bluuebunny/crossref_metadata_2025_split huggingface dataset:
Relative ortho‐directing power of fluorine, chlorine and methoxy group for the metalation reaction in the diazine series. Diazines XXXV
Authors: Toudic Frédéric , Turck Alain , Plé Nelly , Quéguiner Guy , Darabantu Mircea , Lequeux Thierry , Pommelet Jean Claude 
Published: April 2009

AbstractThe regioselectivity of the metalation of 2‐chloro‐6‐methoxypyrazine, 2‐fluoro‐6‐methoxypyrazine and 3‐fluoro‐6‐chloropyridazine was studied; the relative ortho‐directing power was F > OMe > Cl.
Design and synthesis of novel rofecoxib analogs as potential cyclooxygenase (COX‐2) inhibitors: Replacement of the methylsulfonyl pharmacophore by a sulfonylazide bioisostere
Authors: Uddin Md. Jashim , Rao P. N. Praveen , Knaus Edward E. 
Published: April 2009

AbstractA group of rofecoxib analogs, having a sulfonylazide (SO2N3) substituent in place of the methanesulfonyl (SO2CH3) pharmacophore at the meta‐position viz 3‐(4‐methyl, 4‐methoxy, or 4‐ethoxyphenyl)‐4‐(3‐sulfonylazidophenyl)‐2(5H)furanone (7a‐c) and para‐position viz 3‐phenyl‐4‐(4‐sulfonylazidophenyl)‐2(5H)furanone (7d), 3‐(4‐fluoro, or 4‐chlorophenyl)‐4‐(4‐sulfonylazidophenyl)‐2(5H)furanone (7e‐f) of the C–4 phenyl ring, and 4‐(1‐oxido‐4‐pyridyl)‐3‐phenyl‐2(5H)furanone (12) were designed and synthesized for evaluation as selective cyclooxygenase‐2 (COX‐2) inhibitors. In vitro COX‐1/COX‐2 enzyme inhibition studies showed that 3‐phenyl‐4‐(4‐sulfonylazidophenyl)‐2(5H)furanone (7d) inhibited COX‐1 selectively (COX‐1 IC50 = 0.6659 μM; COX‐2 IC50 > 100 μM) and 3‐(4‐fluorophenyl)‐4‐(4‐sulfonylazidophenyl)‐2(5H)furanone (7e) inhibited both enzymes (COX‐1 IC50 = 0.8494 μM; COX‐2 IC50 = 1.7661 μM). A molecular modeling study was performed where 3‐(4‐fluorophenyl)‐4‐(4‐sulfonylazidophenyl)‐2(5H)furanone (7e) was docked in the active site of murine COX‐2 isozyme, which showed that the sulfonylazido group inserts deep into the 2°‐pocket of COX‐2 where it undergoes both H‐bonding (Gln192, Phe518) and weak electrostatic (Arg513) interactions.
Synthesis of potential selective cox‐2 enzyme inhibitors derived from ethyl ester of 2‐isothiocyanato‐5‐phenyl‐3‐thiophenecarboxylic acid
Authors: Santagati Andrea , Marrazzo Agostino , Granata Giuseppe 
Published: April 2009

AbstractDerivatives containing the thieno[2,3‐d]pyrimidin‐4‐one system, potential selective COX‐2 inhibitors, were prepared starting from ethyl ester of 2‐isothiocyanato‐5‐phenyl‐3‐thiophenecarboxylic acid (2); their structural elucidation is also reported.
Synthesis of novel 3,4‐dihydropyrimidinones on water soluble solid support catalyzed by indium triflate
Authors: Shanmugam P. , Annie G. , Perumal P. T. 
Published: April 2009

