bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Chiral Pyridinium Phosphoramide as a Dual Broensted Acid Catalyst for Enantioselective Diels—Alder Reaction.
Authors: Nishikawa Yasuhiro , Nakano Saki , Tahira Yuu , Terazawa Kanako , Yamazaki Ken , Kitamura Chitoshi , Hara Osamu 
Published: September 2016

AbstractThe title catalysts are applied in the highly enantioselective Diels—Alder reaction between 1‐amino dienes with maleimides or benzoquinones.
ChemInform Abstract: Iron‐Catalyzed Domino Indole Fluorination/Allenic Aza‐Claisen Rearrangement.
Authors: Alcaide Benito , Almendros Pedro , Cembellin Sara , Martinez del Campo Teresa , Munoz Alejandro 
Published: September 2016

AbstractThe reaction of N‐allenylmethylated indoles and Selectfluor provides 2‐allenylmethyl‐3,3‐difluoroindolines within short reaction times which can be further converted to pyridoindoles.
ChemInform Abstract: Transition‐Metal‐Free Synthesis of 2‐Arylimidazolones via Cascade Reaction Between Arynes and α,α′‐Disubstituted α‐Isocyanoacetamides.
Authors: Gesu Alessandro , Pozzoli Claudio , Torre Enza , Aprile Silvio , Pirali Tracey 
Published: September 2016

AbstractThe reaction tolerates diversely functionalized isocyanoacetamides.
ChemInform Abstract: N2‐Selective Iodofunctionalization of Olefins with NH‐1,2,3‐Triazoles to Provide N2‐Alkyl‐Substituted 1,2,3‐Triazoles.
Authors: Zhu Li‐Li , Xu Xiao‐Qi , Shi Jin‐Wei , Chen Bai‐Ling , Chen Zili 
Published: September 2016

AbstractThe reaction tolerates a wide range of substituents and functional groups, and proceeds with excellent selectivity.
ChemInform Abstract: A Highly Stable and Versatile Heterobifunctional Fluoroalkylation Reagent for Preparation of Fluorinated Organic Compounds.
Authors: Dai Jingwen , Li Zili , Wang Taisheng , Bai Ruke 
Published: September 2016

AbstractA dipolar cycloaddition of the newly prepared, highly stable fluoroalkylation reagent (II) with terminal alkynes affords 1‐(chlorofluoroiodoethyl)‐1,2,3‐triazoles.
ChemInform Abstract: Synthesis of 4‐Quinolones: N,O‐Bis(trimethylsilyl)acetamide‐Mediated Cyclization with Cleavage of Aromatic C—O Bond.
Authors: Pisa Ondrej , Radl Stanislav 
Published: September 2016

AbstractBSA‐mediated cyclization of 1‐(2‐methoxyphenyl)arylaminopropenones efficiently produces 1,4‐dihydro‐4‐oxoquinoline derivatives via cleavage of the aromatic C‐O bond and loss of the 2‐methoxy substituent.
ChemInform Abstract: Metal‐Free Oxidative Cascade Cyclization of Isocyanides with Thiols: A New Pathway for Constructing 6‐Aryl(alkyl)thiophenanthridines.
Authors: Yang Ziqi , Song Xiangyang , Wei Zhonglin , Cao Jungang , Liang Dapeng , Duan Haifeng , Lin Yingjie 
Published: September 2016

AbstractThe title reaction tolerates various substituents in both partners and is proposed to proceed through a free radical mechanism.
ChemInform Abstract: Synthesis of Quinazolines and Dihydroquinazolines: o‐Iodoxybenzoic Acid Mediated Tandem Reaction of o‐Aminobenzylamine with Aldehydes.
Authors: Hati Santanu , Sen Subhabrata 
Published: September 2016

