bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Enantioselective Formal Total Synthesis of Aplysin Utilizing a Palladium‐Catalyzed Addition of an Arylboronic Acid to an Allenic Alcohol—Eschenmoser/Claisen Rearrangement.
Authors: Yoshida Masahiro , Shoji Yasunobu , Shishido Kozo 
Published: October 2010

AbstractDihydrobenzofuran (VI), an intermediate for the synthesis of aplysin (VII), is prepared via the enantioselective construction of a quaternary carbon center in amide (V) utilizing the title reactions.
ChemInform Abstract: N‐Aryl‐O‐glycosyl Haloacetimidates as Glycosyl Donors.
Authors: Huchel Uschi , Tiwari Pallavi , Schmidt Richard R. 
Published: October 2010

AbstractThe glycosyl donor properties of haloacetimidates (I), (IV), (V), (VIII) and (IX) using glucopyranosides, e.g. (II) as acceptors are investigated.
ChemInform Abstract: Enantiospecific Formal Total Synthesis of (+)‐Fawcettimine.
Authors: Jung Michael E. , Chang Jonah J. 
Published: October 2010

AbstractThe key step on the route to (+)‐fawcettimine (III) is the catalytic generation of the hydroindanone (II) from the activated cyclopropyl ester (I) with complete stereocontrol.
ChemInform Abstract: Efficient Total Synthesis of Ammosamide B.
Authors: Reddy P. V. Narasimha , Banerjee Biplab , Cushman Mark 
Published: October 2010

AbstractThe key step is the effective condensation of 4,6‐diprotected tetraaminobenzene (II) with dimethyl ketoglutaconate (III) constructing the pyrrolidinone and quinoline rings in one step.
ChemInform Abstract: Copper‐Catalyzed Cross‐Coupling Reactions of Methyl 13‐Iodo‐O‐methylpodocarpate and Alcohols.
Authors: Yalavarty Manjeera , Paradise Courtney M. , Klein Travis A. L. , Miles D. Howard 
Published: October 2010

AbstractCuI is utilized as a relatively inexpensive catalyst for the synthesis of podocarpic acid ether derivatives (III) through one‐step cross‐coupling reaction of methyl 13‐iodo‐O‐methylpodocarpate (I) with alcohols.
ChemInform Abstract: Biological Activities of Pargamicin A, a Novel Cyclic Peptide Antibiotic from Amycolatopsis sp.
Authors: Hashizume Hideki , Adachi Hayamitsu , Igarashi Masayuki , Nishimura Yoshio , Akamatsu Yuzuru 
Published: October 2010

AbstractPargamicin A, a novel cyclic peptide antibiotic, which can be isolated from the soil actinomycete strain Amycolatopsis sp.
ChemInform Abstract: Caripyrin, a New Inhibitor of Infection‐Related Morphogenesis in the Rice Blast Fungus Magnaporthe oryzae.
Authors: Rieger Patrick H. , Liermann Johannes C. , Opatz Till , Anke Heidrun , Thines Eckhard 
Published: October 2010

AbstractThe new pyridyloxirane caripyrin (I) is isolated from submerged cultures of the basidiomycete Caripia montagnei.
ChemInform Abstract: Absolute Stereochemistry of Pentacecilides, New Inhibitors of Lipid Droplet Formation in Mouse Macrophages, Produced by Penicillium cecidicola FKI‐3765‐1.
Authors: Yamazaki Hiroyuki , Ugaki Narihiro , Matsuda Daisuke , Tomoda Hiroshi 
Published: October 2010

AbstractThe structure of the new pentacecilide D (Id), produced by Penicillium cecidicola FKI‐3765‐1 is determined.
ChemInform Abstract: NBRI16716A, a New Antitumor Compound Against Human Prostate Cancer Cells, Produced by Perisporiopsis melioloides Mer‐f16716.
Authors: Kawada Manabu , Someno Tetsuya , Inoue Hiroyuki , Ohba Shun‐ichi , Masuda Tohru , Kato Taira , Ikeda Daishiro 
Published: October 2010