AbstractSyntheses of several new 3,4‐dihydropyrimidinones (DHPMs) on sodium sulfate solid support have been reported. The microwave enhanced rapid synthesis of the title compounds yielded a good percentage of the DHPMs. The catalytic activity of indium triflate enables to prepare a wide range of DHPMs. Syntheses of 2‐hydroxyphenyl, 2‐hydroxy‐4‐methoxyphenyl pendant groups on DHPMs scaffold are advantages of the present method, which are rather prone towards cyclization and the presence of free hydroxyl groups on the phenyl ring is confirmed via D2O exchange study. The mechanism of the reaction is expected to proceed via absorption of substrates on the solid support followed by promotion of the reaction by In(OTf)3 coupled with microwave irradiation.
Tetrahydrofuranylmethylamines: An efficient and simple one‐step synthesis and biological activities
Authors: Limbeck Marcus , Gündisch Daniela 
Published: April 2009

AbstractVarious tetrahydrofuran‐2‐ylmethylamines have been prepared in good yields by an efficient one‐step synthesis utilizing the reaction of tetrahydrofurfurylchloride with different secondary cyclic amines without any catalyst. The compounds were tested for their in vitro affinity for the (α4)2(β2)3 and α7* nicotinic acetylcholine receptor (nAChR) subtypes. Pyrrolidine, piperidine and azepane containing analogs (1a, 1b, 1c) showed Ki values in the lower micromolar range for these neuronal nAChR subtypes in rat brain.
Synthesis of 1‐nonanoyl/octadecanoyl‐4‐substituted thiosemicarbazides and substituted 1,2,4‐trizoles as biological active compounds
Authors: Colanceska‐Ragenovic Katica , Dimova Vesna , Kakurinov Vlado , Gabor Dora Molnar 
Published: April 2009

Abstract4‐Alkyl/aryl‐5‐nonanoyl/octadecanoyl‐2,4‐dihydro‐3H‐1,2,4‐triazoline‐3‐thiones were synthesized as potential antimicrobial agents. The course of synthesis included the reaction of nonanoyl/octadecanoyl hydrazines with selected alkyl/aryl isothiocyanates. The prepared thiosemicarbazides gave by cyclization the required 1,2,4‐triazoles. A number of synthesized compounds were subjected to in vitro testing against two gram‐positive, two gram‐negative bacteria and two fungi.
Hypervalent iodine in synthesis 93. A facile synthesis of 2‐substituted imidazo[1,2‐a]pyrimidines by cyclocondensation of alkynyl(phenyl)iodonium salts and 2‐aminopyrimidine
Authors: Liu Zhi , Chen Zhen‐Chu , Zheng Qin‐Guo 
Published: April 2009

AbstractSimple stirring of a mixture of the alkynyl(phenyl)iodonium salts 1 with 2‐aminopyrimidine 2 in chloroform under reflux for two hours in the presence of K2CO3 gave, after workup, the 2‐substituted imidazo[1,2‐α]pyrimidines 3 in moderate to good yields. A possible mechanism for the formation of 3 involves the intramolecular cyclization of the intermediate alkylidenecarbene 6.
Synthesis of water‐soluble near‐infrared cyanine dyes functionalized with [(succinimido)oxy]carbonyl group
Authors: Strekowski Lucjan , Mason Christian J. , Lee Hyeran , Gupta Rajni , Sowell John , Patonay Gabor 
Published: April 2009

AbstractTwo hetamethine cyanine dyes suitable for labeling of biomolecules at a primary amino group with a near‐infrared chromophore/fluorophore (λmax/(λem = 800/830 nm and 837/864 nm) have been synthesized from readily available starting materials. Despite the high molecular complexity of intermediate and final products, all these compounds have been obtained in an analytically pure form by using crystallization only.
Versatile 2‐aminothiazoles, building blocks for highly functionalised heterocycles
Authors: Kaupp Gerd , Amer Fathy A. , Metwally Mohamed Abbas , Abdel‐Latif Ehab 
Published: April 2009

AbstractThe reactions of quantitatively available 4‐phenyl‐ and 4‐(4‐antipyrinyl)‐2‐aminothiazole [“4‐antipyrinyl‐” is used as a short‐term for “4‐(1,5‐dimethyl‐3‐oxo‐2‐phenyl‐2,3‐dihydro‐1‐H‐pyrazol‐4yl)‐”] with chloroacetyl chloride, acetic anhydride, ethyl cyanoacetate and carbon disulphide are reported. The products are transformed further by Knoevenagel condensations and coupling reactions with aromatic diazonium salts. The latter occur both at the thiazole ring and at the active methylene sites. The tautomerism of these products is studied on the basis of density functional theory calculations at the B3LYP/6‐31G* level.
Studies on pyrrolidones. An improved synthesis of N‐arylmethyl pyroglutamic acids
Authors: Bourry Anne , Akué‐Gédu Rufine , Rigo Benoit , Hénichart Jean‐Pierre , Sanz Gérard , Couturier Daniel 
Published: April 2009

