bluuebunny/crossref_metadata_2025_split huggingface dataset:
An automatically updated S‐wave model of the upper mantle and the depth extent of azimuthal anisotropy
Authors: Debayle Eric , Dubuffet Fabien , Durand Stéphanie 
Published: January 2016

AbstractWe present 3D2015_07Sv, an S wave model of the upper mantle based on the waveform modeling of 1,359,470 Rayleigh waves recorded since 1976. The use of approximate forward theory and modeling allows updating the model with new data on a regular basis. 3D2015_07Sv contains azimuthal anisotropy, achieves a lateral resolution of ∼600 km, and is consistent with other recent models up to degree 60 in the uppermost 200 km and degree 15 in the transition zone. Although radial anisotropy has been found to extend deeper beneath continents than beneath oceans, we find no such difference for azimuthal anisotropy, suggesting that beneath most continents, the alignment of olivine crystal is preferentially horizontal and azimuthally random at large scale. As most continents are located on slow moving plates, this supports the idea that azimuthal anisotropy aligns at large scale with the present plate motion only for plates faster than ∼4 cm yr−1.
Asymmetric Synthesis of Dihydrocoumarins Containing Contiguous Quaternary and Tertiary Stereogenic Centers Catalyzed by a Cinchona‐Alkaloid‐Based Bifunctional Thiourea Derivative
Authors: Zhang Shao‐Yun , Lv Ming , Yin Shao‐Jie , Li Nai‐Kai , Zhang Jun‐Qi , Wang Xing‐Wang 
Published: January 2016

AbstractA series of enantiomerically enriched 3,4‐dihydrocoumarins containing contiguous quaternary and tertiary stereogenic centers has been efficiently constructed via domino asymmetric Michael addition/transesterification reactions of azlactones with o‐hydroxychalcones using a quinine‐derived thiourea as bifunctional organocatalyst. Under mild reaction conditions, the optically active 3,4‐dihydrocoumarins were generally obtained in 63–96% yields with >20:1 dr and 81–96% ee.magnified image
Rhodium(II)‐Catalyzed Carbenoid Insertion of N‐Tosylhydrazones into Amide NH Bonds: An Efficient Approach to N3‐Benzyl/Alkyl‐2‐arylquinazolinones
Authors: Lingayya Rajaka , Vellakkaran Mari , Nagaiah Kommu , Nanubolu Jagadeesh Babu 
Published: January 2016

AbstractDirhodium(II) acetate‐catalyzed reactions of N‐tosylhydrazones with dihydroquinazolinones bearing different types of NH bonds that give N3‐benzyl/alkyl‐2‐arylquinazolin‐4(3H)‐ones through Csp3N bond formation by oxidative dehydrogenation and insertion of rhodium‐carbenoid into amide NH bond are reported for the first time. This method features good to excellent yields, good functional group tolerance, high regioselectivity and readily available starting materials.magnified image
Multiple Roles of the Pyrimidyl Group in the Rhodium‐Catalyzed Regioselective Synthesis and Functionalization of Indole‐3‐carboxylic Acid Esters
Authors: Jiang Hui , Gao Shang , Xu Jinyi , Wu Xiaoming , Lin Aijun , Yao Hequan 
Published: January 2016

AbstractA regioselective synthesis of indole‐3‐carboxylic acid esters from anilines and diazo compounds has been realized by making use of the pyrimidyl group‐assisted rhodium‐catalyzed CH activation and CN bond formation. The reaction proceeds under mild conditions, exhibits good functional group tolerance and scalability. Reutilization of the pyrimidyl directing group in the resulting products provided an efficient strategy for further C‐7 functionalization of indoles. Moreover, the pyrimidyl moiety could be readily removed as a leaving group to offer various free NH indoles.magnified image
Efficient and Flexible Synthesis of Highly Functionalised 4‐Aminooxazoles by a Gold‐Catalysed Intermolecular Formal [3+2] Dipolar Cycloaddition
Authors: Gillie Andrew D. , Jannapu Reddy Raju , Davies Paul W. 
Published: January 2016