AbstractThe 3 new compounds NBRI16716A, NBRI16716B, and NBRI16716C (Ia)—(Ic) are isolated from the fermentation broth of Perisporiopsis melioloides Mer‐f16716.
ChemInform Abstract: Organic Transistors Based on Octamethylenetetrathiafulvalenes.
Authors: Inoue Jun‐ichi , Kanno Masato , Ashizawa Minoru , Seo Chayeon , Tanioka Akihiko , Mori Takehiko 
Published: October 2010

AbstractThe tert.‐butyl substitution in title compound (Ib) realizes standing arrangement of the molecules and consequently good OFET (organic field‐effect transistor) performance.
ChemInform Abstract: Minisci Reaction: A Friedel—Crafts‐Type Process with Opposite Reactivity and Selectivity. Selective Homolytic Alkylation, Acylation, Carboxylation and Carbamoylation of Heterocyclic Aromatic Bases
Authors: Punta Carlo , Minisci Francesco 
Published: October 2010

AbstractReview: 210 refs.
ChemInform Abstract: Light and Color as Analytical Detection Tools: A Journey into the Periodic Table Using Polyamines to Bio‐inspired Systems as Chemosensors
Authors: Lodeiro Carlos , Capelo Jose Luis , Mejuto Juan Carlos , Oliveira Elisabete , Santos Hugo M. , Pedras Bruno , Nunez Cristina 
Published: October 2010

AbstractReview: 202 refs.
Anti‐inflammatory AreneChromium Complexes Acting as Specific Inhibitors of NOD2 Signalling
Authors: Bielig Harald , Velder Janna , Saiai Aroonchai , Menning Maureen , Meemboor Sonja , Kalka‐Moll Wiltrud , Krönke Martin , Schmalz Hans‐Günther , Kufer Thomas A. 
Published: October 2010

AbstractInflammation is a hallmark of microbial infection in mammals and is the result of a pathogen‐induced release of inflammatory effectors. In humans a variety of germ‐line encoded receptors, so‐called pattern‐recognition receptors, respond to conserved signatures on invading pathogens, which results in the transcriptional activation of pro‐inflammatory responses. Inflammation is often detrimental to the host and leads to tissue damage and/or systemic dysfunctions. Thus, specific inhibitors of these pathways are desirable for medical interventions. Herein we report on the synthesis and use of some chromium‐containing compounds (areneCr(CO)3 complexes) with a core structure related to anti‐inflammatory diterpenes produced by the sea whip Pseudopterogorgia elisabethae. By using cell‐based reporter assays we identified complexes with a potent inhibitory activity on tumour necrosis factor (TNF), Toll‐like receptor (TLR), and nucleotide binding domain, leucine‐rich repeat‐containing receptor (NLR) pathways. Moreover, we found one complex to be a specific inhibitor of inflammatory responses mediated by the NLR protein NOD2, a pivotal innate immune receptor involved in bacterial recognition. Synthesis and characterisation of a set of derivatives of this substance revealed structural requirements for NOD2 specificity. Taken together, our studies suggest this type of areneCr(CO)3 complex as a potential lead for the development of antiphlogistica and pharmacologically relevant NOD2 inhibitors.
Expanding colorectal cancer screening among minority women
Authors: Shike Moshe , Schattner Mark , Genao Alvaro , Grant Winsome , Burke Margaret , Zauber Ann , Russo Lianne , Cuyjet Valerie 
Published: October 2010

