert Burns Woodward (1917–1979) was the foundation of the Woodward Research Institute (WRI) at Ciba AG in Basel, Switzerland, in 1963. Woodward's remarkable accomplishments in the development of organic chemistry altered not only our concepts of molecular structure, but also our comprehension of physico‐chemical properties. In his legacy, Woodward devised innovative strategies for natural product syntheses based on brilliant rationale of their properties and an uncanny sense of Nature. The chemistry community benefited not only at Harvard but especially in Basel and Zürich from Woodward's inspiring lectures and the opportunity to learn from the chemistry Meister. This article highlights parts of the chemistry and some personalities that contributed to forefront investigations at the Woodward Research Institute which began at the former Novartis legacy company, Ciba AG, Basel.
Photocycloaddition of 4‐(Alk‐1‐ynyl)‐Substituted Coumarins and Thiocoumarins to 2,3‐Dimethylbuta‐1,3‐diene
Authors: Inhülsen Inga , Chin Karin , Göwert Maren , Margaretha Paul 
Published: June 2011

AbstractOn irradiation (350 nm) in the presence of 2,3‐dimethylbuta‐1,3‐diene (8), 4‐(alk‐1‐ynyl)coumarins 1 afford mixtures of cyclobuta‐ and cycloocta‐annulated products 9 and 10, respectively. In contrast, the corresponding thiocoumarins 2 react with the same diene chemoselectively to give cyclohexa‐annulated products 11.
Synthesis of Poly‐Aib Oligopeptides and Aib‐Containing Peptides via the ‘Azirine/Oxazolone Method’, and Their Crystal Structures
Authors: Dannecker‐Dörig Ingeborg , Linden Anthony , Heimgartner Heinz 
Published: June 2011

AbstractThe protected poly‐Aib oligopeptides Z‐(Aib)n‐N(Me)Ph with n=2–6 were prepared according to the ‘azirine/oxazolone method’, i.e., by coupling amino or peptide acids with 2,2,N‐trimethyl‐N‐phenyl‐2H‐azirin‐3‐amine (1a) as an Aib synthon (Scheme 2). Following the same concept, the segments Z‐(Aib)3‐OH (9) and H‐L‐Pro‐(Aib)3‐N(Me)Ph (20) were synthesized, and their subsequent coupling with N,N′‐dicyclohexylcarbodiimide (DCC)/ZnCl2 led to the protected heptapeptide Z‐(Aib)3‐L‐Pro‐(Aib)3‐N(Me)Ph (21; Scheme 3). The crystal structures of the poly‐Aib oligopeptide amides were established by X‐ray crystallography confirming the 310‐helical conformation of Aib peptides.
Synthesis of Benzimidazoles by Phosphine‐Mediated Reductive Cyclisation of ortho‐Nitro‐anilides
Authors: Duchek Jan , Vasella Andrea 
Published: June 2011

AbstractHeating ortho‐nitro‐anilides 1–3 and 2‐methyl‐N‐(3‐nitropyridin‐2‐yl)propanamide (5) with 4 equiv. of a phosphine led to the 2‐substituted benzimidazoles 6–8 and to the imidazo[4,5‐b]pyridine 10, respectively, in yields between 45 and 85%. Heating 1 with (EtO)3P effected cyclisation and N‐ethylation, leading to the 1‐ethylbenzimidazole 6b. The slow cyclisation of the N‐pivaloylnitroaniline 2b allowed isolation of the intermediate phosphine imide 11 that slowly transformed into the 1H‐benzimidazole 7b. The structure of 11 was established by crystal‐structure analysis. While the N‐methylated ortho‐nitroacetanilide 3 cyclised to the 1,2‐dimethyl‐1H‐benzimidazole (8), the 2‐methylpropananilide 4 was transformed into 1‐methyl‐3‐(1‐methylethyl)‐2H‐benzimidazol‐2‐one (9).
Investigation and Modeling of winter streamflow timing and magnitude under changing climate conditions for the Catskill Mountain region, New York, USA
Authors: Zion Mark S. , Pradhanang Soni M. , Pierson Donald C. , Anandhi Aavudai , Lounsbury David G. , Matonse Adao H. , Schneiderman Elliot M. 
Published: June 2011