AbstractBy simply altering the amount of the IBX reagent, either quinazolines or 3,4‐dihydroquinazolines are accessible in good to high yields.
ChemInform Abstract: Synthesis of Thiazolo[5,4‐d][1,2,4]triazolo[4,3‐a]pyrimidines as a New Class of Heterocyclic Compounds.
Authors: Moradi Hassanali , Eshghi Hossein , Bakavoli Mehdi 
Published: September 2016

AbstractAn efficient synthetic pathway for the formation of derivatives of the novel title heterocyclic system (IX), potential templates in drug discovery, is given.
ChemInform Abstract: An Efficient Multi‐Component Synthesis of N‐1‐Alkylated 5‐Nitrouracils from α‐Amino Acids.
Authors: Harris Craig S. , et al.  
Published: September 2016

AbstractAn efficient multi‐component reaction is developed for the synthesis of the key precursors (VI) with quaternary C‐center at N‐1, which undergo base mediated cyclization to form the title uracil derivatives.
ChemInform Abstract: Asymmetric Hydrogenation of α‐Purine Nucleobase‐Substituted Acrylates with Rhodium Diphosphine Complexes: Access to Tenofovir Analogues.
Authors: Sun Huan‐Li , Chen Fei , Xie Ming‐Sheng , Guo Hai‐Ming , Qu Gui‐Rong , He Yan‐Mei , Fan Qing‐Hua 
Published: September 2016

AbstractVarious mono‐ and disubstituted acrylates are conveniently hydrogenated under very mild reaction conditions with good to excellent enantioselectivities.
ChemInform Abstract: Copper‐Catalyzed Cascade Cycloamination of α‐Csp3—H Bond of N‐Aryl Ketimines with Azides: Access to Quinoxalines.
Authors: Chen Tengfei , Chen Xun , Wei Jun , Lin Dongen , Xie Ying , Zeng Wei 
Published: September 2016

AbstractStarting from variously functionalized alkylaryl as well as alkylhetaryl substituted N‐aryl ketoimines the efficient protocol offers access to 2‐substituted as well as 2,3‐disubstituted quinoxalines.
ChemInform Abstract: Synthesis of Azepane Derivatives by Silyl‐Aza‐Prins Cyclization of Allylsilyl Amines: Influence of the Catalyst in the Outcome of the Reaction.
Authors: Barbero Asuncion , Diez‐Varga Alberto , Pulido Francisco J. , Gonzalez‐Ortega Alfonso 
Published: September 2016

AbstractThe title reaction between allylsilyl amines and aryl or alkenyl aldehydes proceeds in high yields and with high selectivity toward the 2,7‐trans‐azepane.
ChemInform Abstract: Cu(I)‐Catalyzed Tandem Reaction of Carbene Coupling and Horner—Wadsworth—Emmons Type Olefination: Access Toward Enynes.
Authors: Zhou Yujing , Ye Fei , Zhou Qi , Zhang Yan , Wang Jianbo 
Published: September 2016

AbstractThe efficient one‐pot three component reaction between aryl αdiazophosphonates, (triisopropylsilyl)acetylene and aryl, hetaryl, alkenyl or alkyl aldehydes proceeds with high to excellent (Z)‐selectivity.
ChemInform Abstract: Intramolecular Pd‐Catalyzed Arylation of 1‐Amidosugars: A New Route to N‐Glycosyl Quinolin‐2‐ones.
Authors: Luong Thi Thanh Huyen , Brion Jean‐Daniel , Lescop Ewen , Alami Mouad , Messaoudi Samir 
Published: September 2016

AbstractCoupling of acrylic acids (I) with 1‐aminosugars such as (II) provides 1‐amidosugars, which are immediately subjected to Pd‐catalyzed intramolecular cyclization to form N‐glycosyl quinolinones.
Structural Basis and Mechanism of Chiral Benzedrine Molecules Interacting With Third Dopamine Receptor
Authors: Wang Ming , Xie Wei , Li Aijing , Xu Sichuan 
Published: September 2016

