bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flow prediction in cerebral aneurysms based on geometry reconstruction from 3D rotational angiography
Authors: Mikhal J. , Kroon D.J. , Slump C.H. , Geurts B.J. 
Published: June 2013

SUMMARYWe present an immersed boundary (IB) method for the simulation of steady blood flow inside a realistic cerebral aneurysm. We reconstruct a segment of the cerebrovascular system that contains an aneurysm, by using medical images obtained with three dimensional rotational angiography (3DRA). The main focus is on evaluating the sensitivity of flow predictions to the various steps of the vascular reconstruction process. Starting from the raw medical data, we analyze the fluid‐mechanical consequences of the steps needed to generate the IB masking function for our simulations. We illustrate the IB method by applying it to a realistic aneurysm and investigate the role of (i) numerical resolution of the geometry; (ii) the selection of the specific vascular segment used in the simulations; and (iii) the influence of the smoothness of the periodic vessel extension to complete the computational model. Because of an unavoidable degree of uncertainty in the medical images, the geometry of the vessels and the aneurysm can be reconstructed only approximately. We also incorporate these slight uncertainties in the masking function by introducing inner and outer ‘bounding’ geometries and analyze the sensitivity of the flow predictions to these variations in the masking function. The numerical solutions computed in the inner and outer bounding geometries provide practical upper and lower bounds for basic flow properties, thus quantifying the reliability of the numerical solution, subject to uncertainties in the geometry of the flow domain. Copyright © 2013 John Wiley & Sons, Ltd.
CO Adsorption on N2‐Precovered NaY Faujasite: A FTIR Analysis of the Resulting Adsorbed Species
Authors: Cairon Olivier 
Published: June 2013

AbstractTo productively complete the information regarding the reversible adsorption of a gas mixture on the micropores of cationic zeolites, the adsorption of the two gases N2 and CO on NaY faujasite is taken as a model case study. We analyze herein CO adsorption (77 K) on two distinct N2‐precovered NaY sets (low and medium). We outline the continuous desorption of N2 adducts during CO admittance to full N2 desorption for the highest CO loadings. These features contrast with preceding results obtained for N2 loading on CO‐precovered NaY. By comparing these results with the sole CO admission and combining both studies regarding the co‐adsorption sets, we demonstrate the influence of the basic strength of the two gases regarding the nature of the surface‐adsorbed species formed. We also propose and discuss a hypothesis regarding the formation of adsorbed mixed species having both N2 and CO as ligands. These new findings strengthen the statistical response of IR signatures as a helpful proposal for analyzing adsorbed species and their assignments. This survey completes the molecular understanding of gas‐mixture adsorption that lacks experimental data to date.
Aromatic Chemicals by Iron‐Catalyzed Hydrotreatment of Lignin Pyrolysis Vapor
Authors: Olcese Roberto Nicolas , Lardier George , Bettahar Mohammed , Ghanbaja Jaafar , Fontana Sébastien , Carré Vincent , Aubriet Frédéric , Petitjean Dominique , Dufour Anthony 
Published: June 2013

AbstractLignin is a potential renewable material for the production of bio‐sourced aromatic chemicals. We present the first hydrotreatment of lignin pyrolysis vapors, before any condensation, using inexpensive and sustainable iron–silica (Fe/SiO2) and iron‐activated carbon (Fe/AC) catalysts. Lignin pyrolysis was conducted in a tubular reactor and vapors were injected in a fixed bed of catalysts (673 K, 1 bar) with stacks to investigate the profile of coke deposit. More than 170 GC‐analyzable compounds were identified by GCxGC (heart cutting)/flame ionization detector mass spectrometry. Lignin oligomers were analyzed by very high resolution mass spectrometry, called the “petroleomic” method. They are trapped by the catalytic fixed bed and, in particular, by the AC. The catalysts showed a good selectivity for the hydrodeoxygenation of real lignin vapors to benzene, toluene, xylenes, phenol, cresols, and alkyl phenols. The spent catalysts were characterized by temperature‐programmed oxidation, transmission electron microscopy (TEM), and N2 sorption. Micropores in the Fe/AC catalyst are completely plugged by coke deposits, whereas the mesoporous structure of Fe/SiO2 is unaffected. TEM images reveal two different types of coke deposit: 1) catalytic coke deposited in the vicinity of iron particles and 2) thermal coke (carbonaceous particles ≈1 μm in diameter) formed from the gas‐phase growth of lignin oligomers.
Transformation between linear network features in convolution approach
Authors: Székely Vladimír , Szalai Albin 
Published: June 2013