AbstractSnowfall is an important part of the yearly water balance for the Catskill Mountains in New York State, the location of water supply reservoirs for New York City. Recent studies have shown that the effects of climate change on the hydrology of the Catskills will most likely create (1) a decrease in the proportion of precipitation falling as snow, (2) a shift in the timing of snowmelt that will cause snowmelt‐supplemented streamflow events to occur earlier in the fall and winter, and (3) a decrease in the magnitude of traditionally high April streamflow. The shift in timing of snowmelt‐influenced streamflow events is measured by the winter‐early spring centre of volume (WSCV), defined as the Julian Day on which half the total streamflow volume from January to May occurs. Studies of streamflow, precipitation, and temperature trends in the last 50 years have shown that the WSCV is already earlier by about 5–10 days. This study investigates the use of watershed‐scale snowpack and snowmelt algorithms that are incorporated in two existing watershed water quality models, Generalized Watershed Loading Functions‐Variable Source Area (GWLF‐VSA) and Soil and Water Assessment Tool (SWAT), to capture the potential effects of climate change on the timing and magnitude of streamflow during the late fall, winter, and early spring for the Catskill Mountain region. The GWLF‐VSA model reasonably simulated the recent shifts in the winter streamflow timing, with simulations over the previous 50‐year period yielding shifts in WSCV of 2–15 days. The SWAT model yielded similar results as the GWLF‐VSA simulations. Scenarios of potential climate change 100 years in the future showed a similar shift in direction of timing winter streamflow, but at a larger magnitude than observed to date with WSCV occurring 15–20 days earlier. Copyright © 2011 John Wiley & Sons, Ltd.
TDR pressure cell for monitoring water content retention and bulk electrical conductivity curves in undisturbed soil samples
Authors: Moret‐Fernández D. , Vicente J. , Latorre B. , Lera F. , Castañeda C. , López M. V. , Herrero J. 
Published: June 2011

AbstractThe water retention curve (θ(ψ)), which defines the relationship between soil volumetric water content (θ) and matric potential (ψ), is of paramount importance in characterizing the hydraulic behaviour of soils. However, few methods are so far available for estimating θ(ψ) in undisturbed soil samples. We present a new design of TDR‐pressure cell (TDR‐Cell) for estimating θ(ψ) in undisturbed soil samples. The TDR‐Cell consists of a 50‐mm‐long and 50‐mm internal diameter stainless steel cylinder (which constitutes the outer frame of a coaxial line) attached to a porous ceramic disc and closed at the ends with two aluminium lids. A 49‐mm‐long and 3‐mm‐diameter stainless steel rod, which runs longitudinally through the centre of the cylinder, constitutes the inner rod of a coaxial TDR probe. The TDR‐Cell was used to determine the θ(ψ) curves of a packed sand and seven undisturbed soil samples from three profiles of agricultural soils. These θ(ψ) curves were subsequently compared to those obtained from the corresponding 2‐mm sieved soils using the pressure plate method. Measurements of bulk electrical conductivity, σa, as a function of the water content, σa(θ), of the undisturbed soil samples were also performed. An excellent correlation (R2 = 0·988) was found between the θ values measured by TDR on the different undisturbed soils and the corresponding θ obtained from the soil gravimetric water content. A typical bimodal θ(ψ) function was found for most of the undisturbed soil samples. Comparison between the θ(ψ) curves measured with the TDR‐Cell and those obtained from the 2‐mm sieved soils showed that the pressure plate method overestimates θ at low ψ values. The σa(θ) relationship was well described by a simple power expression (R2 > 0·95), in which the power factor, defined as tortuosity, ranged between 1·18 and 3·75. Copyright © 2011 John Wiley & Sons, Ltd.
Hair dye use and risk of bladder cancer in the New England bladder cancer study
Authors: Koutros Stella , Silverman Debra T. , Baris Dalsu , Zahm Shelia Hoar , Morton Lindsay M. , Colt Joanne S. , Hein David W. , Moore Lee E. , Johnson Alison , Schwenn Molly , Cherala Sai , Schned Alan , Doll Mark A. , Rothman Nathaniel , Karagas Margaret R. 
Published: June 2011

