bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: A NEW EDTA‐TYPE REAGENT. PART 3. SYNTHESIS AND PHYSICO‐CHEMICAL STUDY OF 4,4′‐DIAMINO‐DIPHENYLMETHANE‐N,N′‐TETRAACETIC ACID
Authors: MARAROVICI C. GH. , GHIS E.
Published: April 2016

Durch Umsetzung von 4,4′‐Diaminodiphenylmethan (I) mit chloressigsaurem und bromessigsaurem Natrium (II) bzw. (IV) wird stufenweise die Tetracarbonsäure (V) bzw. deren Natriumsalz hergestellt.
ChemInform Abstract: TERTIARY AMINE OXIDES AS PHASE TRANSFER CATALYSTS FOR SUBSTITUTION AND DICHLOROCYCLOPROPANATION REACTIONS
Authors: GARCIA B. J. , LEOPOLD A. , GOKEL G. W.
Published: April 2016

Die Umsetzung von Benzylchlorid (I) mit Kaliumacetat (II) zum Benzylacetat (III) und die Cyclopropanierung von Styrol (IV) mit Chloroform (V) zum Cyclopropan (VI) bzw. durch Umsetzung von Diphenyldiazomethan (VII) zu (VI) und (VIII) wird in Gegenwart von Amin‐N‐oxiden, z.B. (IX), als Phasen‐Transfer‐Katalysator untersucht.
ChemInform Abstract: 1,2‐ENDO‐TRIMETHYLENENORBORNANE. A NOVEL ISOMER OF ADAMANTANE
Authors: JAEGGI F. J. + , GANTER C.
Published: April 2016

Das aus Nacyclopentadienid und 5‐Brompentin‐(l) erhaltene Gemisch der Pentinylcyclopentadiene (I) cyclisiert bei 200°C in Tributylamin zu dem Trimethylennorbornadien (II).
ChemInform Abstract: A CONVENIENT PREPARATION OF ARYL TRIFLUOROMETHYL KETONES
Authors: DIMENNA W. S.
Published: April 2016

Durch Umsetzung mit Trifluor‐dimethylacetamid (II) erhält man aus heterocyclischen Li‐Verbindungen (b‐Reihe) die Trifluoracetylverbindungen (c‐Reihe) in guten Ausbeuten.
ChemInform Abstract: SYNTHESIS OF DITHIAZOLOBENZOBISIMIDAZOLEDIONES FROM CHLORANIL AND 2‐AMINOTHIAZOLES
Authors: SONI R. P. , SAXENA J. P.
Published: April 2016

Die Aminothiazole (I) kondensieren mit Chloranil (II) bei 20°C zu den Dithiazolylderivaten (III); beim Kochen in Eisessig oder EtOH werden die E‐ bzw. Z‐konfigurierten pentacyclischen Verbindungen (IV) bzw. (V) erhalten.
ChemInform Abstract: NOVEL HETEROCYCLIC SYSTEMS. PART 4. A SIMPLE, CONVENIENT SYNTHESIS OF 3‐HYDROXYPYRIDINE‐2‐THIONE, AND THE PREPARATION OF TWO NOVEL TRICYCLIC BETAINES
Authors: DAVIES J. S. , SMITH K. , TURNER J.
Published: April 2016

3‐Hydroxy‐ 2‐pyridon (I) reagiert mit Schwefelpentasulfid zum Z‐Thion (II) neben den beiden Betainen (III) und (IV).‐Das lineare Produkt (V) wird nicht gebildet.
ChemInform Abstract: THE REACTIONS OF 2‐ALKYNYLBENZALDEHYDES WITH HYDRAZIDES: A ROUTE TO ISOQUINOLINE N‐IMINES
Authors: ANDERSON P. N. , SHARP J. T.
Published: April 2016

Die Alkinylbenzaldehyde (I) werden unter Lichtausschluß mit den Hydraziden (II) zu den Hydrazonen (III) kondensiert.
ChemInform Abstract: INTRAMOLECULAR DIELS‐ALDER ADDITIONS. 3. ADDITIONS TO ISOINDOLE
Authors: CIGANEK E.
Published: April 2016

N‐Pentenylphthalimid (I) wird zum Isoindol (II) reduziert, das sich reversibel zum Derivat (III) cyclisieren läßt. Als Nebenprodukte entstehen die Verbindungen (IV) und (V).
ChemInform Abstract: STUDIES ON THE REACTIVITY OF 2‐METHYL‐3‐PHENYL‐4(3H)‐QUINAZOLINONE
Authors: KIRMANI M. Z. , AHMED S. R.
Published: April 2016

Die Titelverbindung (II) reagiert mit Paraformaldehyd und Piperidin zu der Mannichbase (I) und liefert mit Acrylnitril in Gegenwart von Na‐t‐butoxid in DMF durch Michael‐Addition das Derivat (III).
ChemInform Abstract: NEW SYNTHESIS OF 1,5‐DIAZABICYCLO(4.4.0)DECANES
Authors: RICART G. , COUTURIER D.
Published: April 2016