AbstractOxazoles are important motifs within bioactive and functional materials. Complex, fully substituted and functionalised 4‐aminooxazoles are accessed by an efficient intermolecular reaction between an ynamide and an N‐acylpyridinium N‐aminide in the presence of a gold catalyst. The formal [3+2] dipolar cycloaddition employs a nucleophilic nitrenoid approach to access the 1,3‐N,O‐dipole character in a controllable fashion. The selectivity for a cycloaddition pathway provides a stark contrast against the indiscriminate reactivity of electrophilic acyl nitrenes. Protocols for the formation of acyl‐functionalised aminides are reported from accessible precursors including carboxylic esters and acids. The function of these aminides in the oxazole‐forming reaction has been explored and it is shown that substantial elaboration is accommodated despite proximity to the reactive centre. As a result functional oxazole‐based motifs, such as chiral oxazoles with biologically pertinent substitution patterns, are readily accessible. The use of ynamide types that are unexplored or little used in gold catalysis has been evaluated. Unusual all‐heteroatom substitution patterns around the oxazole are shown to be accessible using thio‐ynamides. The study shows that a close stoichiometry of reactants is suitable alongside relatively low loadings of the bench‐stable precatalysts in practically straightforward multi‐mmol scale reactions. The efficiency and flexibility of this regioselective intermolecular preparation is demonstrated in the ready synthesis of oxazoles with substantial structural and functional group variation.magnified image
Late Stage CH Activation of a Privileged Scaffold; Synthesis of a Library of Benzodiazepines
Authors: Khan Raysa , Felix Robert , Kemmitt Paul D. , Coles Simon J. , Day Iain J. , Tizzard Graham J. , Spencer John 
Published: January 2016

AbstractA library of over twenty 5‐(2‐arylphenyl)‐1,3‐dihydro‐2H‐1,4‐benzodiazepin‐2‐ones has been formed by a microwave‐mediated late‐stage palladium‐catalysed arylation of 1,4‐benzodiazepines using diaryliodonium salts. This can also be applied to nordazepam (7‐chloro‐5‐phenyl‐1,3‐dihydro‐2H‐1,4‐benzodiazepin‐2‐one), the active metabolite of diazepam, and subsequent N‐alkylation and/or H/D exchange allows further diversification towards elaborated pharmaceuticals and their 3,3′‐deuterated analogues.magnified image
Hydrological and substrate requirements of the thick‐shelled river mussel Unio crassus (Philipsson 1788)
Authors: Stoeckl Katharina , Geist Juergen 
Published: January 2016

Abstract

Conservation and restoration strategies require knowledge of the autecology of target species. The thick‐shelled river mussel Unio crassus is an endangered freshwater bivalve with largely unknown habitat preferences. In this study, hydrological and substrate parameters including shear stress, flow velocity and penetration resistance of substrate were examined in relation to mussel presence/absence data in six streams with recruiting and self‐sustaining populations to derive information on the hydrological and substrate habitat requirements of the species.
Mean flow velocities between 0.11 and 0.31 m s−1 and absolute maximum values in the study streams ranging from 0.22 to 0.95 m s−1 indicate that the species is tolerant of a wide range of hydrological conditions.
Areas with high mussel densities were characterized by low flow velocities (<0.3 m s−1), low mean penetration resistances (0.36 ± 0.52 kg cm−2) as well as by low near‐bed shear stress (1.06 ± 0.33 x 10−6 N cm−2) compared with non‐colonized sites.
Maximum near‐bed flow velocity at mussel beds was 0.33 m s−1 and 0.35 m s−1 at 60% depth. Higher flows with maximum velocities of 0.52 m s−1 and 0.95 m s−1 at 60% depth were measured at non‐colonized sites. Mussel density was significantly negatively correlated with near‐bed shear forces.
The results indicate that the hydrological and substrate characteristics of U. crassus habitat are broader than expected. In contrast to the assumption that it depends on moderate to high flows (>0.3 m s−1), streams with low water flow and soft substrate were also identified as suitable habitats.
Functional characteristics of the substrate, especially stability and areas with low shear stress (<1.5 N cm−2), seem to be of great importance for the persistence of the species, and monitoring protocols used at present for habitat assessment of U. crassus should be updated.
Copyright © 2016 John Wiley & Sons, Ltd.
Nostalgia's fulfillment of agentic and communal needs: How different types of self‐concepts shape consumer attitudes toward nostalgia
Authors: Nam Jiyeon , Lee Yun , Youn Nara , Kwon Kyoung‐Min 
Published: January 2016

