bluuebunny/crossref_metadata_2025_split huggingface dataset:
Three New Eudesmanolactones (=Eudesmanolides) from Camchaya loloana
Authors: Li Chang‐Song , Yu Hong‐Wei , Chen Xiao‐Zhen , Wu Xiao‐Qing , Li Guo‐You , Zhang Guo‐Lin 
Published: January 2011

AbstractThree new eudesmanolactones (=eudesmanolides), loloanolide A (1), loloanolide B (2), and 1‐O‐acetylloloanolide B (3), together with five known compounds, were isolated from the CHCl3 extract of the aerial parts of Camchaya loloana. Their structures were elucidated on the basis of spectroscopic analysis. This type of eudesmanolactones bearing a 2‐(hydroxymethyl)acryloyloxy group at C(8) was discovered for the first time. Compounds 1–3 exhibited cytotoxicity against the HepG2 cell line, with GI50 values of 22.9, 18.1, and 12.8 nmol/ml, respectively.
A Facile Synthesis of Bridged Polycyclic Naphthooxazocine Skeletons: Eight‐Membered‐Ring Constructions via Tandem Dinucleophilic Addition of Naphthalenols to Quinolinium Salts
Authors: Matloubi Moghaddam Firouz , Taheri Salman , Mirjafary Zohreh , Saeidian Hamdollah , Kiamehr Mostafa , Tafazzoli Mohsen 
Published: January 2011

AbstractThe efficient synthesis of bridged polycyclic naphthooxazocines 3 via addition of naphthalenols 1 as a bis‐nucleophile to N‐alkylquinolinium salts 2 is described (Scheme 1 and Table 2). This new approach provides a powerful entry into polycyclic structures containing bicyclic N,O‐acetals related to bioactive compounds.
Triterpenoids from the Flowers of Salvia miltiorrhiza
Authors: Liu Pu , Hu Pan , Deng Rui‐Xue , Li Ru , Yang Li , Yin Wei‐Ping 
Published: January 2011

AbstractA phytochemical investigation of the flowers of Salvia miltiorrhiza Bunge led to the isolation of two new oleanane‐ and ursane‐type triterpenoids, (3α)‐olean‐12‐ene‐3,23‐diol (1) and (3α)‐urs‐12‐ene‐3,23‐diol (2), as well as of four known triterpenoids. Their structures were elucidated on the basis of spectroscopic evidence, including 1D‐ and 2D‐NMR, HR‐MS, and the X‐ray analysis, and by comparison with literature data.
Synthesis of 1,4‐Diazabutadienes (=N,N′‐Ethane‐1,2‐diylidenebis[amines]) by Grinding
Authors: He Jingyu , Xin Hongxing , Yan Hong , Song Xiuqing , Zhong Rugang 
Published: January 2011

AbstractA simple and convenient method for the synthesis of 1,4‐diazabutadienes (=N,N′‐ethane‐1,2‐diylidenebis[amines]) by grinding glyoxal (=ethanedial) or an α‐diketone and anilines (=benzenamines) in the presence of TsOH in a mortar with a pestle is described. By this way, 1,4‐diazabutadienes were obtained in good to excellent yields.
One‐Pot Syntheses of 2‐(2‐Sulfanyl‐4H‐3,1‐benzothiazin‐4‐yl)acetic Acid Derivatives via Reactions of 3‐(2‐Isothiocyanatophenyl)prop‐2‐enoic Acid Derivatives with Thiols or Sodium Sulfide
Authors: Fukamachi Shuhei , Konishi Hisatoshi , Kobayashi Kazuhiro 
Published: January 2011