AbstractThis paper deals with the description of general linear passive circuit features by using convolution equations. For this purpose, the variables of linear networks are transformed to the logarithmic scale, which is widely used in the case of frequency variable. On the other hand, it is an unconventional method for complex frequency and time variables.The introduced relations are suitable for complex calculations in a direct and simple way. Copyright © 2013 John Wiley & Sons, Ltd.
Partnerships and Sustainable Development: the Lessons Learned from International Biodiversity Governance
Authors: Visseren‐Hamakers Ingrid J. 
Published: June 2013

ABSTRACTOver the past decade, partnerships have increasingly become a popular governance instrument for sustainable development. This article aims to improve our understanding of this instrument, and its contributions to and consequences for international sustainable development politics, by providing the lessons learned from international biodiversity governance. The article analyses 24 international partnerships working on forests, fisheries, conservation and climate change, using perspectives based on regime, governance and partnership literature. It concludes that the contribution of the partnerships should be evaluated as varying: only seven 'gems' of partnerships fulfil important governance functions; the others play less paramount roles. Partnerships have, however, contributed to the ongoing change in the manner in which biodiversity is governed, namely the institutionalization of intersectoral governance. The article promotes a more strategic use of the partnership instrument, taking into account its opportunities and limitations, to strengthen its contributions to international sustainable development. Copyright © 2013 John Wiley & Sons, Ltd and ERP Environment.
Iron‐Catalyzed Ferrocenylmethanol OH Substitution by S, N, P, and C Nucleophiles
Authors: Mazzoni Rita , Salmi Mauro , Zacchini Stefano , Zanotti Valerio 
Published: June 2013

AbstractThe iron complex [Fp][OTf] {Fp+ = [Fe(CO)2(Cp)]+, OTf– = SO3CF3–} is an efficient catalyst for the direct substitution of the OH group in ferrocenylmethanol [Fc–CH2OH] by thiols, aromatic amines, diphenylphosphane, and carbon nucleophiles (furan, pyrrole, and indole). This approach offers a convenient route to ferrocenes containing side chains with different functional groups. The advantages of the method are associated with the use of a catalyst based on iron, which is a nontoxic and readily available transition metal, and in the direct OH substitution, which produces water as the only byproduct.
Two‐dimensional radial μ‐law companding quantiser for Laplacian source
Authors: Perić Zoran H. , Petković Marko D. 
Published: June 2013

AbstractThis paper provides analysis of two‐dimensional radial μ‐law companding quantiser for quantisation and coding of a signal that has Laplacian distribution. Closed‐form expressions are obtained, both for the distortion and the bitrate of an output signal. An approximate expression for the required number of radial levels is also given, as well as an algorithm for computing its exact value. Complete procedure is demonstrated on a few numerical examples, and a comparison is performed with classical scalar μ‐law companding quantiser. It is shown that our model improves maximal SQNR value for 3.5 dB, and has narrower characteristics in a wide range of input signal power. Among many others, the application in the speech coding is described in details.Copyright © 2013 John Wiley & Sons, Ltd.
Lemierre syndrome: Study of 11 cases and literature review
Authors: Righini Christian Adrien , Karkas Alexandre , Tourniaire Romain , N'Gouan Jean‐Michel , Schmerber Sébastien , Reyt Emile , Atallah Ihab 
Published: June 2013