AbstractIn order to investigate the chiral benzedrine molecules corresponding to their different characteristics in biochemical systems, we studied their interaction with D3R using the docking method, molecular dynamic simulation, and quantum chemistry. The obtained results indicate that the active residues for R‐benzedrine (RAT) bound with D3R are Ala132, Asp133, and Tyr55, while Asn57, Asp133, Asp168, Cys172, Gly54, Trp24, and Vall136 act as the active residues for S‐benzedrine (SAT). The different active pockets are observed for ART or SAT because they possess different active residues. The binding energies between RAT and SAT with D3R were determined to be −44.0 kJ.mol−1 and −71.2 kJ.mol−1, respectively. These results demonstrate that SAT within the studied pocket of D3R has a stronger capability of binding with D3R, while it is more feasible for RAT to leave from the interior positions of D3R. In addition, the results suggest that the D3R protein can recognize chiral benzedrine molecules and influence their different addictive and pharmacological effects in biochemical systems. Chirality 28:674–685, 2016. © 2016 Wiley Periodicals, Inc.
Determination of CO2 storage density in a partially water‐saturated lab reservoir containing CH4 from injection of captured flue gas by gas hydrate crystallization
Authors: Sun Duo , Englezos Peter 
Published: September 2016

AbstractIt has been demonstrated that CO2 storage in depleted natural gas reservoirs at gas hydrate formation conditions is an opportunity to mitigate the emission of CO2 from fossil fuel combustion or gasification sources. More than 100 depleted natural gas reservoirs located in Alberta, Canada were investigated and recognized as potential sites for CO2 storage using hydrate technology. Treated flue gas captured from large stationary sources is generally a gas mixture of CO2 with N2, O2, and other impurities. The depleted gas reservoirs still contain natural gas that was not economically recoverable. In this work CO2 and a CO2/N2 (90/10 mol%) gas mixture were used for injection in a laboratory reservoir that contained residual CH4. The experimental results indicated that about 80 % of the original water in the reservoir formed CO2 hydrate after 120 h. The total CO2 storage density (in hydrate, gaseous, and dissolved state) from the injection of the CO2/N2 mixture into a 500 kPa CH4 reservoir was found to be 118.6 kg/m3. The addition of a certain amount of tapioca starch in the reservoir delayed the onset of nucleation and improved the CO2 storage density (121 kg/m3). This storage density may also be achieved by compressing the gaseous CO2/N2 mixture to 5220 kPa at 285 K. This study shows that hydrate technology provides more CO2 storage density than other storage methods or the same storage but at much lower compression costs.
Formation of hydrogen peroxide and treatment of Sunset Yellow wastewater using pulsed high‐voltage discharge system
Authors: Zhou Zhiyong , Ma Yuepeng , Liu Ying , Lu Shuaijun , Ren Zhongqi 
Published: September 2016

AbstractPulsed high‐voltage discharge, one of the advanced oxidation processes, was used for the treatment of Sunset Yellow wastewater. The effects of discharge type, initial pH, conductivity, and bubbling gas type on the formation of H2O2 were investigated in the mechanism experiments using deionized water. The concentration of H2O2 formed in hybrid series discharge mode was higher than that formed in hybrid gas‐liquid discharge and liquid discharge modes. Moreover, a pH of 1 and low conductivity were beneficial to the formation of H2O2. Bubbling O2 could obviously enhance the generation of H2O2. Afterwards, the effects of discharge type, initial pH, and bubbling gas type on the formation of H2O2 were also studied in the degradation experiments of Sunset Yellow. The experiment results were consistent with the mechanism experiments. Fenton reaction happened by the introduction of Fe2+ into the discharge process, which obviously enhanced the degradation of Sunset Yellow. Besides, the effects of initial pH and Fe2+ concentration on the Sunset Yellow degradation followed the second‐order kinetics. Moreover, the degradation efficiency of Sunset Yellow with copper mesh as an electrode was much higher than that with the needle electrode. This article proposed a feasible approach to deal with Sunset Yellow wastewater.
A randomized, double‐blind, phase 2 trial of platinum therapy plus etoposide with or without concurrent vandetanib (ZD6474) in patients with previously untreated extensive‐stage small cell lung cancer: Hoosier Cancer Research Network LUN06‐113
Authors: Sanborn Rachel E. , Patel Jyoti D. , Masters Gregory A. , Jayaram Nagesh , Stephens Anthony , Guarino Michael , Misleh Jamal , Wu Jingwei , Hanna Nasser 
Published: September 2016