AbstractTwo efficient methods for the preparation of 2‐(2‐sulfanyl‐4H‐3,1‐benzothiazin‐4‐yl)acetic acid derivatives 3 under mild conditions have been developed. The first method is based on the reaction of 3‐(2‐isothiocyanatophenyl)prop‐2‐enoates 1a–1c with thiols in the presence of Et3N in THF at room temperature, leading to the corresponding dithiocarbamate intermediates 2, which underwent spontaneous cyclization at the same temperature by an attack of the S‐atom at the prop‐2‐enoyl moiety in a 1,4‐addition manner (Michael addition) to give 2‐(2‐sulfanyl‐4H‐3,1‐benzothiazin‐4‐yl)acetates in one pot. The second method involves treatment of 3‐(2‐isothiocyanatophenyl)prop‐2‐enoic acid derivatives 1b–1d with Na2S leading to the formation of 2‐(2‐sodiosulfanyl‐4H‐3,1‐benzothiazin‐4‐yl)acetic acid intermediates 5 by a similar addition/cyclization sequence, which are then allowed to react with alkyl or aryl halides to afford derivatives 3. 2‐(2‐Thioxo‐4H‐3,1‐benzothiazin‐4‐yl)acetic acid derivatives 6 can be obtained by omitting the addition of halides.
Synthesis and antiviral activity of novel pyrazole amides containing α‐aminophosphonate moiety
Authors: Wu Lintao , Song Baoan , Bhadury Pinaki S. , Yang Song , Hu Deyu , Jin Linhong 
Published: January 2011

AbstractA series of novel pyrazole amides J1, J2, J3, J4, J5, J6, J7, J8, J9, J10, J11, J12, J13, J14, J15 containing an α‐aminophosphonate moiety were synthesized and subsequently characterized by spectral (IR, 1H‐, 13C‐, 31P‐, and 19F‐NMR) data and elemental analysis. The racemic sample of J1 was further separated into its enantiomers under normal‐phase condition on two immobilized polysaccharide‐based chiral stationary phases (Chiralpak IA and Chiralpak IC). The synthesized compounds revealed certain degree of antiviral activity in the bioassay. The title compounds (J3, J10, and J12) showed some curative activities (39.9%, 41.8%, 50.1%, respectively) against tobacco mosaic virus at 0.5 mg/mL. J. Heterocyclic Chem., 00, 00 (2011).
Microwave‐mediated synthesis and antibacterial activity of some novel 2‐(substituted biphenyl) benzimidazoles via Suzuki‐Miyaura cross coupling reaction and their N‐substituted derivatives
Authors: Raut Changdev Namdev , Bharambe Shailendra Mitharam , Pawar Yogesh Ashok , Mahulikar Pramod Pandurang 
Published: January 2011

AbstractA series of some novel 2‐(substituted biphenyl) benzimidazoles and their N‐substituted derivatives were synthesized via microwave‐mediated Suzuki‐Miyaura coupling of 2‐(4‐iodophenyl)‐1H‐benzimidazole or 2‐(4‐iodophenyl)‐6‐amino‐1H‐benzimidazole and arylboronic acids. The method reported herein offers advantageous shorter reaction times, higher yields and is applicable to a large set of substrates. All the synthesized compounds were screened for their antibacterial activity against Staphylococcus aureus and Salmonella typhimurium bacterial species. J. Heterocyclic Chem., (2011).
Establishment of A431 cell membrane chromatography‐RPLC method for screening target components from Radix Caulophylli
Authors: Hou Xiaofang , Wang Sicen , Hou Jingjing , He Langchong 
Published: January 2011

AbstractWe describe here an analytical method of A431 cell membrane chromatography (A431/CMC) (CMC, cell membrane chromatography) combined with RPLC for recognition, separation, and identification of target components from traditional Chinese medicines (TCMs) Radix Caulophylli. The A431 cells with high expressed epidermal growth factor receptor (EGFR) were used to prepare the stationary phase in the CMC model. Retention fractions on the A431‐CMC model were collected using an automated fraction collection and injection module (FC/I). Each fraction was analyzed by RPLC under the optimized conditions. Gefitinib and erlotinib were used as standard compounds to investigate the suitability and reliability of the A431 cell membrane chromatography‐RPLC method prior to screening target component from Radix Caulophylli total alkaloids. The results indicated that caulophine and taspine were the target component acting on the epidermal growth factor receptor. This method could be an efficient way in drug discovery using natural medicinal herbs as a source of novel compounds.
Nowcasting thunderstorms with graph spectral distance and entropy estimation
Authors: Chaudhuri Sutapa , Middey Anirban 
Published: January 2011