AbstractAromatic amine components in hair dyes and polymorphisms in genes that encode enzymes responsible for hair dye metabolism may be related to bladder cancer risk. We evaluated the association between hair dye use and bladder cancer risk and effect modification by N‐acetyltransferase‐1 (NAT1), NAT2, glutathione S‐transferase Mu‐1 (GSTM1) and glutathione S‐transferase theta‐1 (GSTT1) genotypes in a population‐based case–control study of 1193 incident cases and 1418 controls from Maine, Vermont and New Hampshire enrolled between 2001 and 2004. Individuals were interviewed in person using a computer‐assisted personal interview to assess hair dye use and information on potential confounders and effect modifiers. No overall association between age at first use, year of first use, type of product, color, duration or number of applications of hair dyes and bladder cancer among women or men was apparent, but increased risks were observed in certain subgroups. Women who used permanent dyes and had a college degree, a marker of socioeconomic status, had an increased risk of bladder cancer [odds ratio (OR) = 3.3, 95% confidence interval (CI): 1.2–8.9]. Among these women, we found an increased risk of bladder cancer among exclusive users of permanent hair dyes who had NAT2 slow acetylation phenotype (OR = 7.3, 95% CI: 1.6–32.6) compared to never users of dye with NAT2 rapid/intermediate acetylation phenotype. Although we found no relation between hair dye use and bladder cancer risk in women overall, we detected evidence of associations and gene‐environment interaction with permanent hair dye use; however, this was limited to educated women. These results need confirmation with larger numbers, requiring pooling data from multiple studies.
The mothers and toddlers program, an attachment‐based parenting intervention for substance‐using women: Results at 6‐week follow‐up in a randomized clinical pilot
Authors: Suchman Nancy E. , Decoste Cindy , Mcmahon Thomas J. , Rounsaville Bruce , Mayes Linda 
Published: June 2011

AbstractPreviously, we reported posttreatment findings from a randomized pilot study testing a new attachment‐based parenting intervention for mothers enrolled in substance‐use treatment and caring for children ages birth to 3 years (N.E. Suchman, C. DeCoste, N. Castiglioni, T. McMahon, B. Rounsaville, & L. Mayes, 2010). The Mothers and Toddlers Program (MTP) is a 12‐session, weekly individual parenting therapy that aims to enhance maternal capacity for reflective functioning and soften harsh and distorted mental representations of parenting. In a randomized pilot study, 47 mothers who were enrolled in outpatient substance‐abuse treatment and caring for children between birth and 3 years of age were randomized to the MTP versus the Parent Education Program (PE), a comparison intervention that provided individual case management and developmental guidance. At the end of treatment, mothers in the MTP condition demonstrated better reflective functioning, representation quality, and caregiving behavior than did mothers in the PE condition. In this investigation, we examined whether the benefits of MTP at posttreatment were sustained at the 6‐week follow‐up. Recently, we also identified two components of parental reflective functioning: (a) a self‐focused component representing the parent's capacity to mentalize about strong personal emotions (e.g., anger, guilt, or pain) and their impact on the child and (b) a child‐focused component representing the parent's capacity to mentalize about the child's emotions and their impact on the mother (N. Suchman, C. DeCoste, D. Leigh, & J. Borelli, 2010). In this study, we reexamined posttreatment outcomes using these two related, but distinct, constructs.
Role of SF‐1 and DAX‐1 during differentiation of P19 cells by retinoic acid
Authors: Teets Bryan W. , Soprano Kenneth J. , Soprano Dianne Robert 
Published: June 2011

AbstractRetinoic acid (RA) is critical for embryonic development and cellular differentiation. Previous work in our laboratory has shown that blocking the RA‐dependent increase in pre‐β cell leukemia transcription factors (PBX) mRNA and protein levels in P19 cells prevents endodermal and neuronal differentiation. Dosage‐sensitive sex reversal, adrenal hypoplasia critical region, on chromosome X, gene 1 (DAX‐1) and steroidogenic factor (SF‐1) were found by microarray analysis to be regulated by PBX in P19 cells. To determine the roles of DAX‐1 and SF‐1 during RA‐dependent differentiation, P19 cells that inducibly express either FLAG‐DAX‐1 or FLAG‐SF‐1 were prepared. Unexpectedly, overexpression of DAX‐1 had no effect on the RA‐induced differentiation of P19 cells to either endodermal or neuronal cells. However, SF‐1 overexpression prevented the RA‐dependent loss of OCT‐4, DAX‐1 and the increase in COUP‐TFI, COUP‐TFII, and ETS‐1 mRNA levels during the commitment stages of both endodermal and neuronal differentiation. Surprisingly, continued expression of SF‐1 for 7 days caused the RA‐independent loss of OCT‐4 protein and RA‐dependent loss of SSEA‐1 expression. Despite the loss of well‐characterized pluripotency markers, these cells did not terminally differentiate into either endodermal or neuronal cells. Instead, the cells gained the expression of many steroidogenic enzymes with a pattern consistent with adrenal cells. Finally, we found evidence for a feedback loop in which PBX reduces SF‐1 mRNA levels while continued SF‐1 expression blocks the RA‐dependent increase in PBX levels. Taken together, these data demonstrate that SF‐1 plays a dynamic role during the differentiation of P19 cells and potentially during early embryogenesis. J. Cell. Physiol. 227: 1501–1511, 2012. © 2011 Wiley Periodicals, Inc.