Das aus dem Hydroxypentylamin (I) durch Cyanethylierung und Hydrierung hergestellte Hydroxypentyldiamin (IV) und das aus diesem Diamin durch Umsetzung mit Acetaldehyd und weitere Hydrierung gebildete N‐Ethylderivat (VIII) cyclisieren beim Erhitzen mit alkalischem Raney‐Nickel in siedendem Toluol zu Diazabicyclodecanen (V) und (IX).
ChemInform Abstract: SYNTHESIS OF POTENTIAL INHIBITORS OF HYPOXANTHINE‐GUANINE PHOSPHORIBOSYLTRANSFERASE FOR TESTING AS ANTIPROTOZOAL AGENTS. 1. 7‐SUBSTITUTED 6‐OXOPURINES
Authors: PIPER J. R. , LASETER A. G. , MONTGOMERY J. A.
Published: April 2016

Ausgehend von dem Chlorid (I) bzw. dem Azid (V) werden die Guanine (IV) und (VII) dargestellt.
ChemInform Abstract: FORMATION OF α‐MONOHALOSILANE CARBENOIDS
Authors: VILLIERAS J. , RAMBAUD M. , KIRSCHLEGER B. , TARHOUNI R.
Published: April 2016

sek.‐Butyl‐lithium (I) reagiert mit Dihalogenalkylsilanen (II) bzw. (VI) zu den entsprechenden Carbenoiden (III) und (VII), die in guten Ausbeuten erhalten werden.
ChemInform Abstract: SYNTHESIS AND ANTITUMOR ACTIVITY OF CYCLOPHOSPHAMIDE ANALOGS. 3. PREPARATION, , MOLECULAR STRUCTURE DETERMINATION, AND ANTICANCER SCREENING OF RACEMIC CIS‐ AND TRANS‐4‐PHENYLCYCLOPHOSPHAMIDE
Authors: BOYD V. L. , ZON G. , HIMES V. L. , STALICK J. K. , MIGHELL A. D. , SECOR H. V.
Published: April 2016

Die Umsetzung des Ketoesters (I) mit O‐Methylhydroxylaminhydrochlorid (II) ergibt den Oximether (III), der zum Amin (IV) reduziert wird.
ChemInform Abstract: REACTIONS OF ZIRCONIUM(IV) ISOPROPOXIDE WITH ALIPHATIC AND AROMATIC HYDROXY ESTERS. PART I. FIVE‐, SIX‐, SEVEN‐ AND EIGHT‐COORDINATED ZIRCONIUM(IV) COMPLEXES
Authors: PAL M. , KAPOOR R. N.
Published: April 2016

Die Reaktionen von Zr‐isopropoxid (I) mit den Hydroxyestern (II) und (IV) in siedendem Benzol werden in verschiedenen molaren Verhältnissen untersucht.
ChemInform Abstract: PREPARATION, REACTIONS AND SPECTROSCOPIC STUDIES OF SOME NEW ORGANOSILICON AND ORGANOTIN DERIVATIVES OF AMINE‐OXIMES
Authors: KOTHIWAL A. S. , SINGH A. , RAI A. K. , MEHROTHA R. C.
Published: April 2016

Durch Umsetzung der Acetophenonoxime (I) mit Trimethylzinnhydroxid oder Trimethylzinnchlorid (II) oder mit dem Isoprope oxystannan (IV) werden die Oximderivate (III) und (V) synthetisiert.
ChemInform Abstract: FURTHER EXAMPLES OF DINUCLEAR MOLYBDENUM(II) COMPLEXES CONTAINING NITROGEN LIGANDS
Authors: EDWARDS D. A. , UDEN G. , MIALKI W. S. , WALTON R. A.
Published: April 2016

Die Reaktion von (NH4)5 Mo2Cl9 ‐ H2O mit den potentiell brückenbildenden N‐Liganden Pyrazin und 2,6‐Dimethylpyrazin liefert die Komplexe (I) und (II).
ChemInform Abstract: HETEROPOLY MOLYBDATE COMPLEXES OF FLAVIN MONONUCLEOTIDE AND SOME OTHER PHOSPHATE ESTERS
Authors: KATSOULIS D. E. , LAMBRIANIDOU A. N. , POPE M. T.
Published: April 2016

