bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Selenium‐Catalyzed Oxidative C(sp2)—H Amination of Alkenes Exemplified in the Expedient Synthesis of (Aza‐)Indoles.
Authors: Ortgies Stefan , Breder Alexander 
Published: October 2015

AbstractBoth ortho‐amino styrenes and vinylated aminopyridines are successfully used as substrates for the synthesis of a wide range of indoles and aza‐indoles, respectively.
ChemInform Abstract: Redox‐Neutral Palladium‐Catalyzed C—H Functionalization to Form Isoindolinones with Carboxylic Acids or Anhydrides as Readily Available Starting Materials.
Authors: Liang Hong‐Wen , Ding Wei , Jiang Kun , Shuai Li , Yuan Yi , Wei Ye , Chen Ying‐Chun 
Published: October 2015

AbstractMechanistic studies suggest that the title reaction involves C—H activation, nucleophilic addition, β‐O elimination, and dehydration steps.
ChemInform Abstract: Synthesis of 3‐Aryl‐6a‐methyl‐6‐nitro‐1‐phenylhexahydrothieno[2,3‐d]pyrazole 4,4‐Dioxides.
Authors: Berestovitskaya Valentina M. , Efremova Irina E. , Lapshina Lidiya V. , Serebryannikova Anna V. , Gurzhiy Vladislav V. , Abzianidze Victoria V. 
Published: October 2015

AbstractTitle compounds (III) are conveniently synthesized through a reaction consisting of two consequent Michael addition processes.
ChemInform Abstract: Sodium Sulfide: A Sustainable Solution for Unbalanced Redox Condensation Reaction Between o‐Nitroanilines and Alcohols Catalyzed by an Iron—Sulfur System.
Authors: Nguyen Thanh Binh , Ermolenko Ludmila , Al‐Mourabit Ali 
Published: October 2015

AbstractHydrated sodium sulfide plays a dual role as a precursor for the formation of the Fe/S redox catalyst, and as an external and noncompetitive, multi‐electron reducing agent.
ChemInform Abstract: Piperidine‐Mediated Annulation of 2‐Acylphenols with 4‐Nitrobenzaldehyde to 3‐Benzofuranones.
Authors: Verma Nishant , Kundi Varun , Ahmed Naseem 
Published: October 2015

AbstractWhereas the reaction between 2‐acylphenols and 4‐nitrobenzaldehydes yields 3‐benzofuranones, utilisation of 2‐nitrobenzaldehyde provides the corresponding flavone product.
ChemInform Abstract: Novozyme 435 Lipase Mediated Enantioselective Kinetic Resolution: A Facile Method for the Synthesis of Chiral Tetrahydroquinolin‐4‐ol and Tetrahydro‐1H‐benzo[b]azepin‐5‐ol Derivatives.
Authors: Zhou Xiaojian , Zheng Daijun , Cui Baodong , Han Wenyong , Chen Yongzheng 
Published: October 2015

AbstractThe practical and efficient method can be scaled up.
ChemInform Abstract: Hydroxyalkylation‐Initiated Radical Cyclization of N‐Allylbenzamide for Direct Construction of Isoquinolinone.
Authors: Zhou Wei , Ni Shengyang , Mei Haibo , Han Jianlin , Pan Yi 
Published: October 2015

Abstractinvolving a C(sp3)‐H bond cleavage, oxyalkylation of the double bond, and intramolecular cyclization
ChemInform Abstract: Enantioselective N‐Heterocyclic Carbene‐Catalyzed Synthesis of Indenopyrones.
Authors: Chen Kun‐Quan , Zhang Han‐Ming , Wang Dong‐Ling , Sun De‐Qun , Ye Song 
Published: October 2015

AbstractThe scalable [4 + 2] cyclization of α‐chloroaldehydes with arylidene indanones gives rise to cis‐indenopyrones in high yields and with excellent enantioselectivities.
ChemInform Abstract: Synthesis of 1,3,5‐Triazines via Cu(OAc)2‐Catalyzed Aerobic Oxidative Coupling of Alcohols and Amidine Hydrochlorides.
Authors: You Qing , Wang Fei , Wu Chaoting , Shi Tianchao , Min Dewen , Chen Huajun , Zhang Wu 
Published: October 2015

AbstractThe synthesis of 2,4,6‐trisubstituted 1,3,5‐triazines is performed starting from various aryl amidines including hetaryl amidines and benzylic or aliphatic alcohols as the one‐carbon supplier.
ChemInform Abstract: Cobalt Catalyzed Z‐Selective Hydroboration of Terminal Alkynes and Elucidation of the Origin of Selectivity.
Authors: Obligacion Jennifer V. , Neely Jamie M. , Yazdani Aliza N. , Pappas Iraklis , Chirik Paul J. 
Published: October 2015

