bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Logic Design and Synthesis of Quinoxalines via the Integration of Iodination/Oxidation/Cyclization Sequences from Ketones and 1,2‐Diamines.
Authors: Lian Mi , Li Qi , Zhu Yanping , Yin Guodong , Wu Anxin 
Published: March 2013

AbstractA novel and convenient one‐pot protocol for the synthesis of quinoxaline derivatives is developed starting from simple ketones and phenylenediamines.
ChemInform Abstract: An Efficient and Convenient Method for Synthesizing New Derivatives of Pyrido[2,3‐e]pyrrolo[1,2‐a][1,4]diazepine‐5,10‐dione via Sonogashira, Suzuki—Miyaura, and Stille Cross‐Coupling Reactions.
Authors: El Bouakher Abderrahman , Prie Gildas , Aadil Mina , Lazar Said , El Hakmaoui Ahmed , Akssira Mohamed , Viaud‐Massuard Marie‐Claude 
Published: March 2013

AbstractThe chiral diazepine dione derivative (III) is used as starting material for the synthesis of a variety of 3‐substituted derivatives, which represent bioisosteres of the anthramycin scaffold.
ChemInform Abstract: Dirhodium Carboxylates Catalyzed Enantioselective Coupling Reactions of α‐Diazophosphonates, Anilines, and Electron‐Deficient Aldehydes.
Authors: Zhou Cong‐Ying , Wang Jing‐Cui , Wei Jinhu , Xu Zhen‐Jiang , Guo Zhen , Low Kam‐Hung , Che Chi‐Ming 
Published: March 2013

AbstractAn enantioselective three‐component reaction of anilines, aldehydes, and carbenes (generated by decomposition of diazophosphonates in the presence of Rh complexes) is investigated.
ChemInform Abstract: Palladium‐Catalyzed Asymmetric Addition of Diarylphosphines to N‐Tosylimines.
Authors: Huang Miao , Li Chun , Huang Jian , Duan Wei‐Liang , Xu Sheng 
Published: March 2013

AbstractThe reaction is conducted under mild conditions and affords the products with excellent enantioselectivities.
ChemInform Abstract: Synthesis of 3‐Oxaterpenoids and Its Application in the Total Synthesis of (.+‐.)‐Moluccanic Acid Methyl Ester.
Authors: Li Bin , Lai Yin‐Chang , Zhao Yujun , Wong Yiu‐Hang , Shen Zhi‐Liang , Loh Teck‐Peng 
Published: March 2013

AbstractThe simple protocol renders possible the highly diastereoselective synthesis of various title structures via InBr3‐catalyzed Prins‐polyene cyclization with aldehydes, acetals, and ketones.
ChemInform Abstract: New Cardenolides from the Seeds of Adonis aestivalis
Authors: Kubo Satoshi , Kuroda Minpei , Matsuo Yukiko , Masatani Daichi , Sakagami Hiroshi , Mimaki Yoshihiro 
Published: March 2013

Abstractisolation, structure determination and cytotoxic activity of a new cardenolide (Ia), two new glycosides of (Ia) and a new strophanthidin hexaglycoside (II)
ChemInform Abstract: Naucleactonin D, an Indole Alkaloid and other Chemical Constituents from Roots and Fruits of Mitragyna inermis.
Authors: Donfack Erik V. , Lenta Bruno N. , Kongue Michel D. T. , Fongang Yannick F. , Ngouela Silvere , Tsamo Etienne , Dittrich Birger , Laatsch Hatmurt 
Published: March 2013

Abstract[isolation and structure elucidation of the new alkaloid naucleactonin D (I) as well as biochemical investigations]
ChemInform Abstract: Tartaric Acid and Its O‐Acyl Derivatives. Part 10. Synthesis and Applications of Tartramides, Tartrimides and O‐Acyltartramides and Imides
Authors: Wlostowski Marek , Ruskowski Pawel , Synoradzki Ludwik 
Published: March 2013

AbstractReview: 104 refs.
Isoform Selective PI3K‐beta Inhibitors
Authors: Lin Hong 
Published: March 2013