Die stöchiometrische Umsetzung von Na‐molybdat mit den Phosphatestern β‐Glycerinphosphat, Riboflavin‐5′‐phosphat, Adenosin‐5′‐monophosphat und Uridin‐5′‐monophosphat bei pH 3‐4 führt zu den als K‐, Cs‐ oder Guanidinium‐Salze isolierten Komplexen (I) (keine Ausb.‐Angabe).
ChemInform Abstract: THE SYNTHESIS AND CHARACTERIZATION OF MONO‐ AND DINUCLEAR COBALOXIME SELENOCYANATE AND THIOCYANATE COMPLEXES CONTAINING PHOSPHINES, ARSINES AND STIBINES
Authors: ARTZ R. S. , BURMEISTER J. L.
Published: April 2016

Die Reaktion der trans‐Komplexe (I) mit Thio‐ oder Selenocyanat führt in hoch dielektrischen Lösungsmitteln wie Methanol zu den einkernigen Komplexen (II), in niedrig dielektrischen Lösungsmitteln dagegen zu den zweikernigen Komplexen (III).
ChemInform Abstract: CHEMISTRY OF PYRROLIC COMPOUNDS. PART 45. HAEMATOPORPHYRIN DERIVATIVE: HAEMATOPORPHYRIN DIACETATE AS THE MAIN PRODUCT OF THE REACTION OF HAEMATOPORPHYRIN WITH A MIXTURE OF ACETIC AND SULFURIC ACIDS
Authors: CLEZY P. S. , TON THAT HAI TON THAT HAI , HENDERSON R. W. , LE VAN THUC LE VAN THUC
Published: April 2016

Hämatoporphyrin (Ib), das durch Hydrolyse des aus käuflichem (Ib) dargestellten Dimethylesters (Ia) in reiner Form gewonnen wird, liefert bei der Behandlung mit Essigsäure/Schwefelsäure ein komplexes Gemisch vonPorphyrinen, ausdem nach Veresterung mit Diazomethan als Hauptkomponente das Diacetat (II) sowie daneben die Verbindungen (III) isoliert werden.
ChemInform Abstract: SYNTHESIS OF 6‐(P‐TOLYL)‐1‐HEPTENE
Authors: VIG O. P. , TREHAN I. R. , KUMAR S. D. , VIG R.
Published: April 2016

Die Synthese der Titelverbindung (VI), eines Norsesquiterpens aus Senecio digitalifolius, erfolgt ausgehend vom Diester (I), der partiell zum Säureester (II) hydrolysiert wird.
ChemInform Abstract: ON THE MEMORY OF SYNTHESIZED VINYL POLYMERS FOR THEIR ORIGINS
Authors: DAMEN J. , NECKERS D. C.
Published: April 2016

Aus dem geschützten L‐Prolin (Ib) erhält man mit chlormethylierten Styrolen (II) die Ester (III), die mit Styrol (IV) und Divinylbenzolen (V) der Copolymerisation unterworfen werden.
ChemInform Abstract: STRUCTURAL MODIFICATIONS OF VITAMIN D3. PART 5. 9,10‐SECOCHOLESTA‐(5Z)‐5,8(14),10(19)‐TRIENE‐3β‐OL AND 18‐NOR‐14β‐METHYL‐9,10‐SECOCHOLESTA‐(5E)‐5,10(19),13(17)‐TRIEN‐3β‐OL, TWO NEW DOUBLE BOND ISOMERS OF VITAMIN D3
Authors: REISCHL W. , ZBIRAL E.
Published: April 2016

Die Einwirkung von BF3 als Etheraddukt auf die Triazindion‐Addukte (I) des Vitamin D3 bewirkt Isomerisierung zu einem Gemisch aus den Verbindungen (II) und (III) mit einer Gesamtausb.
ChemInform Abstract: SYNTHESIS OF 26,26,26,27,27,27‐HEXAFLUORO‐25‐HYDROXYVITAMIN D3
Authors: KOBAYASHI K. , TAGUCHI T. , KANNMA N. , IKEKAWA N. , OSHIDA J.
Published: April 2016

Aus dem Tosylat (Ia) entsteht mit Lithiumbromid das Bromid (Ib), das mit aktiviertem Magnesium und anschließend mit Hexafluoraceton zum Alkohol (II) führt.
ChemInform Abstract: SYNTHESIS OF OLIVANIC ACID ANALOGS. PREPARATION OF 7‐OXO‐1‐AZABICYCLO(3.2.0)HEPT‐2‐ENE‐2‐CARBOXYLATES CONTAINING THE 3‐(2‐ACETAMIDOETHENYLTHIO) SIDE CHAIN
Authors: BAXTER A. J. G. , PONSFORD R. J. , SOUTHGATE R.
Published: April 2016

Über die Schlüsselverbindungen (VIb) und (IX), von denen (IX) gemäß Formelschema auf 2 Wegen zugänglich ist, werden die Analoga (XIII) des natürlichen Antibioticums MM 13902 (I) dargestellt.
ChemInform Abstract: A STEREOCONTROLLED SYNTHETIC ENTRY TO THE PRIMARY PROSTAGLANDINS FROM BUTADIENE. OXY ANIONIC SUBSTITUENT EFFECTS ON (1,5)‐HYDROGEN SIGMATROPY
Authors: PAQUETTE L. A. , CROUSE G. D. , SHARMA A. K.
Published: April 2016