AbstractThe aim of the present study is to forecast thunderstorms over Kolkata (22°32′N, 88°20′E), India, during the pre‐monsoon season (April–May) with graph spectral distance and entropy analysis. Graph vertices represent points connected by lines or edges, and lifting condensation level, convective condensation level, level of free convection, freezing level, level of neutral buoyancy and the surface level are taken as the input of the graph vertices. The variation in the most probable distance between the vertices is investigated. The result reveals a particular orientation of the vertex distances for thunderstorm days which is significantly different from the non‐thunderstorm days. The reference graphs for thunderstorm and non‐thunderstorm days are formed using the most probable vertex distances. The spectral distance between the reference graph and the graphs corresponding to thunderstorms are computed with the data collected during the period 1997–2009. The entropies, or the measure of disorderliness or uncertainty, are estimated for the graph distance matrices. The result shows that the thunderstorm days possess lower distance entropy than the non‐thunderstorm days. This indicates that the reference graph that has been constructed for thunderstorms is more consistent. The result further depicts that the forecast accuracy through the present method is 98% with 1 h lead time, whereas the accuracy is 93% with 6 h lead time. The forecast is validated with the India Meteorological Department observations for the years 2007, 2008 and 2009. Copyright © 2011 Royal Meteorological Society
Methylmercury and Brain Development: Imprecision and Underestimation of Developmental Neurotoxicity in Humans
Authors: Grandjean Philippe , Herz Katherine T. 
Published: January 2011

AbstractMethylmercury is now recognized as an important developmental neurotoxicant, though this insight developed slowly over many decades. Developmental neurotoxicity was first reported in a Swedish case report in 1952, and from a serious outbreak in Minamata, Japan, a few years later. Whereas the infant suffered congenital poisoning, the mother was barely harmed, thus reflecting a unique vulnerability of the developing nervous system. Nonetheless, exposure limits for this environmental chemical were based solely on adult toxicity until 50 years after the first report on developmental neurotoxicity. Even current evidence is affected by uncertainty, most importantly by imprecision of the exposure assessment in epidemiological studies. Detailed calculations suggest that the relative imprecision may be as much as 50%, or greater, thereby substantially biasing the results toward the null. In addition, as methylmercury exposure usually originates from fish and seafood that also contains essential nutrients, so‐called negative confounding may occur. Thus, the beneficial effects of the nutrients may appear to dampen the toxicity, unless proper adjustment is included in the analysis to reveal the true extent of adverse effects. These problems delayed the recognition of low‐level methylmercury neurotoxicity. However, such problems are not unique, and many other industrial compounds are thought to cause developmental neurotoxicity, mostly with less epidemiological support than methylmercury. The experience obtained with methylmercury should therefore be taken into account when evaluating the evidence for other substances suspected of being neurotoxic. Mt Sinai J Med 78:107–118, 2011 © 2011 Mount Sinai School of Medicine
Children's Health and the Environment: An Overview
Authors: Landrigan Philip J. , Miodovnik Amir 
Published: January 2011

AbstractEnvironmental pediatrics, the branch of pediatric medicine that studies the influence of the environment on children's health, has in the past decade grown exponentially. Rising rates of pediatric chronic disease and growing recognition of children's extensive exposures and great vulnerabilities to toxic hazards in the environment have catalyzed this expansion. New scientific initiatives have resulted. They include 14 Centers for Children's Environmental Health and Disease Prevention Research supported by the US National Institutes of Health and the US Environmental Protection Agency; a global network of Pediatric Environmental Health Specialty Units supported by the US Centers for Disease Control and Prevention/Agency for Toxic Substances and Disease Registry; new postdoctoral training programs in pediatric environmental medicine; and the National Children's Study, the largest prospective epidemiological study of children's health ever undertaken in the United States, which launched in 2009 and will follow 100,000 children from conception to age 21 to assess environmental influences on health and development. These research initiatives have delineated the exquisite vulnerability of fetuses, infants, and children to toxic hazards in the environment. They have led to discovery of new environmental causes of disease and disability in children. This issue of The Mount Sinai Journal of Medicine focuses on children's health and the environment. We have brought together thought leaders in children's environmental health to critically examine new research findings, to explore new opportunities for translating research to treatment and prevention, and to offer a vision for the future of this rapidly expanding field. Mt Sinai J Med 78:1–10, 2011. © 2011 Mount Sinai School of Medicine
Epidemiology of potentially inappropriate medication use in elderly patients in Japanese acute care hospitals
Authors: Sakuma Mio , Morimoto Takeshi , Matsui Kunihiko , Seki Susumu , Kuramoto Nobuo , Toshiro Jinichi , Murakami Junji , Fukui Tsuguya , Saito Mayuko , Hiraide Atsushi , Bates David W 
Published: January 2011