AbstractLow solubility of the aromatic aldehyde in a water/ethanol medium can prevent the sodium borohydride reductive alkylation of the sodium salt of glutamic acid. In that case, the reductive alkylation can be realized in methanol by using a triethylammonium salt. The uses of 2 molar equivalent of triethylammonium salt of glutamic acid for one molar equivalent of aldehyde strongly raise the yields. Cyclization of the N‐substituted glutamic acids obtained gives then N‐arylmethyl pyroglutamic acids in good yields.
Synthesis and biological activity evaluation of differently substituted 1,4‐dioxo‐3,4‐dihydrophthalazine‐2(1H)‐carboxamides and ‐carbothioamides
Authors: Cardia M. C. , Distinto S. , Maccioni E. , Bonsignore L. , Delogu A. 
Published: April 2009

AbstractDifferently substituted phthalic anhydrides can react either with semicarbazide or thiosemicarbazide to give respectively 1,4‐dioxo‐3,4‐dihydrophthalazine‐2(1H)‐carboxamides or 1,4‐dioxo‐3,4‐dihydrophthal‐azine‐2(1H)‐carbothioamides under mild conditions and generally with good yields. These compounds have been tested in order to evaluate their anti‐microbial activity. Furthermore a new synthetic pathway to phtha‐lazino[2,3‐b]phthalazine‐5,7,12,14‐tetraone has been devised.
Automated structure elucidation — the benefits of a symbiotic relationship between the spectroscopist and the expert system
Authors: Elyashberg Mikhail E. , Blinov Kirill A. , Martirosian Eduard R. , Molodtsov Sergey G. , Williams Antony J. , Martin Gary E. 
Published: April 2009

AbstractCharacteristic features of a new expert system StrucEluc are described. The system is intended for the structure elucidation of complex organic molecules using a variety of spectroscopic data including 2D NMR. We review here the results of challenging this system with over 100 structure elucidation problems where the 2D NMR peak tables presented in original journal publications provided the input data. This contribution is focused on methods to overcome difficult situations that can arise when contradictions are present in the input data and/or when the structure is underdetermined as a result of insufficient 2D NMR correlations. Methods by which to address these situations are examined. It has been shown that synergy between the spectroscopist and the expert system allows the solution of problems that seemed to be hopeless at the outset of the structure elucidation process.
Reactions of nitroarenes with secondary and tertiary carbanions bearing both a leaving group and electron‐withdrawing group: An approach to dihydronaphth[2,1‐c]isoxazole N‐oxides and dihydroisoxazolo[4,3‐f]quinoline N‐oxides
Authors: Maruoka Hiroshi , Tomioka Yukihiko 
Published: April 2009

Abstract2‐Nitronaphthalene (1) and 6‐nitroquinoline (2) underwent direct cyclocondensation with secondary and tertiary carbanions derived from a methylene and methine group bearing both a leaving group and electron‐withdrawing group (e.g., methyl chloroacetate, ethyl chloroacetate, chloroacetonitrile, methyl 2‐chloropropionate, ethyl 2‐chloropropionate and 2‐chloropropionitrile) in the sodium hydride/N,N‐dimethylformamide system at low temperature, giving the corresponding dihydronaphth[2,1‐c]isoxazole N‐oxides 3 and dihy‐droisoxazolo[4,3‐f]quinoline N‐oxides 4. On the other hand, nitroarenes 1 and 2 reacted with secondary carbanions in the sodium hydride/tetrahydrofuran system to yield the corresponding conventional vicarious nucleophilic substitution (VNS) products 5 and 6.
Reactions of 4,7‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidines with α,β‐unsaturated carbonyl compounds
Authors: Lipson Victoria V. , Ignatenko Irina V. , Desenko Sergey M. , Shishkina Svetlana V. , Shishkin Oleg V. , Komykhov Sergey A. , Logvinenko Natalya V. , Orlov Valery D. , Meier Herbert 
Published: April 2009