Das Cyclononatrienol (I), das aus Butadien durch Cyclodimerisierung nach bekannten Verfahren zugänglich ist, bildet, anders als bei der thermischen Umlagerung zu (IIa) (Ausb. 20%) und cis,cis‐Cyclononadienon‐(3,7) (80%), in THF mit KH bei Zimmertemperatur ausschließlich den Aldehyd (IIa).
Pancreas‐Specific Delivery of β‐Cell Proliferating Small Molecules
Authors: Hao Xueshi , Jin Qihui , Va Porino , Li Chun , Shen Weijun , Laffitte Bryan , Wu Tom Y.‐H.
Published: April 2016

Our research groups recently described a series of small‐molecule inducers of β‐cell proliferation that could be used to increase β‐cell mass. To mitigate the risk of nonspecific proliferation of other cell types, we devised a delivery strategy built on the tissue specificity observed in the experimental β‐cell imaging agent (+)‐dihydrotetrabenazine (DTBZ). The β‐cell proliferator agent aminopyrazine (AP) was covalently linked with (+)‐DTBZ to afford conjugates that retain both the proliferation activity and binding affinity for vesicular monoamine transporter‐2 (VMAT2). In vivo mouse tissue distribution studies of a prototypical AP–DTBZ conjugate showed 15‐fold pancreas exposure over plasma. Tissue‐to‐plasma ratios in liver and kidneys were two‐ and five‐fold, respectively. This work is the first demonstration of enhanced delivery of β‐cell‐proliferating molecules to the pancreas by leveraging the intrinsic tissue specificity of a β‐cell imaging agent.
Enhancing access in medical and health science programs: The college model
Authors: Blacklock Barbara
Published: April 2016

Creating access for medical students and students in other graduate health science programs can be both challenging and stimulating. Campuses with health science programs are seeing an increase in the enrollment of qualified students with disabilities. It is important to proactively reach out to these programs to evaluate access and create collaborative relationships that can facilitate enhanced access instead of waiting and addressing individual accommodation needs as they emerge.
Negative plant‐soil feedbacks increase with plant abundance, and are unchanged by competition
Authors: Maron John L. , Laney Smith Alyssa , Ortega Yvette K. , Pearson Dean E. , Callaway Ragan M.
Published: April 2016

Plant‐soil feedbacks and interspecific competition are ubiquitous interactions that strongly influence the performance of plants. Yet few studies have examined whether the strength of these interactions corresponds with the abundance of plant species in the field, or whether feedbacks and competition interact in ways that either ameliorate or exacerbate their effects in isolation. We sampled soil from two intermountain grassland communities where we also measured the relative abundance of plant species. In greenhouse experiments, we quantified the direction and magnitude of plant‐soil feedbacks for 10 target species that spanned a range of abundances in the field. In soil from both sites, plant‐soil feedbacks were mostly negative, with more abundant species suffering greater negative feedbacks than rare species. In contrast, the average response to competition for each species was unrelated with its abundance in the field. We also determined how competitive response varied among our target species when plants competed in live vs. sterile soil. Interspecific competition reduced plant size, but the strength of this negative effect was unchanged by plant‐soil feedbacks. Finally, when plants competed interspecifically, we asked how conspecific‐trained, heterospecific‐trained, and sterile soil influenced the competitive responses of our target species and how this varied depending on whether target species were abundant or rare in the field. Here, we found that both abundant and rare species were not as harmed by competition when they grew in heterospecific‐trained soil compared to when they grew in conspecific‐cultured soil. Abundant species were also not as harmed by competition when growing in sterile vs. conspecific‐trained soil, but this was not the case for rare species. Our results suggest that abundant plants accrue species‐specific soil pathogens to a greater extent than rare species. Thus, negative feedbacks may be critical for preventing abundant species from becoming even more abundant than rare species.
Dirtying Linen: Re‐evaluating the sustainability of domestic laundry
Authors: Yates Luke , Evans David
Published: April 2016