AbstractPurposeThe elderly receive many medications which may have adverse effects. Little evidence is available about the epidemiology of potentially inappropriate medications being prescribed to the elderly in Japan as defined by the Beers criteria, or whether or not these medications result in harm when used in this population.MethodsWe conducted a prospective cohort study of patients aged ≥65 years who were admitted to three acute care hospitals in Japan. Trained research nurses followed up patients from randomly selected wards and collected data about their medications and all potential adverse drug events (ADEs). Two independent reviewers evaluated all the data. The use of potentially inappropriate medications and their effects on patients were identified using the updated Beers criteria.ResultsA total of 2155 elderly patients were eligible; 56.1% received at least one drug listed in the Beers criteria (BL drug). The rates of BL drug prescriptions were 103.8 per 100 admissions and 53.7 per 1000 patient‐days, and the incidence rate of ADEs related to BL drugs was 1.7 per 100 BL drug prescriptions. Among patients aged ≥65 years, relatively younger patients (p = 0.0002) and those with less complications (p = 0.04) were likely to be prescribed BL drugs.ConclusionsAlthough BL drugs were frequently prescribed to elderly Japanese inpatients, the incidence of related ADEs appeared infrequent. These data suggest that re‐evaluation of the appropriateness of the Beers criteria is needed before they are used in Japan and other nations to assess quality or for decision support. Copyright © 2011 John Wiley & Sons, Ltd.
Composite Energetic Materials Containing Nitrotriazalone Formed by Molecular Inclusion
Authors: King Rachel J. , Salvatore Kimberley , Davies Philip J. , Smith Matthew W. , Wainwright Kevin P. 
Published: January 2011

AbstractThe explosive properties of inclusion compounds containing the monoanion of the energetic compound 3‐nitro‐1,2,4‐triazol‐5‐one (NTO−) non‐covalently bound to either of two larger, energetic, receptor complexes, namely 1‐(2,4‐dinitrophenyl)‐1,4,7,10‐tetraazacyclododecanezinc(II) or 1‐(2,4‐dinitrophenyl)‐1,4,7,10‐tetraazacyclododecanecopper(II), both as their monoperchlorate salts, are reported. The sensitivity of the receptor host–guest complexes to electrostatic discharge or friction was not found to differ from that displayed by the separate components. However, for thermal sensitivity it was found that whereas NTO− desensitized the Zn(II) receptor complex it sensitized the Cu(II) receptor complex. For sensitivity to impact, measured using the Rotter impact test, it was found that NTO− sensitized the Zn(II) receptor complex, but desensitized the Cu(II) receptor complex.
Observation of insulating–insulating monoclinic structural transition in macro‐sized VO2 single crystals
Authors: Mun Bongjin Simon , Chen Kai , Leem Youngchul , Dejoie Catherine , Tamura Nobumichi , Kunz Martin , Liu Zhi , Grass Michael E. , Park Changwoo , Yoon Joonseok , Lee Y. Yvette , Ju Honglyoul 
Published: January 2011

AbstractVO2 single crystals with unprecedented quality, exhibiting a first‐order metal–insulator transition (MIT) at 67.8 °C and an insulator –insulator transition (IIT) at ∼49 °C, are grown using a self‐flux evaporation method. Using synchrotron‐based X‐ray microdiffraction analysis, it is shown that the IIT is related to a structural phase transition (SPT) from the monoclinic M2 phase to the M1 phase upon heating while the MIT occurs together with a SPT of M1 to the rutile R phase. All previous reports have shown that VO2 exists in the M1 phase at room temperature in contrast to the M2 phase observed in this work. We suggest that internal strain inside single crystal VO2 may generate the previously unobserved IIT and the unusual room temperature structure. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Is wood pre‐treatment essential for tree‐ring nitrogen concentration and isotope analysis?
Authors: Doucet Annick , Savard Martine M. , Bégin Christian , Smirnoff Anna 
Published: January 2011