AbstractBACKGROUND:Colorectal cancer screening (CRCS) in the United States is inadequate in minority communities and particularly among those who lack insurance. Finding ways to increase screenings in these minorities presents a healthcare challenge. The authors sought to determine whether offering CRCS at the time of mammography is an effective way to increase CRCS among minority women.METHODS:This study was offered to women attending the Breast Examination Center of Harlem (BECH), a community outreach program of Memorial Sloan‐Kettering serving the primarily black and Hispanic Harlem Community. Screening was explained, medical fitness was determined, and colonoscopies were performed. Barriers to screening and ways to overcome them were ascertained. Participants had to be at least 50 years of age without a history of colorectal cancer or screening within the last 10 years.RESULTS:There were 2616 women eligible for CRCS, of these women 2005 (77%) refused to participate in the study, and 611 (23%) women were enrolled. There was a high interest in CRCS including among those who declined to participate in the study. The major barrier was lack of medical insurance, which was partially overcome by alternative funding. Of the 611 women enrolled, 337 (55%) went on to have screening colonoscopy. Forty‐nine (15%) women had adenomatous polyps.CONCLUSIONS:Offering CRCS to minority women at the time of mammography and without a physician's referral is an effective way to expand screening. Screening colonoscopy findings are similar to those in the general population. Alternatives to traditional medical insurance are needed for the uninsured. Cancer 2011. © 2010 American Cancer Society.
Oxidative Dehydrogenation of Propane over a VO2‐Exchanged MCM‐22 Zeolite: A DFT Study
Authors: Wannakao Sippakorn , Boekfa Bundet , Khongpracha Pipat , Probst Michael , Limtrakul Jumras 
Published: October 2010

AbstractThe adsorption and the mechanism of the oxidative dehydrogenation (ODH) of propane over VO2‐exchanged MCM‐22 are investigated by DFT calculations using the M06‐L functional, which takes into account dispersion contributions to the energy. The adsorption energies of propane are in good agreement with those from computationally much more demanding MP2 calculations and with experimental results. In contrast, B3LYP binding energies are too small. The reaction begins with the movement of a methylene hydrogen atom to the oxygen atom of the VO2 group, which leads to an isopropyl radical bound to a HOVO intermediate. This step is rate determining with the apparent activation energy of 30.9 kcal mol−1, a value within the range of experimental results for ODH over other silica supports. In the propene formation step, the hydroxyl group is the more reactive group requiring an apparent activation energy of 27.7 kcal mol−1 compared to that of the oxy group of 40.8 kcal mol−1. To take the effect of the extended framework into account, single‐point calculations on 120T structures at the same level of theory are performed. The apparent activation energy is reduced to 28.5 kcal mol−1 by a stabilizing effect caused by the framework. Reoxidation of the catalyst is found to be important for the product release at the end of the reaction.
Synthetic, Structural, Photophysical and Computational Studies on π‐Conjugated 1,3,2‐Benzodiazaboroles with Carbazole Building Blocks
Authors: Weber Lothar , Halama Johannes , Werner Vanessa , Hanke Kenny , Böhling Lena , Chrostowska Anna , Dargelos Alain , Maciejczyk Małgorzata , Raza Anna‐Lena , Stammler Hans‐Georg , Neumann Beate 
Published: October 2010

AbstractThe reaction of the N‐lithiated 3,6‐di‐tert‐butyl‐carbazole (2) with 2‐bromo‐1,3‐diethyl‐1,3,2‐benzodiazaborole (1a) and 2‐bromo‐1,3‐diphenyl‐1,3,2‐benzodiazaborole (1b) afforded the 2‐N‐carbazolyl‐functionalized benzodiazaboroles 3a and 3b as colourless solids in 77 and 73 % yield, respectively.Synthesis of 2[5′‐N‐carbazolyl‐2′‐thienyl]‐1,3‐diethyl‐1,3,2‐benzodiazaborole (5a) was effected by lithiation of N‐(2‐thienyl)carbazole (4) and subsequent reaction with equimolar amounts of 1a, and 5a was obtained in 68 % yield. Similarly,2[5′‐N‐carbazolyl‐2′‐thienyl]‐1,3‐diphenyl‐1,3,2‐benzodiazaborole (5b) was prepared from lithiated 4 and 1b in 62 % yield. Compounds 3a,b and 5a,b are characterized by elemental analyses, IR and NMR spectroscopy (1H, 11B, 13C) and mass spectrometry. The molecular structures of 3a and 5a were elucidated by X‐ray diffraction analysis. These borylated systems show intense blue luminescence. The spectroscopic results were reproduced by TD‐DFT calculations at the [B3LYP/6‐311G (d,p)] level of theory.
Electron spin resonance spectroscopy for evaluation of early oxidative events in semisolid palm oil
Authors: Raitio Riikka , Orlien Vibeke , Skibsted Leif H. 
Published: October 2010