AbstractAnti‐Markovnikov hydroboration of terminal alkynes in the presence of a bis(imino)pyridine cobalt catalyst affords (Z)‐vinylboronate esters.
ChemInform Abstract: Terpenoids from the Stems of Drypetes congestiflora
Authors: Chen Wen‐Hao , Han Chang‐Ri , Hui Yang , Zhang Da‐Shuai , Song Xin‐Ming , Chen Guang‐Ying , Song Xiao‐Ping 
Published: October 2015

Abstractisolation, structure elucidation and cytotoxicity of two new eremophilane‐type sesquiterpenoids (I), (II), a new friedelane‐type triterpenoid (III) along with six known triterpenoids
ChemInform Abstract: Cross‐Metathesis Reaction of α‐ and β‐Vinyl C‐Glycosides with Alkenes.
Authors: Snajdr Ivan , Parkan Kamil , Hessler Filip , Kotora Martin 
Published: October 2015

Abstractβ‐Anomeric derivatives react in a similar way with retention of configuration and E‐selectivity in similar yields.
ChemInform Abstract: Two Rare α‐Pyrone (=2H‐Pyran‐2‐one) Derivatives from Gentiana rhodantha Franchet
Authors: Yao Hai‐Qiong , Wu Li‐Hong , Chou Gui‐Xin , Liu Qing , Wang Zheng‐Tao 
Published: October 2015

Abstractisolation and structure determination of two new α‐pyrone derivatives, rhodanthpyrones A and B, along with fourteen known compounds
ChemInform Abstract: Biflavonoids, Lignans, and Related Compounds from the Roots of Diplomorpha canescens
Authors: Prasad Devkota Hari , Raj Joshi Khem , Watanabe Takashi , Yahara Shoji 
Published: October 2015

Abstractisolation and structure determination of two new biffaronoids (I) along with 16 known compounds
ChemInform Abstract: Oxygen‐Chelated Indenylidene Ruthenium Catalysts for Olefin Metathesis
Authors: Xie Yu , Yuan Ye , Mousavi Bibimaryam , Cai Yuan , Kai Cheng , Lu Yin , Yusubov Mehman , Verpoort Francis 
Published: October 2015

AbstractReview: [55 refs.
ChemInform Abstract: Toward Eco‐Friendly Green Organic Semiconductors: Recent Advances in Spiro[fluorene‐9,9′‐xanthene] (SFX)‐Based Optoelectronic Materials and Devices
Authors: Sun Mingli , Xu Ruochen , Xie Linghai , Wei Ying , Huang Wei 
Published: October 2015

AbstractReview: 73 refs.
A Convenient Surfactant‐Mediated Hydrothermal Approach to Control Supported Copper Oxide Species for Catalytic Upgrading of Glucose to Lactic Acid
Authors: Choudhary Hemant , Ebitani Kohki 
Published: October 2015

AbstractHerein, we discuss a convenient surfactant‐mediated hydrothermal approach to control supported copper oxide species in a highly reproducible way and investigate their effect on the catalytic upgrading of glucose to lactic acid. Careful characterization using XRD, Raman spectroscopy, and temperature programmed reduction (TPR) studies revealed paramelaconite (Cu4O3) loaded on MgO as the catalytically active species. It was also found that the cuprite (Cu2O) phase can be prepared in the presence of N,N‐dimethyldodecylamine N‐oxide (DDAO) while the tenorite (CuO) phase was obtained in the absence of surfactant. The use of cetyltrimethylammonium bromide (CTAB) selectively gave the Cu4O3 phase as the supported species. The above‐mentioned systematic approach demonstrates that substantial improvement in the catalytic activity (or other properties) can be achieved by careful selection of the synthetic conditions for generation of desired Cu species through a simple and inexpensive preparation route.
Cold Denaturation Unveiled: Molecular Mechanism of the Asymmetric Unfolding of Yeast Frataxin
Authors: Sanfelice Domenico , Morandi Edoardo , Pastore Annalisa , Niccolai Neri , Temussi Piero Andrea 
Published: October 2015