AbstractThis research investigates how consumers' different types of self‐concepts (agentic vs. communal) shape their attitudes toward nostalgia. Experiment 1, using a two (self‐concept: agentic vs. communal) by two (nostalgia: nostalgic vs. non‐nostalgic) between‐subjects design and a series of multivariate analysis of variance and Hayes's PROCESS Model 8, showed that agentic and communal participants' preference was not increased in the non‐nostalgic condition but was increased in the nostalgic condition. Self‐concept indirectly influenced participants' preference for the nostalgic product through different functions of nostalgia; Agentic participants' likelihood of buying a nostalgic product and recommending it to others increased through enhanced self‐positivity, whereas communal participants' likelihood of buying a nostalgic product and recommending it to others increased through enhanced social connectedness. In Experiment 2, these results were replicated in the context of a public education campaign, and participants' chronic self‐concepts were measured. Participants with different chronic self‐concept tendencies were randomly assigned to nostalgic or non‐nostalgic conditions and were asked to indicate their attitudes toward the campaign. As in Experiment 1, a series of regression and Hayes' PROCESS Model 8 revealed that agentic and communal participants' attitudes were not enhanced in the non‐nostalgic condition but were enhanced in the nostalgic condition. Agentic (communal) individuals' favorability toward the nostalgic message about advocacy increased through enhanced self‐positivity (social connectedness). It appears that consumers with different self‐concepts (agentic vs. communal) experience enhanced feelings relevant to their self‐concepts (self‐positivity vs. social connectedness) when presented with nostalgic appeals for an object, and these heightened feelings drive an increased preference for it. Copyright © 2016 John Wiley & Sons, Ltd.
Occurrence of Enantioselectivity in Nature: The Case of (S)‐Norcoclaurine
Authors: Ghirga Francesca , Quaglio Deborah , Ghirga Patrizio , Berardozzi Simone , Zappia Giovanni , Botta Bruno , Mori Mattia , D'Acquarica Ilaria 
Published: January 2016

AbstractThis review article is aimed at providing a monographic overview on (S)‐norcoclaurine (NC) alkaloid from three diverse points of view, collected all together for the first time: 1) the synthetic one, where the compound is seen as a target chiral molecule to be obtained in the highest optical purity and as a starting point for the development of biocatalytic asymmetric syntheses of tetrahydroisoquinoline alkaloids; 2) the chromatographic one, which addresses the HPLC separation of the two NC enantiomers; and 3) the biochemical one, for which a thorough understanding of the topology and mechanism of action of norcoclaurine synthase (NCS) enzyme is still a matter of debate. Special emphasis on the most recent studies in the field is given by discussing the results published by the main research groups who are working on NC and NCS. Chirality 28:169–180, 2016. © 2016 Wiley Periodicals, Inc.
Numerical simulation of transient dynamic behavior of healthy and hardened red blood cells in microcapillary flow
Authors: Hashemi Z. , Rahnama M. 
Published: January 2016

SummaryIn a number of human diseases such as diabetes mellitus and sickle cell anemia, variations in mechanical properties of red blood cells (RBCs) occur and cause reduced deformability. Investigating the behavior of such abnormal, hardened RBCs in microcapillary flow is of prime importance because of their effects on oxygen transport process. In the present paper, dynamic response of a RBC to a microcapillary flow is numerically studied at steady and transient conditions, considering the effect of essential parameters including RBC deformability, its initial orientation, velocity, and flow pressure gradient. Simulations are performed using a three‐dimensional hybrid method, combining lattice Boltzmann method for plasma flow, finite element method for RBC membrane analysis, and immersed boundary method for their interaction. Quantitative and qualitative validations with the experimental data for different RBC velocities verify the accuracy of applied numerical method. Apart from the initial orientation, RBC experiences a complex shape deformation in which the biconcave discoid shape changes to a parachute‐like shape. While deformation index of RBC does not change considerably with RBC deformability at steady state condition, it plays an important role in its shape evolution under transient condition. Copyright © 2016 John Wiley & Sons, Ltd.
Liver cancer arterial perfusion modelling and CFD boundary conditions methodology: a case study of the haemodynamics of a patient‐specific hepatic artery in literature‐based healthy and tumour‐bearing liver scenarios
Authors: Aramburu Jorge , Antón Raúl , Rivas Alejandro , Ramos Juan Carlos , Sangro Bruno , Bilbao José Ignacio 
Published: January 2016