AbstractThe reaction of 5,7‐diphenyl‐4,7‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidine (1) with α,β‐unsaturated carbonyl compounds 2a‐f led to the formation of the alkylated heterocycles 3a‐f (Figure 1). However, the reaction of 5‐methyl‐7‐phenyl‐4,7‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidine (5) with 2a‐c yielded under the same conditions the triazolo[5,1‐b]quinazolines 6a‐c (Figure 3). In this case, the alkylation is followed by a cyclocondensation. The structure elucidation of the products is based on ir, ms, 1H and 13C nmr measurements and on an X‐ray diffraction study.
Synthesis of pyrimido[1,2‐a]benzimidazol‐4(10H)‐one derivatives and evaluation of their interactions with DNA
Authors: Da Settimo A. , Primofiore G. , Da Settimo F. , Marini A. M. , Taliani S. , Salerno S. , Dalla Via L. 
Published: April 2009

AbstractThe synthesis of new derivatives of the planar tricyclic pyrimido[1,2‐a]benzimidazole system featuring protonable side chains in the 3 and/or 10 positions is described. The reported literature procedures for the preparation of the intermediate 3‐ethoxycarbonylpyrimido[1,2‐a]benzimidazol‐4(10H)‐one 15, starting from 2‐aminobenzimidazole 18 and diethyl ethoxymethylenemalonate, were revised. The interaction with DNA, the intrinsic binding constants, and the antiproliferative activity of a number of compounds (1–8, 10, 11) were preliminarly investigated.
Structural investigation of 3,5‐disubstituted isoxazoles by 1H‐nuclear magnetic resonance
Authors: Sechi Mario , Sannia Luciano , Orecchioni Maria , Carta Fabrizio , Paglietti Giuseppe , Neamati Nouri 
Published: April 2009

AbstractHIV‐1 integrase (IN) is a very promising and validated target for the development of therapeutic agents against AIDS. In an effort to design and synthesize biological isosteric analogs of β‐diketoacid‐containing inhibitors of IN, we prepared a series of substituted isoxazole carboxylic acids. Several of these compounds inhibited catalytic activities of purified IN at micromolar concentration range. With an aim to prepare a large number of analogues based on the isoxazole pharmacophore we focused our study on a series of 3,5‐disubstituted isoxazole isomers. For a rapid structural analysis we discovered a convenient 1H‐nmr method for distinguishing between isomeric structures based on their H‐4 assignments. This “finger print” approach to isomer identification will be useful in combinatorial chemistry settings where a mixture can be further derivatized.
Facile synthesis of novel nonpeptide angiotensin II receptor antagonists
Authors: Yang Ling‐Chun , Zhang Guan‐Xin , Zou Nan‐Zhi , Qi Chuan‐Min 
Published: April 2009

AbstractA series of Losartan analogues 1‐12 with different functional groups were synthesized and characterized. In comparison with the previous reports, the synthetic procedures described in this paper have been optimized as follows below: 1) preparation of aromatic amine 15 and 18 through hydrogenation by employing Raney Ni and hydrazine as catalysts in place of palladium; 2) preparation of nitro‐compound 17 by using pure fuming nitric acid at ‐20 ‐ ‐15 °C; 3) alkylation of 21 with 22 or 23 in the presence of sodium hydride in place of potassium tert‐butylate; 4) preparation of carboxylic acid 4 by ester cleavage rather than hydrolysis of cyano group.
A TDMA MAC protocol for multiservice wirelessad hocnetworks
Authors: Gállego José Ramón , Canales María , Hernández‐Solana Ángela , Valdovinos Antonio 
Published: April 2009