AbstractWhat is the mechanism that determines the denaturation of proteins at low temperatures, which is, by now, recognized as a fundamental property of all proteins? We present experimental evidence that clarifies the role of specific interactions that favor the entrance of water into the hydrophobic core, a mechanism originally proposed by Privalov but never proved experimentally. By using a combination of molecular dynamics simulation, molecular biology, and biophysics, we identified a cluster of negatively charged residues that represents a preferential gate for the entrance of water molecules into the core. Even single‐residue mutations in this cluster, from acidic to neutral residues, affect cold denaturation much more than heat denaturation, suppressing cold denaturation at temperatures above zero degrees. The molecular mechanism of the cold denaturation of yeast frataxin is intrinsically different from that of heat denaturation.
Convenient and Simple Esterification in Continuous‐Flow Systems using g‐DMAP
Authors: Okuno Yoshinori , Isomura Shigeki , Sugamata Anna , Tamahori Kaoru , Fukuhara Ami , Kashiwagi Miyu , Kitagawa Yuuichi , Kasai Emiri , Takeda Kazuyoshi 
Published: October 2015

AbstractThe utility and applicability of polyethylene‐g‐polyacrylic acid‐immobilized dimethylaminopyridine (g‐DMAP) as a catalyst in a continuous‐flow system were investigated for decarboxylative esterification. High catalytic activity toward acylation was provided by g‐DMAP containing a flexible grafted‐polymer structure. During decarboxylation, carboxylic acids and alcohols were converted cleanly using di‐tert‐butyl dicarbonate (Boc2O) as a coupling reagent, which reduced by‐products. In addition, the use of Boc2O resulted in the formation of tert‐butyl esters. These esterifications dramatically reduced the reaction time under continuous‐flow conditions, with a residence time of approximately 2 min. This highly efficient esterification procedure will provide more practical industrial applications.
Synthesis and Photophysical, Electrochemical and Theoretical Study of Thi­azole‐Annelated Phthalocyanines
Authors: Nečedová Mária , Magdolen Peter , Novakova Veronika , Cigáň Marek , Vlčková Silvia , Zahradník Pavol , Fülöpová Andrea 
Published: October 2015

AbstractPhthalocyanines with annelated thiazole rings were synthesised by cyclotetramerisation of benzothiazoledicarbonitriles. Three types of these dicarbonitriles with ortho‐configuration were prepared from disubstituted anilines and their cyclisation led to all possible patterns of annelation in the phthalocyanine skeleton. Further substitution at the periphery of the macrocycle by methyl or tert‐butyl substituents was realised to improve the solubility or to allow further derivatisation of target molecules. The characteristic UV/Vis spectral Q‐bands were shifted to higher wavelengths (712–729 nm) because of the higher delocalisation, and fluorescence quantum yields increased compared with isoelectronic naphthalocyanines. Aggregation properties of the studied phthalocyanines were dependent on the type of isomer. The effects of the annelation pattern on the redox potentials were also investigated. Experimental data are compared with theoretical values obtained by DFT calculations.
The state of the art in monitoring and geotechnical safety management for shallow and deep tunnels
Authors: Schubert Wulf , Moritz Bernd 
Published: October 2015

AbstractDue to uncertainties in the ground model and the spread of geotechnical properties, prediction of the exact system behaviour of underground structures is difficult in many cases. In order to manage this problem, the so‐called observational approach is often applied. Monitoring plays an important role to verify or falsify design assumptions, to adjust excavation and support measures to the actual conditions and to assess the stability of the system. For the management of the residual risk a geotechnical safety management plan is implemented. The OeGG has recently published a handbook summarizing the state of the art in tunnel monitoring and geotechnical safety management.
Rock mass classification and geotechnical model for the foundation of a RCC gravity dam
Authors: Pausz Sebastian , Nowotny Hans , Jung Gerald 
Published: October 2015

AbstractThe paper describes the development of a geological and geotechnical model produced for the design of a hydro power plant and its large RCC (roller compacted concrete) dam. Various in situ and laboratory investigation methods and rock mass classification were introduced for the definition of subsurface parameters and rock mass parameters were derived for design purposes. The mechanical parameters of the rock masses were the basic input for different finite element models that were used in order to evaluate the interacting static system of foundations and structures. The insights gained from this work were used to implement appropriate amendments to the design of the hydropower plant.
The Sydney North West Rail Link project tunnelling challenge with four double shield TBMs
Authors: Camus Thomas , Therville Fabrice 
Published: October 2015