SummarySome of the latest treatments for unresectable liver malignancies (primary or metastatic tumours), which include bland embolisation, chemoembolisation, and radioembolisation, among others, take advantage of the increased arterial blood supply to the tumours to locally attack them. A better understanding of the factors that influence this transport may help improve the therapeutic procedures by taking advantage of flow patterns or by designing catheters and infusion systems that result in the injected beads having increased access to the tumour vasculature. Computational analyses may help understand the haemodynamic patterns and embolic‐microsphere transport through the hepatic arteries. In addition, physiological inflow and outflow boundary conditions are essential in order to reliably represent the blood flow through arteries. This study presents a liver cancer arterial perfusion model based on a literature review and derives boundary conditions for tumour‐bearing liver‐feeding hepatic arteries based on the arterial perfusion characteristics of normal and tumorous liver segment tissue masses and the hepatic artery branching configuration. Literature‐based healthy and tumour‐bearing realistic scenarios are created and haemodynamically analysed for the same patient‐specific hepatic artery. As a result, this study provides boundary conditions for computational fluid dynamics simulations that will allow researchers to numerically study, for example, various intravascular devices used for liver disease intra‐arterial treatments with different cancer scenarios. Copyright © 2016 John Wiley & Sons, Ltd.
Employment of Molecularly Imprinted Polymers to High‐Throughput Screen nNOS‐PSD‐95 Interruptions: Structure and Dynamics Investigations on Monomer–Template Complexation
Authors: Wang Yongwei , Zhao Ting , Dai Peng , Jiang Nan , Li Fei 
Published: January 2016

AbstractMolecularly imprinted polymers (MIPs) are employed to screen nNOS‐PSD‐95 (neuronal nitric oxide synthase post‐synaptic density protein‐95) interruptions. 5‐(3,5‐Dichloro‐2‐hydroxybenzylamino)‐2‐hydroxybenzoic acid (ZL006; a potential drug candidate for the treatment of stroke, depression, and pain) is employed as a template. Four kinds of functional monomers (2‐VP: 2‐vinylpyridine; 4‐VP: 4‐vinylpyridine; MMA: methyl methacrylate; and MAAM: methacrylamide) are designed, and their complexation with ZL006 in various solvents (methanol, acetonitrile, toluene, chloroform) is investigated by molecular dynamics simulations and quantum mechanics calculations. Both 4‐VP and MAAM have stronger interactions with ZL006 than those of 2‐VP and MMA. The appropriate ratio of monomer to template is 3:1. Intermolecular hydrogen bonds play a dominant role in monomer–template complexation. Ideal solvents are toluene and chloroform, and the solvation effect on monomer–template complexation is revealed. Both molecular modeling and adsorption experiments demonstrate that as‐synthesized ZL006‐MIP with 4‐VP as a monomer has better selectivity than that employing MAAM to screen for nNOS‐PSD‐95 interruptions.
Pharmacologic effects of (2‐(2,6‐dimethylphenoxy) propyl) trimethyl ammonium chloride hydrate in hypertensive patients
Authors: Rosenfeld Joseph B. , Straughn Jane , Moyer John H. 
Published: January 2016

The effect of SKF 6890 given intravenously was studied in 10 normotensive subjects and 10 hypertensive patients. It was found that both groups of patients were responsive and an effective dose was 2.5 mg. per kilogram. The drug blocks levarterenol effects (adrenergic blockade). Bioassay studies revealed that the average effective oral dose was around 800 mg.The compound depresses glomerular filtration rate and renal blood flow when the blood pressure decreases and this is followed by a slight increase of these parameters at the end of the second and third hours. The urinary volume and the sodium and potassium excretion are reduced as the glomerular filtration rate decreases. In long‐term experiments, it appears that patients develop tolerance to SKF 6890. After 6 weeks, less than one‐fourth of the patients continue to be responsive. The pharmacological observations indicate, however, that this is a new and effective antihypertensive agent which should be used as the basis for synthesizing new compounds of this type.
Nitrofurantoin (Furadantin) in the biliary tract
Authors: Feder Isidore A. , Kahn Alvin I. , Flores Angeles , Tager Bernard 
Published: January 2016