BACKGROUNDThis randomized, double‐blind, phase 2 trial evaluated whether the addition of vandetanib to platinum plus etoposide for previously untreated extensive‐stage small cell lung cancer (SCLC) prolonged the time to disease progression in comparison with chemotherapy alone.METHODSPatients with previously untreated extensive‐stage SCLC received platinum (cisplatin or carboplatin) with etoposide in combination with vandetanib (100 mg daily) or a placebo for up to 4 total cycles (no maintenance therapy). An initial safety run‐in phase was conducted with the first 6 patients enrolled; all these patients received vandetanib with cisplatin and etoposide. With an overall sample size of 68 patients, the study had 80% power to detect a 3‐month difference in the time to progression (TTP) from 4 to 7 months (significance level,.10 [1‐sided log‐rank test]).RESULTSSeventy‐four patients were enrolled between April 2008 and May 2013. Thirty‐three patients were ultimately randomized to each arm. The baseline characteristics were well balanced, and the median number of treatment cycles was 4 for each arm. Thirty‐one patients in each arm were evaluable for TTP; the median TTP was 5.62 months with vandetanib and 5.68 months with the placebo (P = .9518). The median overall survival was 13.24 months with vandetanib and 9.23 months with the placebo (P = .4577; 33 evaluable patients in each arm). Nonhematologic toxicity was increased with vandetanib versus the placebo. No correlation was seen between vascular endothelial growth factor polymorphisms and outcomes.CONCLUSIONSThe addition of vandetanib to platinum and etoposide did not improve outcomes for patients with newly diagnosed extensive‐stage SCLC. Toxicity was increased in comparison with chemotherapy alone. Cancer 2017;123:303–311. © 2016 American Cancer Society.
Effects of long‐term androgen deprivation therapy on cognitive function over 36 months in men with prostate cancer
Authors: Alibhai Shabbir M.H. , Timilshina Narhari , Duff‐Canning Sarah , Breunis Henriette , Tannock Ian F. , Naglie Gary , Fleshner Neil E. , Krahn Murray D. , Warde Padraig , Marzouk Shireen , Tomlinson George A. 
Published: September 2016

BACKGROUNDMany men with prostate cancer (PC) require long‐term androgen deprivation therapy (ADT), but to the authors' knowledge, its effects on cognitive function beyond 1 year are not described.METHODSThree groups of men aged ≥50 years who were matched based on age and education were enrolled: 77 patients with nonmetastatic PC who initiated continuous ADT, 82 patients with PC who were not receiving ADT (PC controls), and 82 healthy controls. A battery of 14 neuropsychological tests, examining 8 cognitive domains, was administered on 5 occasions over 36 months. Changes in cognitive scores over time were analyzed using 3 approaches: linear mixed effects regression, the percentage of participants per group with declines in ≥1/2 cognitive tests, and a global summary of cognitive change.RESULTSThe mean age of the study subjects was 68.9 years, with a median of 16 years of education. In mixed effects models adjusted for age and education, ADT use was not found to be associated with significant changes over time in any cognitive test compared with healthy controls. The percentage of participants declining by ≥1.5 standard deviations in ≥2 tests or ≥2 standard deviations in ≥1 tests was similar across groups. A global summary of cognitive change found no statistically significant worsening of cognitive function among ADT users compared with controls. Sensitivity analyses adjusting for duration of ADT and using multiple imputation for missing data did not materially alter the study findings.CONCLUSIONSThe ongoing use of ADT for up to 36 months does not appear to be associated with cognitive decline. Cancer 2017;123:237–244. © 2016 American Cancer Society.
Generation of 3D Collagen Gels with Controlled Diverse Architectures
Authors: Doyle Andrew D. 
Published: September 2016