AbstractBackgroundLemierre syndrome is a rare but serious illness that associates throat infection and thrombosis of the internal jugular vein (IJV) or one of its tributaries with subsequent distant septic emboli. The purpose of our study was to review the pathogenesis, clinical presentation, and treatment of this disease.MethodsPatients with confirmed Lemierre syndrome were included in our retrospective monocentric study. All patients had bacteriologic analyses as well as radiologic imaging.ResultsThere were 11 patients in our study (from 1998–2012). Fusobacterium necrophorum was responsible for the infection in 45% of cases. Surgical drainage of pharyngeal, cervical, or mediastinal abscesses was carried out in 8 cases. All patients received broad‐spectrum antibiotics. Six patients were admitted to the intensive care unit (ICU). One patient (9%) died.ConclusionTreatment with broad‐spectrum antibiotics is the primary choice of treatment of Lemierre syndrome. Surgery is indicated in case of abscess formation. © 2013 Wiley Periodicals, Inc. Head Neck 36: 1044–1051, 2014
Salicassin, an Unprecedented ChalconeDiterpene Adduct and a Quinone Methide Triterpenoid from Maytenus salicifolia
Authors: Magalhães Cássia G. , de Fátima Silva Grácia D. , Duarte Lucienir P. , Bazzocchi Isabel L. , Diaz Antonio J. , Moujir Laila , López Manuel R. , Figueiredo Rute C. , Vieira Filho Sidney A. 
Published: June 2013

AbstractIn continuation of our work on Maytenus salicifolia, we report herein the isolation and structural elucidation of two new compounds, salicassin (1), a diterpene‐chalcone adduct with an unprecedented C‐framework, and (16β)‐16‐hydroxypristimerin (2), a quinone methide triterpenoid. Their structures were elucidated on the basis of spectroscopic analysis, including 1D‐ and 2D‐NMR techniques (COSY, ROESY, HSQC, and HMBC). In addition, 22 known compounds were isolated and characterized by comparison of their spectra with reported data. Compound 2, structurally related to the well known cytotoxic quinone methide triterpenoids, exhibited an antiproliferative effect on HeLa, A‐549, and HL‐60 human cell lines, with IC50 values of 2.2, 3.2, and 2.7 μM, respectively.
New Triterpenes from Gymnema sylvestre
Authors: Zarrelli Armando , DellaGreca Marina , Ladhari Afef , Haouala Rabiaa , Previtera Lucio 
Published: June 2013

AbstractPhytochemical investigation of the aerial parts of Gymnema sylvestre has led to the isolation of seven new triterpenes, six oleane types (5, 7–11) and a new lupane type (12), and of the six known analogues 1–4, 6, and 13. The structures and relative configurations of these compounds were elucidated by spectroscopic analyses, including 1D‐ and 2D‐NMR spectroscopy and mass spectrometry, and by the comparison of their NMR data with those of related compounds.
Biotransformation of Jervine by Cunninghamella echinulata
Authors: Chen Ke‐Yu , Lü Yi‐Feng , Zhang Wei‐Dong , Tang Jian , Liu Run‐Hui , Li Hui‐Liang 
Published: June 2013

AbstractBiotransformation of jervine (1) by Cunninghamella echinulata (ACCC 30369) was carried out. Four biotransformation products were obtained, and three of them, 3–5, were identified as new compounds. On the basis of their NMR and mass‐spectral data, their structures were characterized as jervinone (2), 7α‐hydroxyjervine (3), 14α‐hydroxyjervine (4), and 1β,7α‐dihydroxyjervine (5). The X‐ray diffraction structure of 1 is also reported for the first time.
One‐Pot Synthesis of 5,7,8,9,9a,10‐Hexahydro‐8‐thioxotetrahydropyrido[2,3‐d : 6,5‐d′]dipyrimidine‐2,4,6(1H,3H,5aH)‐triones via a Four‐Component Coupling Reaction of Aldehydes, Amines, Barbituric Acids, and Thiouracil
Authors: Khalafi‐Nezhad Ali , Panahi Farhad , Golesorkhi Bahman 
Published: June 2013