AbstractAlthough PI3K/AKT has undoubtedly been one of the most important pathways that impact tumorigenesis and proliferation, PI3K‐beta has not been considered as a stand‐alone target for potential cancer treatment until the recent discovery of the key role that PI3K‐beta plays in phosphatase and TENsin homolog (PTEN)‐deficient tumors. Medicinal chemistry efforts from the pharmaceutical industry and academia in the past few years have led to significant advancements in understanding beta isoform selectivity and in the development of a clinical drug candidate.
Oxidative Degradation of Orange II Dye in Water with Raw and Acid‐Treated ZnO, and MnO2
Authors: Das Moutusi , Bhattacharyya Krishna G. 
Published: March 2013

AbstractCommercial ZnO, MnO2, and their acid‐treated forms were used as catalysts for oxidative degradation of Orange II dye in water. ZnO and MnO2 were treated with 0.5, 0.75, or 1.0 N aqueous H2SO4. The acid treated oxides were found to be highly effective in bringing about degradation of Orange II in water. As much as 68.7% of the dye in an aqueous solution of 1 mg/L concentration could be degraded with untreated ZnO as the catalyst. The degradation increased to 79.5% with 1.0 N acid treated ZnO as the catalyst when the reaction was carried out at room temperature for 240 min. The catalytic activity was slightly affected by the solution pH in the range of 2.0–8.0. With MnO2 as the catalyst, there was only 12.7% degradation of the dye, but this increased up to 100% when 0.5 N acid treated MnO2 was used as the catalyst. It was found that a catalyst loading of 5.0 g/L of raw and acid‐treated ZnO and a loading of 0.5 g/L of raw and acid‐treated MnO2 could bring about almost 100% degradation of Orange II in water in an interaction time of 240 min at room temperature.
Mass Balance Study on Phosphorus Removal in Constructed Wetland Microcosms Treating Polluted River Water
Authors: Wu Haiming , Zhang Jian , Li Cong , Fan Jinlin , Zou Yina 
Published: March 2013

AbstractA number of studies have showed that the mass removal rates of phosphorus (P) in different constructed wetlands (CWs) varied significantly, and it is essential to quantify the contributions of major P removal processes in order to improve system design. The objective of this study was to investigate the effects of vegetation, hydraulic retention time (HRT), and water temperature on P removal from polluted river water and to quantify the contributions of different P removal pathways in surface CWs. Results showed that the average total P removal rates ranged between 2.69 and 20.84 mg/(m2 day) in different seasons and were influenced significantly by vegetation, HRT, and water temperature. According to the mass balance approach, plant uptake removed 4.81–22.33% of P input, while media storage contributed 36.16–49.66%. Other P removal processes such as microbiota uptake removed around 0.26–4.13%. Media storage and plant uptake were identified as the main P removal processes in surface CWs treating polluted river water. This illustrated the importance of selecting media and plants in CWs for future practical application.
Identification of EGFR mutation, KRAS mutation, and ALK gene rearrangement in cytological specimens of primary and metastatic lung adenocarcinoma
Authors: Cai Guoping , Wong Rebecca , Chhieng David , Levy Gillian H. , Gettinger Scott N. , Herbst Roy S. , Puchalski Jonathan T. , Homer Robert J. , Hui Pei 
Published: March 2013