AbstractRat tail collagen solutions have been used as polymerizable in vitro three dimensional (3D) extracellular matrix (ECM) gels for single and collective cell migration assays as well as spheroid formation. Factors such as ECM concentration, pH, ionic concentration, and temperature can alter collagen polymerization and ECM architecture. This unit describes how to generate 3D collagen gels that have distinct architectures ranging from a highly reticular meshwork of short thin fibrils with small pores to a loose matrix consisting of stiff, parallel‐bundled long fibrils by changing collagen polymerization temperature. This permits analysis of 3D cell migration in different ECM architectures found in vivo while maintaining a similar ECM concentration. Also included are collagen labeling techniques helpful for ECM visualization during live fluorescence imaging. © 2016 by John Wiley & Sons, Inc.
Subnanosecond Emission Dynamics of AT DNA Oligonucleotides
Authors: Skowron David J. , Zhang Yuyuan , Beckstead Ashley A. , Remington Jacob M. , Strawn Madison , Kohler Bern 
Published: September 2016

AbstractUV radiation creates excited electronic states in DNA that can decay to mutagenic photoproducts. When excited states return to the electronic ground state, photochemical injury is avoided. Understanding of the available relaxation pathways has advanced rapidly during the past decade, but there has been persistent uncertainty, and even controversy, over how to compare results from transient absorption and time‐resolved emission experiments. Here, emission from single‐ and double‐stranded AT DNA compounds excited at 265 nm was studied in aqueous solution using the time‐correlated single photon counting technique. There is quantitative agreement between the emission lifetimes ranging from 50 to 200 ps and ones measured in transient absorption experiments, demonstrating that both techniques probe the same excited states. The results indicate that excitations with lifetimes of more than a few picoseconds are weakly emissive excimer and charge transfer states. Only a minute fraction of excitations persist beyond 1 ns in AT DNA strands at room temperature.
Human Biomonitoring of DNA Adducts by Ion Trap Multistage Mass Spectrometry
Authors: Guo Jingshu , Turesky Robert J. 
Published: September 2016

AbstractHumans are continuously exposed to hazardous chemicals in the environment. These chemicals or their electrophilic metabolites can form adducts with genomic DNA, which can lead to mutations and the initiation of cancer. The identification of DNA adducts is required for understanding exposure and the etiological role of a genotoxic chemical in cancer risk. The analytical chemist is confronted with a great challenge because the levels of DNA adducts generally occur at <1 adduct per 107 nucleotides, and the amount of tissue available for measurement is limited. Ion trap mass spectrometry has emerged as an important technique to screen for DNA adducts because of the high level sensitivity and selectivity, particularly when employing multi‐stage scanning (MSn). The product ion spectra provide rich structural information and corroborate the adduct identities even at trace levels in human tissues. Ion trap technology represents a significant advance in measuring DNA adducts in humans. © 2016 by John Wiley & Sons, Inc.
Preparation of Intrastrand {G}O6‐Alkylene‐O6{G} Cross‐Linked Oligonucleotides
Authors: O'Flaherty Derek K. , Wilds Christopher J. 
Published: September 2016

AbstractThis unit describes the preparation O
6‐2′‐deoxyguanosine‐butylene‐O
6‐2′‐deoxyguanosine dimer phosphoramidites and precursors for incorporation of site‐specific intrastrand cross‐links (IaCL) into DNA oligonucleotides. Protected 2′‐deoxyguanosine dimers are produced using the Mitsunobu reaction. IaCL DNA containing the intradimer phosphodiester are first chemically phosphorylated, followed by a ring‐closing reaction using the condensing reagent 1‐(2‐mesitylenesulfonyl)‐3‐nitro‐1H‐1,2,4‐triazole. Phosphoramidites are incorporated into oligonucleotides by solid‐phase synthesis and standard deprotection and cleavage protocols are employed. This approach allows for the preparation of IaCL DNA substrates in amounts and purity amenable for biophysical characterization, and biochemical studies as substrates to investigate DNA repair and bypass pathways. © 2016 by John Wiley & Sons, Inc.
Bisulfite Sequence Analyses Using CyVerse Discovery Environment: From Mapping to DMRs
Authors: Song Jawon , Zynda Greg , Beck Samuel , Springer Nathan M. , Vaughn Matthew W. 
Published: September 2016