In tackling and negotiating responsibility for anthropogenic climate change, governments and businesses are increasingly concerned with shaping ‘consumer behaviour’, understood broadly as the ways in which people acquire, appropriate and appreciate goods and services. One intervention considered successful in this respect has been that of encouraging the low‐temperature washing of laundry in the UK in the last decade. This paper draws on data from a quantitative survey of laundry practices conducted in Britain in 2013 (N = 1502) in order to situate the intervention, and the phenomenon of low‐temperature washing, in its wider socio‐cultural context. Our starting point is that laundry habits are a useful example of a household practice in which changes in consumer behaviour have occurred, yet which continue to be increasingly environmentally problematic. Our analysis examines the use of washing machines and the temperature at which people do their laundry in detail; however, it also explores the broader processes through which clothing and other items become designated ‘dirty’ and go on to become ‘clean’. We argue that, in contrast to the well‐documented hegemonic position of the washing machine in UK homes, there is much diversity in how households organize the other tasks involved in doing laundry, particularly in separating, sorting and drying, with important implications for energy use. To conclude, we reconsider low‐temperature washing as an intervention, and outline some policy implications of a more thorough understanding of how laundry, and domestic consumption more generally, is currently handled in the UK. © 2016 The Authors. Environmental Policy and Governance published by ERP Environment and John Wiley & Sons Ltd
Elusive Practices: Considerations on limits and possibilities of environmental policy for sustainable consumption
Authors: John René , Jaeger‐Erben Melanie , Rückert‐John Jana
Published: April 2016

The Earth Summit on Sustainable Development in 1992 brought about a fundamental shift in the mandate of environmental policy. How to protect the environment and nature from citizens was no longer the main issue. Rather, the focus was how to organize majorities among citizens for a collective effort on a societal transformation towards sustainability. The environmental effects of citizens’ everyday routines of consumption came into focus and ways of influencing them were sought. In this paper, one of the strategies German environmental policy employs for observing the everyday consumption of citizens is analyzed. How this approach has evolved during the last decades will be shown, as well as shortcomings of the current approach. Drawing on considerations from theories of social practice, three kinds of reason for these shortcomings are discussed. The first one lies in an ambivalent (or paradoxical) relation of environmental policy‐makers to consumers’ ‘rationality’. The second reason is related to the first and refers to the different horizons of consumers’ everyday practices and practices of environmental policy. The third reason is rooted in the excessive and unrealistic demand on environmental policy that accompanies the sustainability mandate. The paper concludes by suggesting a social innovation‐oriented policy as a way of connecting political goals to actual changes in consumption practices. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
Cyclopentadienyl–Silsesquioxane Titanium Catalysts: Factors Affecting Their Formation and Activity in Olefin Epoxidation with Aqueous Hydrogen Peroxide
Authors: Ventura María , Tabernero Vanessa , Cuenca Tomás , Royo Beatriz , Jiménez Gerardo
Published: April 2016

The reaction of titanium chlorosilyl‐substituted cyclopentadienyl (Cp) complexes, Ti(η5‐C5H3R′SiMe2Cl)Cl3 (R′ = H, 1b; SiMe3, 1c), with 1 equiv. of various silsesquioxane trisilanols, R7Si7O9(OH)3 (R = iBu, 2a; Ph, 2b), affords either corner‐capped Cp derivatives, Ti(η5‐C5H3R′SiMe2Cl)(R7Si7O12‐κ3O3) (R′ = H, R = iBu, 5a, Ph, 5b; R′ = SiMe3, R = iBu, 7a, Ph, 7b), or cyclopentadienyl–silsesquioxane complexes, Ti(η5‐C5H4SiMe2OR7Si7O11‐κ2O2)Cl (R′ = H, R = iBu, 6a, Ph, 6b; R′ = SiMe3, R = iBu, 8a, Ph, 8b), depending on the reaction conditions. In any case, upon heating, kinetic products 5 and 7 are transformed into the corresponding thermodynamic products 6 and 8, respectively. The electron‐donating ability of the Cp ring is a relevant controlling parameter: a strong π‐donor character facilitates the isomerization process. In addition, the nature of the silicon substituents in the silsesquioxane framework, the type of solvent, and the reaction temperature are also factors that significantly affect this process. Cyclopentadienyl–silsesquioxane complexes 6b and 8b are efficient and selective catalysts for epoxidation with aqueous hydrogen peroxide under mild conditions. Such a catalytic efficiency is attributed to the hydrophobic environment generated about the titanium atom by the Cp ring incorporated into the cyclopentadienyl–silsesquioxane ligand.
Stereoselective P‐Cyclisation and ­Diastereoisomeric Purification of 5‐Phenyl‐3‐(pyridin‐2‐yl)‐1,3,2‐oxazaphospholidine Formed from a Thermolabile Protecting Group
Authors: Kaczyński Tomasz P. , Manszewski Tomasz , Chmielewski Marcin K.
Published: April 2016

A one‐pot, two‐step synthesis of 5‐phenyl‐3‐(pyridin‐2‐yl)‐1,3,2‐oxazaphospholidine from linear precursor bis(diisopropylamino){2‐[(pyridin‐2‐yl)amino]‐1‐phenylethoxy}phosphine is achieved using a stereoselective intramolecular cyclisation. Application of a pure enantiomer {1‐phenyl‐2‐[(pyridin‐2‐yl)amino]ethanol} enabled partial diastereopurification by crystallisation. For all four diastereoisomers, the absolute configuration of the P‐centre was determined using X‐ray crystallography and correlative 31P NMR data. Stereochemically pure 5a was then used in nucleoside phosphitylation reactions with partial loss of stereopurity by retention of configuration on the phosphorus centre.
Laboratory and computer simulations of reinforced concrete frames with different ductility
Authors: Galanis Panagiotis , Shin Yoon Bong , Moehle Jack P.
Published: April 2016