BACKGROUNDThe identification of molecular alterations has an important therapeutic implication in patients with lung adenocarcinomas. In the current study, the authors evaluated their experience with the identification of epidermal growth factor receptor (EGFR), Kirsten rat sarcoma viral oncogene homolog (KRAS) mutation, and anaplastic lymphoma kinase (ALK) gene rearrangement using cytological specimens of primary and metastatic lung adenocarcinoma.METHODSA total of 54 cases of lung adenocarcinomas (11 primary and 43 metastatic tumors) in which molecular tests were performed were retrieved. Molecular tests were performed on the cell block material of 19 effusions and 35 fine‐needle aspirates. EGFR mutation was evaluated by polymerase chain reaction sequencing analysis of exons 18, 19, 20, and 21. KRAS mutation was tested using polymerase chain reaction–single‐strand conformational polymorphism analysis of codons 12 and 13. ALK gene rearrangement was evaluated by fluorescence in situ hybridization using an ALK break apart probe.RESULTSMolecular tests were successful in 49 of 54 cases (91%). Evaluation of EGFR mutation, KRAS mutation, and ALK gene rearrangement were performed in 49 cases, 14 cases, and 22 cases, respectively. EGFR mutations were found in 14 of 49 cases (29%), including 5 primary and 9 metastatic tumors. Three metastatic/recurrent adenocarcinomas demonstrated an additional EGFR T790M mutation that was not identified in the original specimens. KRAS mutation was detected in 3 of 14 cases (21%) including 1 primary and 2 metastatic tumors. ALK gene rearrangement was evident in 3 of 22 cases (14%), all of which were metastatic tumors.CONCLUSIONSThe results of the current study have demonstrated the feasibility of using cytological specimens for EGFR mutation, KRAS mutation, and ALK gene rearrangement analysis. Repeating molecular testing in metastatic/recurrent lung adenocarcinomas may uncover newly acquired molecular alterations. Cancer (Cancer Cytopathol) 2013;121:500–7. © 2013 American Cancer Society.
Pharmacokinetic Studies of Cysteamine Bitartrate Delayed‐Release
Authors: Dohil Ranjan , Rioux Patrice 
Published: March 2013

AbstractA twice‐daily microsphere formulation of cysteamine bitartrate has been developed for cystinosis and other potential applications. To date, there are no published pharmacokinetic data for cysteamine bitartrate delayed‐release in healthy adults. Three randomized open‐label, crossover studies to determine the effects of fasting, high fat, and carbohydrate meals on the bioavailability of cysteamine bitartrate delayed‐release (600 mg) administered in capsule or sprinkle form to healthy adults. Adverse events were monitored. Fifty‐eight adults were studied. Cysteamine absorption (AUC0–24 hours) was the same for capsule and sprinkle forms during all meal/fasting states. The AUC0–24 hours for capsules while fasted, 30 and 120 minutes before a carbohydrate meal and during a high fat meal were 6,313 ± 329, 4,616 ± 878, 6,691 ± 669, 2,572 ± 295 minutes × µM, respectively, and the mean Cmax values were 29.4 ± 1.7, 20.7 ± 4.9, 31.6 ± 3.0, and 10.9 ± 1.7 µM, respectively. The mean Tmax following fasting and high fat meal were about 3 and 6 hours, respectively. Minor transient GI adverse events occurred. Cysteamine bitartrate delayed‐release capsule and sprinkle forms are bioequivalent and optimal absorption occurs during fasting state. High fat diet reduces drug absorption, increases the Tmax and should be avoided at the time of drug ingestion. Cysteamine bitartrate delayed‐release (RP103) is best ingested >30 minutes before a carbohydrate‐rich meal.
Theoretical Investigation of the Coupling between Hydrogen‐Atom Transfer and Stacking Interaction in Adenine–Thymine Dimers
Authors: Villani Giovanni 
Published: March 2013

AbstractThree different dimers of the adenine–thymine (A‐T) base pair are studied to point out the changes of important properties (structure, atomic charge, energy and so on) induced by coupling between the movement of the atoms in the hydrogen bonds and the stacking interaction. The comparison of these results with those for the A‐T monomer system explains the role of the stacking interaction in the hydrogen‐atom transfer in this biologically important base pair. The results support the idea that this coupling depends on the exact dimer considered and is different for the NN and NO hydrogen bonds. In particular, the correlation between the hydrogen transfer and the stacking interaction is more relevant for the NN bridge than for the NO one. Also, the two different mechanisms of two‐hydrogen transfer (step by step and concerted) can be modified by the stacking interaction between the base pairs.
The mineral component of human cardiovascular deposits: morphological, structural and crystal‐chemical characterization
Authors: Danilchenko S. N. , Kuznetsov V. N. , Stanislavov A. S. , Kalinkevich A. N. , Starikov V. V. , Moskalenko R. A. , Kalinichenko T. G. , Kochenko A. V. , Lü Jinjun , Shang Jian , Yang Shengrong 
Published: March 2013