AbstractAn efficient one‐pot approach to the synthesis of 5,7,8,9,9a,10‐hexahydro‐8‐thioxopyrido[2,3‐d : 6,5‐d′]dipyrimidine‐2,4,6(1H,3H,5aH)‐triones 5 via a four‐component reaction of an aldehyde 1, an amine 2, a barbituric acid 3, and thiouracil (4) is reported for the first time. This new multicomponent reaction is accomplished in refluxing EtOH in the presence of tungstophosphoric acid (H3PW12O40) as a catalyst. A variety of hexahydropyrido[2,3‐d : 6,5‐d′]dipyrimidinetrione derivatives were successfully synthesized in excellent yields with this protocol (Table 2).
Phytochemical Investigation by Microwave‐Assisted Extraction of Essential Oil of the Leaves of Walnut Cultivated in Algeria
Authors: Boukhari Fayçal , Tigrine‐Kordjani Nacéra , Youcef Meklati Brahim 
Published: June 2013

AbstractWalnut (Juglans regia L.) leaves are used traditionally as an herbal tea indicated for non‐insulin‐dependent diabetics. In recent years, the type‐II diabetes is occurring worldwide with increasing frequency. Thus, there is an urgent need to explore the new beneficial biomolecules on the human health. Our objective was to investigate, for the first time, the volatiles profile of Juglans regia L. leaves from Algiers region. The extraction of essential oil of fresh plant material was performed by microwave‐assisted hydrodistillation (MAHD), for the first time, a relatively recent method, then by the conventional hydrodistillation technique (HD) for comparison. The collected extracts were analyzed by GC‐FID and GC/MS using two capillary columns with different polarity. Extraction time of 1 h by MAHD provided higher yields (0.050±0.001% (w/w)) than by HD (0.030±0.006% (w/w)) after 3 h. A total of 38 compounds were identified using both techniques. Essential oils had similar qualitative but different quantitative composition in terms of chemical compounds. The MAHD method improved yield while reducing the extraction time. The sesquiterpenes were the dominant family in both MAHD and HD essential oils with β‐caryophyllene being the major constituent. Monoterpenes, including hydrocarbon and oxygenated, prevail in HD volatile fraction with β‐pinene and eucalyptol, respectively, as major components.
Two Halogenated Sesquiterpenoids from the Fruits of Alpinia oxyphylla
Authors: Chen Ping , Qu Lei , Tian Li , Wang Pei‐Pei , Xiang Lan 
Published: June 2013

AbstractTwo new halogenated eremophilane‐type sesquiterpenoids, (11S)‐ and (11R)‐12‐chloronootkaton‐11‐ol (1 and 2, resp.), together with five known sesquiterpenoids, nootkatone (3), 7‐epiteucrenone B (4), oxyphyllenodiol A (5), oxyphyllenodiol B (6), and alpinenone (7), were isolated from the EtOH extract of the fruits of Alpinia oxyphylla Miq. The structures were elucidated based on the analyses of their spectroscopic data.
Diterpenes from Xylopia langsdorffiana
Authors: dos Santos Paula F. , Duarte Marcelo C. , Bezerra Denise Aline C. , de F. Agra Maria , Barbosa Filho José M. , da Silva Marcelo S. , Tavares Josean F. 
Published: June 2013

AbstractThe phytochemical investigation of Xylopia langsdorffiana A.St.‐Hil. & Tul. led to the isolation of eight diterpenes, i.e., of the four new compounds (5β,7β,8α,9β,10α,12α)‐atisane‐7,16‐diol 7‐acetate (1), named xylodiol 7‐acetate, (5β,8α,9β,10α,12α)‐16‐hydroxyatisan‐7‐one (2), named xylopinone, (3α,12Z)‐3‐hydroxy‐ent‐labda‐8(20),12,14‐trien‐18‐oic acid (3), named labdorffianic acid A, and 8,20‐epoxy‐13‐hydroxy‐ent‐labd‐14‐en‐18‐oic acid (4), named labdorffianic acid B, and of the four known compounds 5–8, i.e., ent‐kauran‐16‐ol, ent‐kaur‐16‐en‐19‐oic acid, ent‐kaur‐16‐en‐19‐ol, and ent‐trachyloban‐18‐oic acid. The structures were established by IR, HR‐ESI‐MS, and NMR data analysis with the aid of 2D techniques.
Unusual Guaiane Sesquiterpenoids from Artemisia rupestris
Authors: Xie Zhi‐Yong , Lin Ting‐Ting , Yao Mei‐Cun , Wan Jin‐Zhi , Yin Sheng 
Published: June 2013