AbstractNFM Technologies has designed and delivered four 6.99 m‐diameter Double Shield TBMs that are excavating the North West Rail Link project, an extension to the Sydney rapid transit network. The project is led by a consortium comprising Thiess, John Holland and Dragados, acting on behalf of the Government of New South Wales Transport Authority. Altogether, the TBMs will build 15 km of twin tunnels in rock that is mainly formed of abrasive sandstone. TBMs 1 and 2 bore the 9 km section between the Bella Vista and Cherrybrook stations, while the remaining 6 km from Cherrybrook to the Epping interchange are bored by TBMs 3 and 4.In this paper, we focus on the achieved performance of the 4 TBMs after approximately 50% completion. We analyse their variations in terms of excavation speed and consumption of disc cutters against the geology and geotechnical characteristics along the tunnel route. We discuss the overall production data and specific aspects of this hard rock urban tunnel project.
Optimization of structural contact stiffness and strength for discrete simulation of progressive failure of healed structure
Authors: Day Jennifer J. , Diederichs Mark S. , Hutchinson D. Jean 
Published: October 2015

AbstractGeotechnical analysis for underground excavation design in complex tectonic environments requires an increased understanding and more rigorous consideration of the impact of healed or "intrablock" structure, such as veins, on rockmass behaviour. Intrablock structure occurs between blocks of rock defined and bounded by "interblock structure", the network of joints and other fractures conventionally considered in classic rockmass characterization, classification or rockmass property estimation. Discrete simulation of fractures has become a more commonplace model analysis technique for excavations in jointed rockmasses. Here too, however, special attention is required to simulate intrablock structure within the model. In particular, the selection and evolution of stiffness and strength values for the model discontinuity elements must follow a different logic than that adopted for fractures and true joints. A new concept to better represent the behaviour of intrablock structure in explicit numerical models is proposed and tested in this paper by means of finite element method (FEM) analysis and case study data from a 1, 200 m deep drift. This approach changes the stiffness and strength values of failed intrablock structural elements between pre‐peak ("primary"), post‐peak ("secondary"), and ultimate ("tertiary") states. The FEM models in the tertiary state match 96 % of overbreak patterns along the case drift, versus 80 % in primary state models. These findings suggest that the proposed method is a good option to more accurately model the influence of intrablock structure on rockmass behaviour.
Valhalla – Innovative pumped hydro storage facilities in Chile: Challenges from a rock mechanical point of view
Authors: Marcher Thomas , Bauer Steffen , Allende Marcos , Mathiesen Carlos 
Published: October 2015

AbstractThis paper presents a unique pumped hydro storage facility using the ocean as a lower reservoir, combined with solar photovoltaic to create consistent, clean power. This project will allow for large‐scale renewable energy adoption in Chile. The country's Atacama Desert has one of the best solar resources of the world. Unfortunately, the electricity grid in that northern region has one of the highest carbon footprints in the world because almost all of the electricity generation comes from fossil fuel power plants. Nearly 90 % of the demand on that northern grid is from mining companies. Their operations' energy needs are high and constant – day and night, and as a result the mining companies will not assume the intermittency risk of renewable energy resources. Until now, solar and wind developers have only been able to offer intermittent solutions and, therefore, have been unable to sign major power purchase agreements.
Understanding the rates of nonpolar organic chemical accumulation into passive samplers deployed in the environment: Guidance for passive sampler deployments
Authors: Apell Jennifer N , Tcaciuc A Patricia , Gschwend Philip M 
Published: October 2015

Abstract
Polymeric passive samplers have become a common method for estimating freely dissolved concentrations in environmental media. However, this approach has not yet been adopted by investigators conducting remedial investigations of contaminated environmental sites. Successful adoption of this sampling methodology relies on an understanding of how passive samplers accumulate chemical mass as well as developing guidance for the design and deployment of passive samplers. Herein, we outline the development of a simple mathematical relationship of the environmental, polymer, and chemical properties that control the uptake rate. This relationship, called a timescale, is then used to illustrate how each property controls the rate of equilibration in samplers deployed in the water or in the sediment. Guidance is also given on how to use the timescales to select an appropriate polymer, deployment time, and suite of performance reference compounds. Integr Environ Assess Manag 2016;12:486–492. © 2015 SETAC
Key Points
When the accumulation of hydrophobic nonpolar organic chemicals is controlled by diffusion through the environment, which is true for most chemicals currently sampled with this method, the transfer kinetics can be described by a simplified timescale. For many passive sampler deployments in the water column or sediment bed, performance reference compounds (PRCs) are necessary to adjust measured polymer concentrations of nonpolar organic chemicals to their equilibrium concentration.
Retraction: Environmental risk assessment of human pharmaceuticals: Regulatory developments
Authors: Gross Melanie , Leverett Dean , Merrington Graham , Taylor David 
Published: October 2015