AbstractComplementary experimental techniques were applied to characterize bioapatite nanocrystals from pathological cardiovascular deposits. The investigated collection included the leaflets from aortic valve, leaflets from mitral valve, leaflets from tricuspid valve and calcified aorta's wall. XRD, EDX and FTIR data have shown that all studied samples consist of imperfect apatite with different crystallinity and variable chemical composition. In accordance with TEM data, the crystals of pathological calcified deposits frequently have oblong or rod‐like shape (length of 60‐90 nanometers, width of 20‐30 nanometers). At the same time, in the SEM and TEM experiments, the complex spheroid assemblies and planar sheet‐like shaped formations with crystal structure close to apatite were observed. Probably, the different shape and morphology of the particles are caused by different ways of crystal nucleation and growth, although the exact mechanisms remain an open question.
Double Salts Iodide Scintillators: Cesium Barium Iodide, Cesium Calcium Iodide, and Barium Bromine Iodide
Authors: Rowe E. , Tupitsyn E. , Wiggins B. , Bhattacharya P. , Matei L. , Groza M. , Buliga V. , Burger A. , Beck P. , Cherepy N.J. , Payne S.A. 
Published: March 2013

AbstractIn this study we review the state‐of‐the‐art for double salt iodide scintillators, in particular cesium barium iodide (CBI), cesium calcium iodide (CCI) and barium bromine iodide (BBI), as well as report on their scintillation and optical properties. Double salt iodides inherently have high density and atomic number which translates to good stopping power for energetic particles, in particular gamma rays. Light yields of 54,000 ph/MeV for CBI, 51,000 ph/MeV for CCI, and 46,000 ph/MeV for BBI were measured. A FWHM energy resolution for the 662 keV full absorption peak was observed at 5.7% for CBI, 16.3% for CCI and 3.56% for BBI. The principal scintillation decay timing for CBI was 840 ns, 462 ns for BBI, and two distinct time components of 9 ns and 1900 ns were observed for CCI.
Facile synthesis of pencil‐like ZnO nanostructures at low temperature
Authors: Wang Li , Chen Kezheng 
Published: March 2013

AbstractPencil‐like ZnO nanostructure was synthesized by directly oxidizing granular Zn films, which was thermal deposited in a nitrogen atmosphere from Zn powder in a horizontal tube furnace. The formation of the pencil‐like structure, including a hexagonal rod and a sharp tip with diameter about 60 nm, highly depend on the thickness of the initial zinc film and the temperature of the oxidizing process. ZnO nanorods were formed in a relatively low temperature, while thicker zinc film was apt to form a dense ZnO film with tubular structures. The different structured ZnO materials showed distinguishing optical properties which indicate the intrinsic defects forming in the different growth conditions. The pencil‐like ZnO structures exhibit a relatively strong green emission attributed to the high concentrations of oxygen vacancies and its taper tip has great prospects in field‐emission devices.
Application of medium engineering in the synthesis of structured triacylglycerols from evening primrose oil (Oenothera biennis L.)
Authors: Adamczak Marek , Bornscheuer Uwe T. 
Published: March 2013