AbstractElectron spin resonance (ESR) spectroscopy was applied to study early oxidative events in semisolid palm oil in bulk. Oil was stored at mildly accelerated conditions of 50°C for 7 days and the free radical formation was followed with the addition of spin trap N‐tert‐butyl‐α‐phenyl‐nitrone. Dissolution of the oil samples in isooctane prior to ESR measurements stabilized the ESR signal allowing the changes in relative free radical concentrations during oil storage to be monitored. Formation of lipid hydroperoxides as primary lipid oxidation products was found to correlate with the tendency for the formation of free radicals in the oil during the storage and accordingly, ESR spectroscopy may be used to detect the early events in lipid oxidation in palm oil. However, the interference of added rosemary extract (RE) in ESR analyses was seen as an increased ESR signal while the efficiency of RE as antioxidant in palm oil was confirmed by isothermal DSC.Practical applications: ESR spectroscopy may be used to evaluate early events of oxidation in semisolid oils such as palm fat, which is widely used in food industry.
What do we know about the molecular mechanism of 3‐MCPD ester formation?
Authors: Rahn Anja Katerina Karin , Yaylayan Varoujan Antranik 
Published: October 2010

AbstractThe 3‐monochloropropane‐1,2‐diol (3‐MCPD) esters belong to a group of well known process‐induced contaminants derived from mono‐ and di‐chlorinated glycerols. The 3‐MCPD was first identified in 1978 in acid‐hydrolysed vegetable proteins and its corresponding esters in 1980 and since their discovery almost 30 years later the exact mechanism of their formation is still unknown. The recent renewed interest in their formation mechanism can be attributed to the realization that the ester content in real food systems often exceeds that of free 3‐MCPD content by many orders of magnitude. Presently, there are four proposed mechanisms all involving SN2 nucleophilic attack by chloride ions but differing from each other based on either the nature of the substrate or the leaving group. Two of the proposed mechanisms involve direct nucleophilic attack by the chloride ion at the glycerol carbon atoms carrying either an ester group or a protonated hydroxyl group. The other two pathways propose the formation of reactive intermediates such as acyloxonium ion or an epoxide ring in the form of glycidol prior to the nucleophilic attack by chloride ions.
Novel Approach to Chlorins and Bacteriochlorins: [8π+2π] Cycloaddition of Diazafulvenium Methides with Porphyrins
Authors: Pereira Nelson A. M. , Serra Arménio C. , Pinho e Melo Teresa M. V. D. 
Published: October 2010

AbstractNew and unprecedented [8π+2π] cycloaddition of diazafulvenium methides with porphyrins and chlorins is reported. The synthetic methodology allowed the access to a new type of 4,5,6,7‐tetrahydropyrazolo[1,5‐a]pyridine‐fused chlorins and bacteriorins in a selective fashion.
Identification of methanogenic pathways in anaerobic digesters using stable carbon isotopes
Authors: Laukenmann Stephan , Polag Daniela , Heuwinkel Hauke , Greule Markus , Gronauer Andreas , Lelieveld Jos , Keppler Frank 
Published: October 2010