Reinforced concrete structures that lack proper seismic detailing commonly have increased vulnerability to collapse during strong earthquake shaking. A major contributor to building collapse vulnerability is the prevalence of columns with widely spaced and poorly configured transverse reinforcement. Such columns are susceptible to shear failures, which can lead to axial failures and local or global building collapse. This study presents a laboratory test program that was designed to gain insight into the effects of column detailing on the dynamic response including collapse of concrete frames. Twelve concrete frames were tested on a shaking table and were subjected to two types of ground motions: one relatively short‐duration motion with strong velocity pulse and one relatively long‐duration motion with multiple cycles. The study also evaluates the effectiveness of modern analytical methods to simulate the nonlinear dynamic response of concrete structures. Two lumped plasticity models employing nonlinear rotational and shear springs at the column ends were used to simulate the collapse response of the tested specimens.

The study demonstrates that modern analytical techniques can simulate reliably the nonlinear dynamic response of concrete structures in the post‐yielding stage and can identify the onset of shear failure and collapse of concrete frames. However, in the majority of cases, the analytical models overestimated the effects of damage accumulation, especially for long‐duration motions. Response predictions were improved by adjusting the damage modeling parameters. Copyright © 2016 John Wiley & Sons, Ltd.
Seismic performance of a steel moment frame subassembly tested from the onset of damage through collapse
Authors: Del Carpio R. Maikol , Mosqueda Gilberto , Lignos Dimitrios G.
Published: April 2016

A series of seismic tests were conducted on a 1½‐bay by 1½‐story special steel moment‐resisting frame subassembly from the onset of damage through incipient collapse. These tests were conducted using hybrid simulation with substructuring as a mean to demonstrate efficient testing methods for system‐level collapse assessment of large‐scale structural subassemblies. The ½‐scale specimen was designed to capture the behavior and interactions of beams, columns, panel zones, and composite floor slab. The experimental test setup permitted the application of lateral as well as varying vertical forces on the test specimen while maintaining realistic boundary conditions on the subassembly. With the overarching objective to advance knowledge on the collapse assessment of frame structures under earthquake loading, this paper focuses on the seismic performance of a steel moment‐resisting frame through collapse. The failure mechanisms of the test frame are described and compared with numerical simulations based on state‐of‐the‐art modeling approaches. Copyright © 2016 John Wiley & Sons, Ltd.
Renewable energy auctions in South Africa outshine feed‐in tariffs
Authors: Eberhard Anton , Kåberger Tomas
Published: April 2016

South Africa's Renewable Energy Independent Power Producer Procurement Program has run four competitive tenders/auctions since 2011, which have seen US$19 billion in private investment, and electricity prices of wind power falling by 46% and solar PV electricity prices by 71%, in nominal terms. Competitive tenders were introduced after an unsuccessful attempt to implement feed‐in tariffs. The tenders incorporated standard, nonnegotiable contract documents, including 20‐year Power Purchase Agreements and an Implementation Agreement whereby the Government of South Africa back‐stops IPP payments by the national utility, Eskom. All of these projects have reached financial close to date and some are already delivering power to the grid. The financing success has been due in part to the requirements for commercial banks to undertake a thorough due diligence of projects prior to bids being offered. The details of the policy package described may be useful for other policy makers in countries developing policies for renewable energy deployment.
Ensemble Forecasting for Complex Time Series Using Sparse Representation and Neural Networks
Authors: Yu Lean , Zhao Yang , Tang Ling
Published: April 2016

Based on the concept of ‘decomposition and ensemble’, a novel ensemble forecasting approach is proposed for complex time series by coupling sparse representation (SR) and feedforward neural network (FNN), i.e. the SR‐based FNN approach. Three main steps are involved: data decomposition via SR, individual forecasting via FNN and ensemble forecasting via a simple addition method. In particular, to capture various coexisting hidden factors, the effective decomposition tool of SR with its unique virtues of flexibility and generalization is introduced to formulate an overcomplete dictionary covering diverse bases, e.g. exponential basis for main trend, Fourier basis for cyclical (and seasonal) features and wavelet basis for transient actions, different from other techniques with a single basis. Using crude oil price (a typical complex time series) as sample data, the empirical study statistically confirms the superiority of the SR‐based FNN method over some other popular forecasting models and similar ensemble models (with other decomposition tools). Copyright © 2016 John Wiley & Sons, Ltd.
Economic modeling of the CO2 transportation phase and its application to the Duero Basin, Spain
Authors: Llamas Bernardo , Hernández Álvaro , Mazadiego Luis Felipe , Pous Juan
Published: April 2016