AbstractIn this study, evening primrose oil (EPO), rich in γ‐linoleic acid (GLA) in the sn‐2 position was used as a substrate for the synthesis of structured triacylglycerols (sTAG) of the MLM‐type (bearing a medium chain fatty acid in the sn‐1‐ and ‐3‐positions and a long chain fatty acid in the sn‐2‐position). The highest yield of sTAG by interesterification with tricapyrlin was 23 and 28% for Rhizopus delemar lipase (RDL) and Rhizomucor miehei lipase (RML), respectively. In an acidolysis using caprylic acid, methyl‐tert‐butyl ether (MTBE) was preferred over hexane and also the yield was higher than in interesterification and reached 32–38% for RDL and 25–28% for RML. Alternatively, a two‐step method was used, in which first 2‐MAG could be best obtained in MTBE at an initial water activity of aw = 0.11. In the ethanolysis of EPO catalyzed by RDL, 2‐MAG was obtained, which contained about 78% of GLA. After isolation of the 2‐MAG, the highest content of 79% sTAG of the MLM‐type was obtained then by esterification of 2‐MAG rich in GLA with caprylic acid. This reaction was catalyzed by RDL in n‐hexane at a molar ratio of caprylic acid to 2‐MAG of 3:1. All biocatalytic reactions were also performed with recycling of the lipase, but after several consecutive batches the activity of the lipase was decreased mostly due to mechanical instability of the carrier material.Practical applications: The presented methods of medium engineering enable sTAGs to be synthesized using a natural substrate (EPO, Oenothera biennis L.). Especially the two‐step method enables a high yield synthesis of sTAG containing γ‐linoleic acid in the sn‐2 position and the medium‐chain caprylic acid in the sn‐1 and sn‐3 positions. This sTAG is rare in nature and the chemical synthesis is cumbersome. This sTAG could be applied in human nutrition as low‐calorie fat with a beneficial effect on human health because of the high content of the polyenoic GLA.
Sulfonamide Synthesis via Oxyma‐O‐sulfonates – Compatibility to Acid Sensitive Groups and Solid‐Phase Peptide Synthesis
Authors: Palakurthy Nani Babu , Dev Dharm , Rana Shubhasmin , Nadimpally Krishna Chaitanya , Mandal Bhubaneswar 
Published: March 2013

AbstractA milder and more efficient procedure for the synthesis of sulfonamides by activating sulfonic acid groups as the corresponding sulfonate esters of ethyl 2‐cyano‐2‐(hydroxyimino)acetate (Oxyma) is reported. This method is greener than all other existing protocols for the purpose. Other important advantages lie in (a) its applicability to less nucleophilic anilines under ambient and milder conditions and (b) its compatibility with solid phase peptide synthesis and acid‐labile groups such as trityl (Trt) and tBu, which empowers the solid phase synthesis of sulfonamides of various peptides. To illustrate this, the syntheses of three sulfonamide derivatives of the peptide GAILG‐NH2, which is relevant in the context of drug design against type 2 diabetes, are demonstrated by using Fmoc‐based solid‐phase peptide synthesis (SPPS).
Asymmetric Michael Addition of Cyclohexanone or Cyclopentanone to Chalcones Catalyzed by an L‐Proline‐Based Organic Phosphane
Authors: Liu Lingyan , Zhu Yunna , Huang Kaimeng , Chang Weixing , Li Jing 
Published: March 2013

AbstractAn organophosphane catalyst derived from L‐proline was shown to be a very effective catalyst for asymmetric Michael addition reactions of various chalcones to cyclic ketones including both cyclohexanone and cyclopentanone. The corresponding adducts could be obtained in high yields (up to 91 %) and with excellent enantioselectivities (up to 99 % ee) and diastereomeric ratios (up to >99:1). A possible catalytic mechanism, based on 31P NMR and ESI‐MS observations, for this organophosphane‐catalyzed Michael addition has been proposed.
Influence of the intensification of the major oceanic moisture sources on continental precipitation
Authors: Gimeno Luis , Nieto Raquel , Drumond Anita , Castillo Rodrigo , Trigo Ricardo 
Published: March 2013

AbstractIn this study, we address two key issues in the hydrological cycle that have remained elusive: 1) to what extent can we expect climate change to affect the transport of moisture? and, in particular, 2) how will the changes in the sources’ intensity (that is, more evaporation) affect the distribution of continental precipitation? This was achieved using a multimodel ensemble that allowed delimiting those oceanic areas where climate change will likely lead to an increase in evaporation (E) minus precipitation (P). Finally, a sophisticated Lagrangian model was used to identify which continental regions will be affected by changes in precipitation (E − P < 0) originating in each oceanic moisture source. We find that in boreal winter, wide sectors of Europe, Asia, Middle East, South America, and southern Africa are affected, but North America emerges as the most affected continental region. In austral winter, the largest changes are confined to northern and Central America.
Global Reactivity of Heterostructure Armchair BC2N‐(4,4) Nanotubes: A Density Functional Theory Investigation
Authors: Boshra Asadollah , Bagheri Samira , Jadidi Siamak 
Published: March 2013