AbstractTwo new guaiane sesquiterpenoids, (1β,5β)‐1‐hydroxyguaia‐4(15),11(13)‐dieno‐12,5‐lactone (1) and 1,5‐epoxy‐4‐hydroxyguai‐11(13)‐en‐12‐oic acid (2), together with five known compounds, rupestonic acid (3), strobilactone A (4), antiquorin (5), isosclerone (6), and 5‐hydroxy‐2′,3′,4′,7,8‐pentamethoxyflavone (7), were isolated from a 95% EtOH extract of Artemisia rupestris. Compounds 1 and 2 are rare examples of guaiane sesquiterpenoids, incorporating a 12,5‐lactone group or featuring a 1,5‐epoxy ring, respectively. The structures of 1 and 2 were identified by various spectroscopic methods. Compounds 1, 4, and 5 exhibited moderate cytotoxic activities against the human lung cancer 95‐D cell line with IC50 values of 11.3, 19.8, and 34.5 μM, respectively.
Organic Stereochemistry. Part 6
Authors: Vistoli Giulio , Testa Bernard , Pedretti Alessandro 
Published: June 2013

AbstractFollowing the previous Part on the mechanisms of chiral recognition in pharmacology, the road was open to cover one aspect of stereoselectivity that had been evoked in Part 5 but not discussed explicitly, namely the pharmacological significance of the conformational behavior of active molecules. There, we saw how ligands and binding sites adapt to each other, but these results were not related explicitly to the conformational behavior of the ligand. The focus of the present Part is to use a few well‐known drugs, examine their conformational behavior, compare the 3D geometry of probable conformers with rigid analogs acting at the same receptor, and reflect on the concept of ‘active conformation’.
Hypenol, a New Lignan from Hypenia salzmannii
Authors: Sousa de Lucena Hellane Fabricia , Madeiro Sara Alves Lucena , Siqueira Caroline Duarte , Filho José Maria Barbosa , de Fátima Agra Maria , da Silva Marcelo Sobral , Fechine Tavares Josean 
Published: June 2013

AbstractA new lignan, (−)‐secoisolariciresin‐9‐yl 6‐O‐p‐coumaroyl‐β‐D‐glucopyranoside (1), named hypenol, along with eleven known compounds, i.e., hyperin, rosmarinic acid, methyl rosmarinate, a mixture of the triterpenes betulinic acid, ursolic acid, and oleanolic acid, glycosylated β‐sitosterol, a mixture of the flavanones sakuranetin and isosakuranetin, hinokinin, and β‐peltatin A dimethyl ether were isolated from the EtOH extract of the leaves of Hypenia salzmannii (Benth.) Harley. The structures of the compounds were elucidated based on the analysis of spectral data, including MS, 1D‐ and 2D‐NMR, and comparison with data in the literature.
Electrochemical Phenylselenoetherification as a Key Step in the Synthesis of (±)‐Curcumene Ether
Authors: Stevanović Dragana , Pejović Anka , Damljanović Ivan S. , Vukićević Mirjana D. , Dobrikov Georgi , Dimitrov Vladimir , Denić Marija S. , Radulović Niko S. , Vukićević Rastko D. 
Published: June 2013

AbstractTwo variants of a new pathway for the synthesis of (±)‐curcumene ether are described. The key steps in these procedures are intramolecular cyclizations of 6‐methyl‐2‐(4‐methylphenyl)hept‐6‐en‐2‐ol and 2‐methyl‐6‐(4‐methylphenyl)hept‐6‐en‐2‐ol by means of an electrochemically generated phenylselenyl cation. This synthetic approach provides significantly better yields than the previously reported protocols.
Role of porosity and pore architecture in the in vivo bone regeneration capacity of biodegradable glass scaffolds
Authors: Sanzana Edgardo S. , Navarro Melba , Ginebra Maria‐Pau , Planell Josep A. , Ojeda Alvaro C. , Montecinos Hernan A. 
Published: June 2013