Carbon capture and storage is a viable option to reduce greenhouse gas emissions. Although capture and geological storage of CO2 are the major forms of research, CO2 transportation should be also considered in the entire chain. There are still some issues that require a more accurate definition, especially in economic aspects. In this study, we explore concepts such as the uses of a storage structure for a single source with, for instance, an individual transportation line, and the use of a centralized model using a geological structure for several co2 emitters. This model has been applied in a given region of Spain, in order to determine the maximum distance between the sources and the potential areas for storing CO2, using a geographical information system to evaluate the data. Moreover, sensitive analysis was performed in order to provide a better understanding of the economical implications of CO2 transportation. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
Peripheral inflammation related to lower fMRI activation during a working memory task and resting functional connectivity among older adults: a preliminary study
Authors: Dev Sheena I. , Moore Raeanne C. , Soontornniyomkij Benchawanna , Achim Cristian L. , Jeste Dilip V. , Eyler Lisa T.
Published: April 2016

Objective

Peripheral inflammation has been associated with adverse effects on cognition and brain structure in late life, a process called ‘inflammaging.’ Identifying biomarkers of preclinical cognitive decline is critical in the development of preventative therapies, and peripheral inflammation may be able to serve as an indicator of cognitive decline. However, little is known regarding the relationship between peripheral inflammation and brain structure and function among older adults.

Methods

Twenty−four older adults (mean age = 78) underwent a functional magnetic resonance imaging (fMRI) resting state functional connectivity scan, and a subset (n = 14) completed the n‐Back working memory task in the scanner. All participants completed a blood draw, and inflammation was measured with interleukin 6 (IL‐6) and C‐Reactive Protein (CRP).

Results

Surprisingly, age was unrelated to measures of inflammation (IL‐6, CRP) or brain function (default mode network (DMN) connectivity; working memory performance; blood oxygenation level dependent (BOLD) activation with higher working memory load). However, lower functional connectivity between the left parietal seed and all other DMN regions was associated with higher levels of IL‐6 and CRP. Additionally, greater plasma concentration of IL‐6 was associated with lower BOLD activation in the left middle frontal gyrus in response to increased working memory load.

Conclusions

These preliminary findings support the importance of IL‐6 and CRP in brain function among older adults. Frontal and parietal regions may be particularly sensitive to the effects of inflammation. Additionally, these findings provide preliminary evidence of inflammatory contributions to level of neural activity, even after accounting for vascular risk factors.
Water Resources and Soil Management In Italy
Authors: Arcieri Marco
Published: April 2016

Italy has always had a long dramatic history of extreme events such as landslides, flooding, land degradation and drought. Much has been done in terms of prevention and monitoring but still there is much left to do, in particular introducing innovative alert systems based on the integration of real‐time weather forecasting with national alert and protection systems.

Recent drought events in the past decade have put new light on the pressing need to improve water use efficiency, introducing on one hand new criteria regarding water resources governance and management by water authorities and agencies involved in this, and on the other, fostering innovative techniques that may enable farmers to improve overall economic and sustainable production by adopting rigorous criteria in terms of managing techniques such as water scheduling. A great effort on this matter has been made by the National Association of Land Reclamation and Irrigation Consortia (ANBI), by introducing and spreading the use of the innovative IRRIFRAME software. IRRIFRAME is an expert system the use of which has allowed the saving up to today, according to data published by ANBI, something between 15 and 25% of water for farmers, increasing both the quantity and quality of agricultural production at the same time. Copyright © 2016 John Wiley & Sons, Ltd.
Minimally invasive screening for colitis using attenuated total internal reflectance fourier transform infrared spectroscopy
Authors: Titus Jitto , Viennois Emilie , Merlin Didier , Unil Perera A. G.
Published: April 2016

This article describes a rapid, simple and cost‐effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR‐FTIR) spectroscopy for the colitis‐induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate‐induced) models for colitis are tested using the ATR‐FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non‐colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non‐colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management.

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Detection of Apoptotic Lymphocytes Through Sysmex XN‐1000 As a Diagnostic Marker for Mononucleosis Syndrome
Authors: Sale Silvia , Carone Addolorata Emanuela , Fumi Maurizio , Pancione Ylenia , Rocco Vincenzo
Published: April 2016

Background

The infectious mononucleosis (IM) includes clue elements, apoptotic and atypical lymphocytes. In IM, the evaluation of dot plot provided by Sysmex XN‐1000 analyzer revealed a stretched lymphocytic cluster, white cell differential channel (WDF), on cytogram.