AbstractIn a series of anaerobic batch experiments, the stable carbon isotopes, δ13CCH?4? and δ13CCO?2?, were measured in biogas produced from various sources (maize, cellulose, inoculum) to identify the degradation kinetics and specific methanogenic pathways. Isotopic analysis was performed using a new absorption laser spectrometer in addition to conventional MS. A comparison of the isotopic evolution shows large isotope dynamics for maize and cellulose, indicating a temporal change in degradation pathways and/or a change in the relative contribution from different carbon fractions within the substrate. Further batch experiments with isotopically labelled acetate (either 13CH3CO2Na or CHCO2Na) were carried out to study the degradation of acetate in inoculum systematically. The results suggest that the acetate is completely oxidized into CO2 which in turn is partly reduced to CH4. Furthermore, the distinct isotopic signature CH4 and CO2 (for acetate‐methyl labelling as well as for acetate‐carboxy labelling) indicate that only a minor part of the produced methane derives from acetate. A substantial fraction of methane may have been produced at an earlier stage of the reaction chain or by other potential methane precursors such as formate or methanol.
Bayesian variable selection for survival regression in genetics
Authors: Tachmazidou Ioanna , Johnson Michael R. , De Iorio Maria 
Published: October 2010

AbstractVariable selection in regression with very big numbers of variables is challenging both in terms of model specification and computation. We focus on genetic studies in the field of survival, and we present a Bayesian‐inspired penalized maximum likelihood approach appropriate for high‐dimensional problems. In particular, we employ a simple, efficient algorithm that seeks maximum a posteriori (MAP) estimates of regression coefficients. The latter are assigned a Laplace prior with a sharp mode at zero, and non‐zero posterior mode estimates correspond to significant single nucleotide polymorphisms (SNPs). Using the Laplace prior reflects a prior belief that only a small proportion of the SNPs significantly influence the response. The method is fast and can handle datasets arising from imputation or resequencing. We demonstrate the localization performance, power and false‐positive rates of our method in large simulation studies of dense‐SNP datasets and sequence data, and we compare the performance of our method to the univariate Cox regression and to a recently proposed stochastic search approach. In general, we find that our approach improves localization and power slightly, while the biggest advantage is in false‐positive counts and computing times. We also apply our method to a real prospective study, and we observe potential association between candidate ABC transporter genes and epilepsy treatment outcomes.Genet. Epidemiol. 34:689–701, 2010. © 2010 Wiley‐Liss, Inc.
P‐value based analysis for shared controls design in genome‐wide association studies
Authors: Zaykin Dmitri V. , Kozbur Damian O. 
Published: October 2010

AbstractAn appealing genome‐wide association study design compares one large control group against several disease samples. A pioneering study by the Wellcome Trust Case Control Consortium that employed such a design has identified multiple susceptibility regions, many of which have been independently replicated. While reusing a control sample provides effective utilization of data, it also creates correlation between association statistics across diseases. An observation of a large association statistic for one of the diseases may greatly increase chances of observing a spuriously large association for a different disease. Accounting for the correlation is also particularly important when screening for SNPs that might be involved in a set of diseases with overlapping etiology. We describe methods that correct association statistics for dependency due to shared controls, and we describe ways to obtain a measure of overall evidence and to combine association signals across multiple diseases. The methods we describe require no access to individual subject data, instead, they efficiently utilize information contained in P‐values for association reported for individual diseases. P‐value based combined tests for association are flexible and essentially as powerful as the approach based on aggregating the individual subject data. Genet. Epidemiol. 34:725–738, 2010.© 2010 Wiley‐Liss, Inc.
The role of changes in activity as a function of perceived available and expended energy in nonpharmacological treatment outcomes for ME/CFS
Authors: Brown Molly , Khorana Neha , Jason Leonard A. 
Published: October 2010

AbstractNonpharmacological interventions for myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) often emphasize gradual increases in activity to promote improvement in physical functioning and fatigue. The energy envelope theory may provide a framework for understanding the relationship between changes in activity level and outcomes for patients with ME/CFS. This study examined the relationship between energy envelope and changes in activity after nonpharmacological interventions in a sample of 44 adults with ME/CFS. Results showed that those who were within their energy envelope before treatment showed more improvement in physical functioning and fatigue compared with those outside of their energy envelope. These findings suggest that an assessment of perceived available and expended energy could help guide the development of individualized nonpharmacological interventions for people with ME/CFS. © 2010 Wiley Periodicals, Inc. J Clin Psychol 00:1–8, 2010.
Influence of the angle of irradiation of the Er,Cr:YSGG laser on the morphology, attachment of blood components, roughness, and root wear: In vitro study
Authors: de Oliveira Guilherme José Pimentel Lopes , Pavone Chaine , Sampaio José Eduardo Cézar , Marcantonio Rosemary Adriana Chiérici 
Published: October 2010