Twiss and his co‐worker's reported that the oral administration of nitrofurantoin produced bactericidal levels of the drug in the bile. The organisms which infect the biliary tract are frequently the same as those which infeet the urinary tract. They therefore inferred that nitrofurantoin should be a valuable agent in treating infections of the biliary tract. We were unable to eradicate infections in the biliary tract even though the organisms isolated from culture of the bile were sensitive to the action of nitrofurantoin in vitro. Therefore we decided to repeat the studies of Twiss and his associates.Following the oral administration of adequate doses of nitrofurantoin, the levels of this drug were studied in bile specimens obtained trom the gall bladder by T‐tube drainage and duodenal tube drainage. Blood levels were also determined. Nitrofurantoin levels were far below those obtained by Twiss. In no instance was there any bactericidal activity of nitrofurantoin observed at levels present in the bile during treatment. Nitrofurantoin is therefore ineffective in treatment oi infections of the biliary tract.
Abnormal symptoms, signs, and laboratory tests during treatment with phenothiazine derivatives
Authors: Hollister Leo E. , Caffey Eugene M. , Klett C. James 
Published: January 2016

Complications were neither frequent nor severe in 599 newly admitted schizophrenie patients treated for 12 weeks with chlorpromazine, triflupromazine, mepazine, prochlorperazine, perphenazine, and phenobarbital. Twelve patients were dropped from treatment because of adverse symptoms or signs, 5 because of hematologic abnormalities, and 4 because of deviant hepatic tests.Many abnormal symptoms and signs generally thought to be associated with phenothiazine drug therapy also occurred during treatment with phenobarbital. Leucopenia was not significantly more frequent from phenothiazines than from phenobarbital. No significant differences in abnormal hepatic tests were noted between the 6 agents. Most abnormal tests wem isolated alld spomdic. No frank case of intrahepatic obstructive jaundice was observed. Changes in body temperature, pulse rate, and blood pressure were uncommon, with no significant differences in frequency between the drug regimens.Not all abnormalities in symptoms, signs, and laboratory tests which occurred during treatment can be attributed to it. At least some must be spontaneous fluctuations in the population studied.
Clinical pharmacology of digitalis materials
Authors: Modell Walter 
Published: January 2016

The pharmacologic actions of digitalis which have been observed in the laboratory animal and in man are reviewed and correlated. It is shown how, in most instances, the findings in the former have a direct bearing on the application of digitalis materials in the clinic. An attempt is made to clarify some of the more poorly understood aspects of digitalis action.Cardiac slowing by digitalis is explored and explained in some detail. The basis of digitalis dosage and cumulation is discussed. An attempt is made to indicate how knowledge of the pharmacologic actions of digitalis materials can be used to better exploit them therapeutically.
Vitamin K1 and the vitamin K analogues
Authors: Finkel Marion J. 
Published: January 2016

The use of vitamin K1 and various preparations with vitamin K activity in the treatment of hypoprothrombinemic states has long been a well‐established procedure. Because the K analogues have often been popularly referred to as vitamin K, confusion has arisen regarding the relationship between these compounds and the true vitamin K. Two types of vitamin K have been found in Nature: vitamin K1, present in various green vegetables, cereals, seeds, tomatoes, and liver, and vitamin K2 isolated from putrefied fish meal. The former has been synthesized and represents the commercially available form of the true vitamin. The K analogues were originally synthesized in an attempt to find compounds with more potent antihemorrhagic activity or substances which could be administered more easily than the early preparations of vitamin K1.This article reviews pertinent aspects of the voluminous literature on vitamin K1 and the K analogues and presents the recorded differences (or similarities) in effectiveness and toxicity between the two types of compounds in various clinical states.
Differential patterning of behavioral effects from three types of stimulant drugs
Authors: Dureman E. I. 
Published: January 2016

The effects of the new drug 5‐phenyl‐2‐imino‐4‐oxo‐oxazolidine (PIO) in young normal subjects were compared with amphetamine and caffeine 3 and 6 hours after oral administration. The test battery included a difficult code‐tracking task performed under forced speed conditions, a needle‐threading test for assessment of fine motor coordination, flicker fusion, and the Archimedes spiral. Pulse rate was recorded as a check for undesirable circulatory effects.The results point to the conclusion that PIO has a much more potent facilitating effect on code‐tracking performance under speed stress than amphetamine or caffeine. A slight improvement in fine motor coordination after 3 hours was observed only under amphetamine. Caffeine but not PIO caused a decrement in the same test parameter after both 3 and 6 hours. Increased duration of visual movement aftereffect was observed 3 hours after amphetamine, caffeine, and PIO, this effect being most persistent after amphetamine. The average increase in pulse rate over 6 hours after amphetamine was 4.6 beats per minute, after caffeine 1.8, and after PIO 0.7.