AbstractThe aim of this work is to shed light on the role of porosity and pore architecture in the in vivo bone regeneration capacity of biodegradable glass scaffolds. A calcium phosphate glass in the system P2O5–CaO–Na2O–TiO2 was foamed using two different porogens, namely albumen and hydrogen peroxide (H2O2); the resulting three‐dimensional porous structures were characterized and implanted in New Zealand rabbits to study their in vivo behavior. Scaffolds foamed with albumen displayed a monomodal pore size distribution centered around 150 μm and a porosity of 82%, whereas scaffolds foamed with H2O2 showed lower porosity (37%), with larger elongated pores, and multimodal size distribution. After 12 weeks of implantation, histology results revealed a good osteointegration for both types of scaffolds. The quantitative morphometric analysis showed the substitution of the biomaterial by new bone in the case of glasses foamed with albumen. In contrast, bone neoformation and material resorption were significantly lower in the defects filled with the scaffolds foamed with H2O2. The results obtained in this study showed that both calcium phosphate glass scaffolds were osteoconductive, biocompatible, and biodegradable materials. However, differences in porosity, pore architecture, and microstructure led to substantially different in vivo response. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1767–1773, 2014.
Microbial toxicity of ethanolamines—Multiwalled carbon nanotubes
Authors: Zardini Hadi Zare , Davarpanah Morteza , Shanbedi Mehdi , Amiri Ahmad , Maghrebi Morteza , Ebrahimi Leila 
Published: June 2013

AbstractIn the present study, antimicrobial activities of multiwalled carbon nanotubes (MWCNTs) functionalized with ethanolamine (EA) groups were investigated. Therefore, MWCNT were first functionalized with mono‐, di‐, and triethanolamine (MEA, DEA, and TEA) under microwave technique. Development of functional groups on the MWCNT surface was confirmed by Fourier transform infrared and thermogravimetric analysis. Morphological variation was investigated by transmission electron microscopy. Then, antimicrobial activities of pristine and functionalized MWCNT (MWCNT‐MEA, ‐DEA, and ‐TEA) were tested against different bacteria species. The studies have been done on four Gram‐negative bacteria (Escherichia coli, Klebsiella pneumonia, Pseudomonas aeroginosa, and Salmonella typhimurium) as well as four Gram‐positive bacteria (Bacillus subtilis, Staphylococcus aureus, Bacillus cereus, and Streptococcus pneumonia). The results based on minimal inhibitory concentration and radial diffusion assay were shown that the antimicrobial activity of MWCNT‐TEA > MWCNT‐DEA > MWCNT‐MEA > pristine MWCNT. Based on the results, it seems that EA groups could play an important role in antimicrobial activity of MWCNT. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1774–1781, 2014.
In vivo study of the biocompatibility of a novel compressed collagen hydrogel scaffold for artificial corneas
Authors: Xiao Xianghua , Pan Shiyin , Liu Xianning , Zhu Xiuping , Connon Che John , Wu Jie , Mi Shengli 
Published: June 2013

AbstractThe experiments were designed to evaluate the biocompatibility of a plastically compressed collagen scaffold (PCCS). The ultrastructure of the PCCS was observed via scanning electron microscopy. Twenty New Zealand white rabbits were randomly divided into experimental and control groups that received corneal pocket transplantation with PCCS and an amniotic membrane, respectively. And the contralateral eye of the implanted rabbit served as the normal group. On the 1st, 7th, 14th, 21st, 30th, 60th, 90th, and 120th postoperative day, the eyes were observed via a slit lamp. On the 120th postoperative day, the rabbit eyes were enucleated to examine the tissue compatibility of the implanted stroma. The PCCS was white and translucent. The scanning electron microscopy results showed that fibers within the PCCS were densely packed and evenly arranged. No edema, inflammation, or neovascularization was observed on ocular surface under a slit lamp and few lymphocytes were observed in the stroma of rabbit cornea after histological study. In conclusion, the PCCS has extremely high biocompatibility and is a promising corneal scaffold for an artificial cornea. © 2013 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 102A: 1782–1787, 2014.