AbstractTree‐ring nitrogen concentrations and isotope ratios (δ15N) are gaining in popularity for environmental research although their use is still debated because of nitrogen mobility in tree stems. Modern studies generally present results on wood that is pre‐treated to remove soluble nitrogen compounds and to minimize the impact of radial translocation on tree‐ring nitrogen environmental records. However, the necessity to use such pre‐treatment has never been fully assessed. Here we compare the nitrogen concentrations and δ15N values of two wood preparation protocols applied to beech and red spruce tree rings for the removal of soluble compounds from ring pairs with non pre‐treated tree rings. For both tree species, pre‐treatment did not minimize the radial patterns of tree‐ring nitrogen concentrations and the increasing concentration trends that are coincident with the heartwood‐sapwood boundary. Therefore, even if the tree‐ring nitrogen concentrations are slightly modified by pre‐treatment, these concentrations are considered to reflect internal stem processes rather than environmental conditions in both species. The δ15N values were similar for untreated and pre‐treated ring pairs, suggesting that wood pre‐treatment did not substantially change the δ15N values and temporal trends in ring series. In addition, tree‐ring δ15N series of untreated and pre‐treated wood did not show any sign of influence of the heartwood‐sapwood boundary in either tree species, indicating that nitrogen translocation did not generate significant isotopic fractionation. We therefore suggest that untreated ring δ15N values of beech and red spruce trees can be used for environmental research. Copyright © 2011 John Wiley & Sons, Ltd.
Characterisation of a modified oligonucleotide together with its synthetic impurities using accurate mass measurements
Authors: Smith Marco 
Published: January 2011

AbstractOligonucleotide‐based drugs are beginning to establish themselves within the pharmaceutical industry as important agents in the treatment of various disease states with the potential of exhibiting high specificity with gene targeted therapies. Recent studies regarding RNA interference has stimulated interest in this field. There are now an increasing number of oligonucleotide‐based pharmaceutical products in various stages of clinical development for the treatment of life‐threatening diseases. As a result, the production of synthetic oligonucleotides has become increasingly important, with both antisense and RNAi‐related oligonucleotides under development as therapeutic agents. One potential drug candidate currently under development at GlaxoSmithKline, is a 2′‐O‐methyl phosphorothioate in which the non‐bridging oxygens of the phosphate diester are replaced with sulphur. Oligonucleotides are polymeric sequences made from an array of nucleotides (RNA, DNA and their respective analogs) usually ranging from 20–100 nucleotides. The polar nature, low thermal stability, complexity and large molecular weights of oligonucleotides have posed a challenge for the analysis of oligonucleotides by mass spectrometry. This paper demonstrates the use of negative ion electrospray with a combination of high resolution and high mass accuracy for the characterisation of oligonucleotides with the intention of supporting an evidence of structure document for a regulatory submission. This is a new area within the mass spectrometry field and as such there is limited software amongst the instrument companies for the data processing for the analysis of these compounds. Therefore, many of the examples in the literature only use mass spectrometry to generate average molecular weights by deconvoluting the multiple charged states observed to give an average molecular weight; under‐utilizing the capability of high‐resolution instruments. Copyright © 2011 John Wiley & Sons, Ltd.
Johnson‐Lindenstrauss lemma for circulant matrices**
Authors: Hinrichs Aicke , Vybíral Jan 
Published: January 2011

AbstractWe prove a variant of a Johnson‐Lindenstrauss lemma for matrices with circulant structure. This approach allows to minimize the randomness used, is easy to implement and provides good running times. The price to be paid is the higher dimension of the target space k = O(ε−2 log3
n) instead of the classical bound k = O(ε−2 log n). © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 2011
Maximum common subgraph isomorphism algorithms and their applications in molecular science: a review
Authors: Ehrlich Hans‐Christian , Rarey Matthias 
Published: January 2011

AbstractThe intuitive description of small and large molecules using graphs has led to an increasing interest in the application of graph concepts for describing, analyzing, and comparing small molecules as well as proteins. Graph theory is a well‐studied field and many applications are present in various scientific disciplines. Recent literature describes a number of successful applications to biological problems. One of the most applied concepts aims at finding a maximal common subgraph (MCS) isomorphism between two graphs. We review exact MCS algorithms, especially designed for graphs obtained from small and large molecules, and give an overview of their successful applications. © 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 68–79 DOI: 10.1002/wcms.5This article is categorized under:

Structure and Mechanism > Molecular Structures
Computer and Information Science > Chemoinformatics
Computer and Information Science > Computer Algorithms and Programming