ABSTRACTElectronic structures of three types of heterostructure armchair BC2N nanotube besides armchair (4,4)CNT and (4,4)BNNT were calculated by the B3LYP method of density functional theory. The reactivities of nanotubes were discussed by means of obtained vertical ionization potentials and electron affinity potentials. The corresponding electrophilicity values are well correlated with those obtained from the HOMO and LUMO energies of the nanotubes. The good linear correlation found between ω(I,A) and ω(H,L) allows to confirm the use of the easily available B3LYP/6‐31G(d) HOMO and LUMO energies to obtain reasonable values of the global electrophilicity index of nanotubes at a lower computational cost. © 2013 Wiley Periodicals, Inc. Heteroatom Chem 24:168–173, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.21078
Sesterterpenes and 2H‐Pyran‐2‐ones (=α‐Pyrones) from the Mangrove‐Derived Endophytic Fungus Fusarium proliferatum MA‐84
Authors: Liu Dong , Li Xiao‐Ming , Li Chun‐Shun , Wang Bin‐Gui 
Published: March 2013

AbstractTwo new tricyclic sesterterpenes, fusaprolifins A and B (1 and 2), and three new 2H‐pyran‐2‐one derivatives, prolipyrones A – C (3–5), were isolated and characterized from Fusarium proliferatum MA‐84, an endophytic fungus obtained from the fresh tissue of the marine mangrove plant Bruguiera sexangula. In addition, two known sesterterpenes, terpestacin (6) and fusaproliferin (7), and one known 2H‐pyran‐2‐one derivative, gibepyrone D (8), were also identified. The structures of these compounds were elucidated by detailed spectroscopic analyses. Fusaprolifin A (1) showed moderate activity against brine shrimp (Artemia salina), with a lethality rate of 49.5% at 100 μg/ml, while fusaprolifin B (2) showed weak activity.
Two New Secoanthraquinone Derivatives from the Marine‐Derived Endophytic Fungus Aspergillus wentii EN‐48
Authors: Sun Hao‐Fen , Li Xiao‐Ming , Meng Ling‐Hong , Cui Chuan‐Ming , Gao Shu‐Shan , Li Chun‐Shun , Wang Bin‐Gui 
Published: March 2013

AbstractTwo new secoanthraquinone derivatives, wentiquinones A (1) and B (2), together with the eight known compounds 3–10, were isolated from the culture extracts of Aspergillus wentii EN‐48, an endophytic fungus derived from an unidentified marine brown algal species of the genus Sargassum. The structures of these compounds were elucidated on the basis of extensive spectroscopic analysis.
Androstane‐Type Steroidal Glycoside from the Roots of Asparagus curillusBuch.‐Ham. ex Roxb.
Authors: Semwal Deepak Kumar , Semwal Ruchi Badoni , Singh Gurjaspreet 
Published: March 2013

AbstractThe novel androstane‐type steroidal glycoside 1 was isolated from the roots of Asparagus curillus Buch.‐Ham. ex Roxb. Its structure was elucidated as (2α,3β,5α,17β)‐17‐(1‐methoxyethoxy)‐17‐methylandrostane‐2,3‐diol 3‐(β‐D‐digitoxopyranoside) by means of chemical and advanced spectral analysis.
Reactions of Enaminones with Diazocarbonyl Compounds
Authors: Şeyma Güngör Füsun , Hancıoğlu Neslihan , Anaç Olcay 
Published: March 2013

AbstractThe [Cu(acac)2]‐catalyzed reactions of several tertiary enaminones with three diazocarbonyl compounds, i.e., dimethyl diazomalonate, ethyl diazoacetoacetate, and ethyl diazoacetate, yielded amino‐ and additionally carbonyl‐substituted dihydrofurans, together with further furan derivatives. Due to the conjugation of α‐carbonyl/α‐Ph groups, reactions proceeded only via 1,5‐electrocyclization of corresponding keto‐ylides. On the other hand, in the absence of any α‐substituent, tertiary enaminone and ethyl diazoacetate, reacted via an accompanying mechanism by a push‐pull cyclopropane intermediate, to yield a 2,4‐dicarbonyl‐substituted furan in one step with moderate yield.