This article was published online on 1 October 2015, on Wiley Online Library (wileyonlinelibrary.com). The article has been withdrawn by agreement between the authors, the journal Editor-in-Chief, the Society of Environmental Toxicology and Chemistry, and Wiley Periodicals, Inc. The authors initiated the withdrawal on their accord after consideration of regulatory analysis and conclusions appearing in the article, which the authors felt required substantial revision to incorporate new and important regulatory developments not addressed in the article.
Reference
Gross M, Leverett D, Merrington G, Taylor D. Environmental risk assessment of human pharmaceuticals: Regulatory developments. Integr Environ Assess Manag DOI: 10.1002/ieam.1699
Predicting toxicity to Hyalella azteca in pyrogenic-impacted sediments—Do we need to analyze for all 34 PAHs?
Authors: Geiger Stephen C , Azzolina Nicholas A , Nakles David V , Hawthorne Steven B 
Published: October 2015

Abstract
Polycyclic aromatic hydrocarbons (PAHs) are major drivers of risk at many urban and/or industrialized sediment sites. The US Environmental Protection Agency (USEPA) currently recommends using measurements of 18 parent + 16 groups of alkylated PAHs (PAH-34) to assess the potential for sediment-bound PAHs to impact benthic organisms at these sites. ASTM Method D7363-13 was developed to directly measure low-level sediment porewater PAH concentrations. These concentrations are then compared to ambient water criteria (final chronic values [FCVs]) to assess the potential for impact to benthic organisms. The interlaboratory validation study that was used to finalize ASTM D7363-13 was developed using 24 of the 2-, 3-, and 4-ring PAHs (PAH-24) that are included in the USEPA PAH-34 analyte list. However, it is the responsibility of the user of ASTM Method D7363 to establish a test method to quantify the remaining 10 higher molecular weight PAHs that make up PAH-34. These higher molecular weight PAHs exhibit extremely low saturation solubilities that make their detection difficult in porewater, which has proven difficult to implement in a contract laboratory setting. As a result, commercial laboratories are hesitant to conduct the method on the entire PAH-34 analyte list. This article presents a statistical comparison of the ability of the PAH-24 and PAH-34 porewater results to predict survival of the freshwater amphipod Hyalella azteca, using the original 269 sediment samples used to gain ASTM D7363 Method approval. The statistical analysis shows that the PAH-24 are statistically indistinguishable from the PAH-34 for predicting toxicity. These results indicate that the analysis of freely dissolved porewater PAH-24 is sufficient for making risk-based decisions based on benthic invertebrate toxicity (survival and growth). This reduced target analyte list should result in a cost-saving for stakeholders and broader implementation of the method at PAH-impacted sediment sites. Integr Environ Assess Manag 2016;12:493–499. © 2015 SETAC
Key Points
Toxicity of PAHs in sediments can be determined using 24 PAHs. Analysis of 24 parent + alkylated PAHs will save laboratory time and costs. Analyses of PAH-24 parent + alkylated PAHs will save site-owner costs.
A tiered, integrated biological and chemical monitoring framework for contaminants of emerging concern in aquatic ecosystems
Authors: Maruya Keith A , Dodder Nathan G , Mehinto Alvine C , Denslow Nancy D , Schlenk Daniel , Snyder Shane A , Weisberg Stephen B 
Published: October 2015

Abstract
The chemical-specific risk-based paradigm that informs monitoring and assessment of environmental contaminants does not apply well to the many thousands of new chemicals that are being introduced into ambient receiving waters. We propose a tiered framework that incorporates bioanalytical screening tools and diagnostic nontargeted chemical analysis to more effectively monitor for contaminants of emerging concern (CECs). The framework is based on a comprehensive battery of in vitro bioassays to first screen for a broad spectrum of CECs and nontargeted analytical methods to identify bioactive contaminants missed by the currently favored targeted analyses. Water quality managers in California have embraced this strategy with plans to further develop and test this framework in regional and statewide pilot studies on waterbodies that receive discharge from municipal wastewater treatment plants and stormwater runoff. In addition to directly informing decisions, the data obtained using this framework can be used to construct and validate models that better predict CEC occurrence and toxicity. The adaptive interplay among screening results, diagnostic assessment and predictive modeling will allow managers to make decisions based on the most current and relevant information, instead of extrapolating from parameters with questionable linkage to CEC impacts. Integr Environ Assess Manag 2016;12:540–547. © 2015 SETAC
Key Points
High throughput in vitro bioassays are being adapted to screen for water quality. Nontargeted analysis broadens the scope of chemicals that deserve prioritization for monitoring. Integration of in vitro screening bioassays and diagnostic nontargeted analysis will improve monitoring and assessment of contaminants in receiving waters.