AbstractQuality of Service (QoS) provision in wirelessad hocnetworks requires the support of efficient MAC protocols and Radio Resource Management strategies to efficiently handle the access process and to achieve a high resource reuse. In this context, we present in this paper a MAC proposal capable of providing resource reservation and service differentiation in the medium access level as a basis for guaranteeing end‐to‐end QoS support in higher levels. We propose a TDMA MAC structure based on a frame subdivision consisting of a broadcast control phase and a data phase. We have designed an adaptive strategy to share the resources between both control and data services and a resource reservation strategy for data services that solves the problems stemmed from the contention for the medium, also adding a service differentiation mechanism based on priorities. In addition, we evaluate the impact of a realistic propagation channel considering multipath fading and users interference on the performance of this scheme. In this scenario, we propose modifications to guarantee the reliability and efficiency of both broadcast control and data services, including power control techniques. Copyright © 2009 John Wiley & Sons, Ltd.
Swarm intelligence‐based anycast routing protocol in ubiquitous networks
Authors: Hwang Ren‐Hung , Hoh Cheng‐Chang , Wang Chiung‐Ying 
Published: April 2009

AbstractAs digital devices with communication capability become more pervasive, we are entering the era of ubiquitous computing, as predicted by Mark Weiser. In ubiquitous environments, distributed context management servers are deployed everywhere to provide information and computing resources for users anytime and anywhere. Smart handheld computing devices with context‐aware applications may retrieve context information from the nearest server. This study investigates the problem of routing packets to the nearest server in a ubiquitous environment. An anycast routing protocol based on swarm intelligence, referred to as ARPSI, is proposed to route packets dynamically to a nearby server in a mobile,ad hoc, wireless network. Based on swarm intelligence, ARPSI is able to find a short path to a neighboring server efficiently and quickly. Simulations are conducted to evaluate the performance of ARPSI and our simulation results show that ARPSI achieves a higher packet delivery ratio, shorter routing path to anycast servers, and lower control packet overhead than the AODV‐based anycast protocol (A‐AODV) protocol. Copyright © 2009 John Wiley & Sons, Ltd.
Theorising Interventions as Events in Systems
Authors: Hawe Penelope , Shiell Alan , Riley Therese 
Published: April 2009

AbstractConventional thinking about preventive interventions focuses over simplistically on the “package” of activities and/or their educational messages. An alternative is to focus on the dynamic properties of the context into which the intervention is introduced. Schools, communities and worksites can be thought of as complex ecological systems. They can be theorised on three dimensions: (1) their constituent activity settings (e.g., clubs, festivals, assemblies, classrooms); (2) the social networks that connect the people and the settings; and (3) time. An intervention may then be seen as a critical event in the history of a system, leading to the evolution of new structures of interaction and new shared meanings. Interventions impact on evolving networks of person‐time‐place interaction, changing relationships, displacing existing activities and redistributing and transforming resources. This alternative view has significant implications for how interventions should be evaluated and how they could be made more effective. We explore this idea, drawing on social network analysis and complex systems theory.
Lipid Components of North American Wild Rice (Zizania palustris)
Authors: Przybylski R. , Klensporf‐Pawlik D. , Anwar F. , Rudzinska M. 
Published: April 2009

AbstractThe content and composition of fatty acids, sterols, tocopherols, and γ‐oryzanol in wild rice (Zizania palustris) grown in North America were compared with those in regular brown rice (Oryza sativa L.). The lipid content of wild rice ranged from 0.7 to 1.1%, compared with 2.7% in regular brown rice. The lipids of wild rice comprised mainly linoleic (35–37%) and linolenic (20–31%) acids. Other fatty acids included palmitic (14.1–18.4%), stearic (1.1–1.3%), and oleic (12.8–16.2%). Wild rice lipids contained very large amounts of sterols, ranging from 70 g/kg for a Saskatchewan sample to 145 g/kg for Minnesota Naturally Grown Lake and River Rice. The main sterols found in an unsaponified fraction were: campesterol (14–52%), β‐sitosterol (19–33%), Δ5‐avenasterol (5–12%), and cycloartenol (5–12%). Some of sterols, γ‐oryzanols, were present as the phenolic acid esters; the amount ranged from 459 to 730 mg/kg in wild rice lipids. The largest amounts of tocopherols and tocotrienols, 3682 and 9378 mg/kg, were observed in North Western Ontario wild rice samples, whereas the lowest were 251 mg/kg in an Athabasca Alberta sample and 224 mg/kg in regular long‐grain brown rice. The α isomer was the most abundant among tocopherols and tocotrienols. The results of this study showed that wild rice lipids contain large amounts of nutraceuticals with proven positive health effects.
Article Commentary: Penalties for health care fraud and abuse: January 2007‐March 2008
Authors: Shah Udayan K. , Johnston Douglas R. , Smith Gina Maisto , Ziv Barbara E. , Reilly James S. 
Published: April 2009