AbstractBackground and ObjectivesTo evaluate the influence of the working tip angulation of the Er,Cr:YSGG laser on the morphology, attachment of blood components, roughness, and wear on irradiated root surfaces compared to scaling and root planing (SRP).Study Design/Materials and MethodsThe present study used 45 teeth, of which 25 were used for the analysis of the morphology and the attachment of blood components and 20 were used for the analysis of the roughness and of the root wear. The teeth were randomly divided into five groups according to the treatment applied: (G1) Laser Er,Cr:YSGG‐30°; (G2) Laser Er,Cr:YSGG‐45°; (G3) Laser Er,Cr:YSGG‐60°; (G4) Laser Er,Cr:YSGG‐90°; and (G5) SRP.ResultsThe root surfaces irradiated with the Er,Cr:YSGG laser working angulation tip of 45° and 60°, and the samples scaled with manual instruments presented greater attachment of blood components than the group where the Er,Cr:YSGG laser irradiated at working tip angulation of 30° and 90° (P<0.05). The samples irradiated with the Er,Cr:YSGG laser were rougher than the samples scaled with manual instruments (P<0.05). The group that was irradiated with the Er,Cr:YSGG laser at an angle of 30° presented the least wear in comparison to all the other treatments (P<0.01).ConclusionsThe irradiated root surfaces proved to be rougher than those scaled with manual instruments; however, irradiation at working tip angulations of 45° and 60° produced results of attachment of blood components and root wear comparable with those obtained with manual instrumentation. Lasers Surg. Med. 42:843–851, 2010 © 2010 Wiley‐Liss, Inc.
Investigating the effects of dimethylsulfoxide on hemodynamics during cortical spreading depression by combining laser speckle imaging with optical intrinsic signal imaging
Authors: Sun Xiaoli , Li Pengcheng , Luo Weihua , Chen Shangbing , Feng Nengyun , Wang Jia , Luo Qingming 
Published: October 2010

AbstractBackground and ObjectivesCortical spreading depression (CSD) is an important pathological model to study cerebral ischemia and migraine. In pharmacological studies of CSD, dimethylsulfoxide (DMSO) is an efficient solvent for water‐insoluble drugs. Previous studies indicated that DMSO could prevent pial arteriolar dilation induced by oxidants. Therefore, it was very important to study the effect of DMSO on hemodynamics during CSD so that optimization of dose of DMSO as solvent can be made.Study Design/Materials and MethodsDMSO was topically applied on the exposed rat cortex. Single CSD was elicited by controlled injection of KCl. Pial arteriolar diameter, cerebral blood flow, and direct current potential during CSD were monitored by optical intrinsic signal imaging, laser speckle imaging, and electrophysiology method, respectively.ResultsTopical application of DMSO (0.1%, 0.4%, 2%, and 4%, v/v) increased arteriolar resting diameter and resting blood velocity at all vascular compartments. In addition, both vasodilation and hyperemic response to CSD were attenuated by DMSO in a dose‐dependent manner at doses from 0.1% to 4%. In contrast, the maximum value of blood velocity during CSD was not significantly affected by DMSO.ConclusionThe attenuation in hemodynamic response during CSD could possibly be caused by increased baseline value of vessel tone and blood velocity. Our findings suggest that when investigators use DMSO to dissolve water‐insoluble, topically applied drugs in the hemodynamic study of CSD, dose of DMSO should be kept below 0.1% in order to avoid false results. Lasers Surg. Med. 42:809–815, 2010 © 2010 Wiley‐Liss, Inc.