AbstractEpigenetic modification of DNA through methylation is known to be involved in multiple biological processes such as gene suppression. However, the exact mechanism of how DNA methylations play their part is yet unclear. In mammals, CpG islands (CGI) have been studied extensively for their involvement in cancer. Whereas in plants, despite the fact that there are not only CpG but also CHG and CHH contexts of methylation, an efficient and easy‐to‐use pipeline to decipher these phenomena is still to be developed. Both ZED‐align and BisuKit are user‐friendly apps deployed on CyVerse infrastructure where users can use their bisulfite sequence files to run multiple command line‐based packages with minimal intervention. © 2016 by John Wiley & Sons, Inc.
Cooperative Catalytic Effect of ZrO2 and α‐Fe2O3 Nanoparticles on BiVO4 Photoanodes for Enhanced Photoelectrochemical Water Splitting
Authors: Shaddad Maged N. , Ghanem Mohamed A. , Al‐Mayouf Abdullah M. , Gimenez Sixto , Bisquert Juan , Herraiz‐Cardona Isaac 
Published: September 2016

AbstractPhotoelectrochemical water splitting with metal oxide semiconductors offers a cost‐competitive alternative for the generation of solar fuels. Most of the materials studied so far suffer from poor charge‐transfer kinetics at the semiconductor/liquid interface, making compulsory the use of catalytic layers to overcome the large overpotentials required for the water oxidation reaction. Herein, we report a very soft electrolytic synthesis deposition method, which allows remarkably enhanced water oxidation kinetics of BiVO4 photoanodes by the sequential addition of Zr and Fe precursors. Upon a heat treatment cycle, these precursors are converted into monoclinic ZrO2 and α‐Fe2O3 nanoparticles, which mainly act as catalysts, leading to a five‐fold increase of the water oxidation photocurrent of BiVO4. This method provides a versatile platform that is easy to apply to different semiconductor materials, fully reproducible, and facile to scale‐up on large area conductive substrates with attractive implications for technological deployment.
Phylogenetic comparisons of pedestrian locomotion costs: confirmations and new insights
Authors: White Craig R. , Alton Lesley A. , Crispin Taryn S. , Halsey Lewis G. 
Published: September 2016

AbstractThe energetic costs for animals to locomote on land influence many aspects of their ecology. Size accounts for much of the among‐species variation in terrestrial transport costs, but species of similar body size can still exhibit severalfold differences in energy expenditure. We compiled measurements of the (mass‐specific) minimum cost of pedestrian transport (COTmin, mL/kg/m) for 201 species – by far the largest sample to date – and used phylogenetically informed comparative analyses to investigate possible eco‐evolutionary differences in COTmin between various groupings of those species. We investigated number of legs, ectothermy and endothermy, waddling, and nocturnality specifically in lizards. Thus, our study primarily revisited previous theories about variations in COTmin between species, testing them with much more robust analyses. Having accounted for mass, while residual COTmin did not differ between bipedal and other species, specifically waddling bipeds were found to have relatively high COTmin. Furthermore, nocturnal lizards have relatively low COTmin although temperature does not appear to affect COTmin in ectotherms. Previous studies examining across‐species variation in COTmin from a biomechanical perspective show that the differences between waddling birds and nonwaddling species, and between nocturnal lizards and other ecotherms, are likely to be attributable to differences in ground reaction forces, posture, and effective limb length.