This commentary details the providers, penalties, and affected regions resulting from US health care fraud and abuse prosecutions from January 2007 to March 2008. Database review found that over $3 billion in fines as well as incarceration in some cases were ordered for 21 convicted providers, 68 percent of whom were physicians, and to 41 nonproviders, most of whom were vendors of durable medical goods (36%), individual citizens (18%) and health care corporations (17%). Fewer claims were found against pharmaceutical firms (7%) and medical equipment manufacturers (4%). Most verdicts were in the state of Florida. False claims accounted for most of the violations for both providers and nonproviders. These severe repercussions of malfeasance should promote careful consideration and construction of the terms of engagement between health care providers, corporations, and payers.
Reduction in surgical innovation, 1988 to 2006
Authors: Rosow David E. , Likhterov Ilya , Stewart Michael G. , April Max M. 
Published: April 2009

ObjectiveWe hypothesize that increasing regulation of human subject research has reduced the number of published reports of surgical innovation in otolaryngology.Study DesignA systematic review of a predetermined subset of otolaryngology literature.MethodsWe randomly selected half of the articles published in 1988 and 2006 in three prominent journals. After identifying information was concealed, abstracts were classified independently by two authors into three groups: innovation, modification, or neither. Disagreements were resolved by a third author who read the entire article. Proportions were compared with χ2 analysis.ResultsThe proportion of articles classified as innovation or modification decreased significantly from 67 of 367 (18.3%) in 1988 to 59 of 548 (10.8%) in 2006 (P = 0.001). The elimination of radiology and pathology quiz cases yielded similar results: 11.1 percent vs 18.9 percent, P = 0.001. Innovation or modification in animal model research also decreased (0.9% vs 3.8%, P = 0.003). Overall, only 4 articles were actually classified as true innovation.ConclusionsThe frequency of true innovation was low in both years, but articles that described surgical modifications decreased significantly over this 18‐year period. One reason may be increased administrative barriers for clinical research approval. Although our analysis cannot determine cause and effect, it is an important finding that deserves further study.
Randomized trial of tissue adhesive vs staples in thyroidectomy integrating patient satisfaction and Manchester score
Authors: Amin Mohamed , Glynn Fergal , Timon Conrad 
Published: April 2009

ObjectiveClosure of skin incision of minimally invasive thyroidectomy with tissue adhesive is compared with surgical staples for 1) cosmetic appearance, 2) patient pain score, and 3) patient satisfaction score.Study DesignProspective single‐blinded randomized study.Subjects and MethodsSeventy‐two patients undergoing minimally invasive thyroid surgery using video‐assisted thyroidectomy (VAT) and minimal incision thyroidectomy (MIT) techniques were randomized for skin closure into two groups, one using staples and the other using tissue adhesive. Patients evaluated their pain on the first and tenth postoperative days. Scars were assessed using the Manchester scar assessment tool, and patients completed a satisfaction assessment form.ResultsSixty out of the 72 patients were followed up for three months postoperatively. Assessment of wound cosmesis revealed no statistical difference; however, there was a statistical difference in ability to shower and overall satisfaction in the tissue adhesive group (P = 0.017).ConclusionTissue adhesive is an excellent alternative for skin incision closure, having the added advantage of ability to shower on the same day, avoidance of the anxiety associated with staple removal, and no General Practitioner (GP) visit required for wound care. The use of tissue adhesive achieves higher patient satisfaction levels and enhances the perception of minimally invasive thyroid surgery (MITS) techniques among patients and surgeons alike.