Methods

In this study, we analyzed 698 samples that include 39 IM, 76 chronic lymphoproliferative disorders, 25 nonclonal lymphocytosis, and 40 healthy donors. Five hundred eighteen samples with other diseases or interference were evaluated. The algorithm was validated on 40,000 files that were received from internal database of Sysmex‐Dasit.

Results

The analysis of flow cytometry standard (FCS) files in WDF channel and presumed apoptotic lymphocytes counts on side scatter/forward scatter (SSC/FSC) and SSC/SFL (where SFL is side fluorescence) dot plot revealed excellent correlation among apoptotic cells on peripheral blood smear (R2 = 0.79 and 0.75). There was a variation of positional parameters in lymphocyte clusters WX, WY, and WZ. If WX‐SSC > 500 and WY‐SFL > 1,000 and WZ‐FSC > 700, specificity equals to 99% and sensitivity equals to 100%. If nucleated red blood cell (NRBC) <0.03 × 103/μl, specificity equals to 100%. In received files, positives were 1% adding the simultaneous presence of a percentage of events in the two gates relating to the apoptotic lymphocytes of 1.2% of WBC.

Conclusion

On Sysmex XN‐1000, dot‐plot observation allowed immediate detection of IM. Meanwhile, an algorithm based on the parameters on these plots can be calculated with excellent performance.
Integrating Dynamic Positron Emission Tomography and Conventional Pharmacokinetic Studies to Delineate Plasma and Tumor Pharmacokinetics of FAU, a Prodrug Bioactivated by Thymidylate Synthase
Authors: Li Jing , Kim Seongho , Shields Anthony F. , Douglas Kirk A. , McHugh Christopher I. , Lawhorn‐Crews Jawana M. , Wu Jianmei , Mangner Thomas J. , LoRusso Patricia M.
Published: April 2016

FAU, a pyrimidine nucleotide analogue, is a prodrug bioactivated by intracellular thymidylate synthase to form FMAU, which is incorporated into DNA, causing cell death. This study presents a model‐based approach to integrating dynamic positron emission tomography (PET) and conventional plasma pharmacokinetic studies to characterize the plasma and tissue pharmacokinetics of FAU and FMAU. Twelve cancer patients were enrolled into a phase 1 study, where conventional plasma pharmacokinetic evaluation of therapeutic FAU (50–1600 mg/m2) and dynamic PET assessment of 18F‐FAU were performed. A parent‐metabolite population pharmacokinetic model was developed to simultaneously fit PET‐derived tissue data and conventional plasma pharmacokinetic data. The developed model enabled separation of PET‐derived total tissue concentrations into the parent drug and metabolite components. The model provides quantitative, mechanistic insights into the bioactivation of FAU and retention of FMAU in normal and tumor tissues and has potential utility to predict tumor responsiveness to FAU treatment.
Protein precipitation of diluted samples in SDS‐containing buffer with acetone leads to higher protein recovery and reproducibility in comparison with TCA/acetone approach
Authors: Santa Cátia , Anjo Sandra I. , Manadas Bruno
Published: April 2016

Proteomic approaches are extremely valuable in many fields of research, where mass spectrometry methods have gained an increasing interest, especially because of the ability to perform quantitative analysis. Nonetheless, sample preparation prior to mass spectrometry analysis is of the utmost importance. In this work, two protein precipitation approaches, widely used for cleaning and concentrating protein samples, were tested and compared in very diluted samples solubilized in a strong buffer (containing SDS). The amount of protein recovered after acetone and TCA/acetone precipitation was assessed, as well as the protein identification and relative quantification by SWATH‐MS yields were compared with the results from the same sample without precipitation. From this study, it was possible to conclude that in the case of diluted samples in denaturing buffers, the use of cold acetone as precipitation protocol is more favourable than the use of TCA/acetone in terms of reproducibility in protein recovery and number of identified and quantified proteins. Furthermore, the reproducibility in relative quantification of the proteins is even higher in samples precipitated with acetone compared with the original sample.
Peculiarities of studying the effects of pathogen reduction technologies on platelets
Authors: Osman Abdimajid , Hitzler Walter E. , Provost Patrick
Published: April 2016

The transfusion of platelet concentrates (PCs) is mainly used for treatment of thrombocytopenic, trauma or surgery patients. The integrity and safety of these platelet preparations, however, is compromised by the presence of pathogens, such as viruses, bacteria and parasites. The transfer of allogeneic donor leukocytes contaminating PCs can also potentially cause adverse reactions in recipients. These considerations prompted the development and implementation of pathogen reduction technologies (PRT), which are based on chemically induced cross‐linking and inactivation of nucleic acids. While the incumbent PRT may provide some protection against transfusion‐transmitted infections, they are ineffective against infectious prions and may not inactivate other emerging pathogens. In addition, the safety of PRT concerning platelet viability and function has been questioned in several reports. Recent studies suggest that PRT, such as Intercept, may adversely affect the messenger RNA (mRNA) and microRNA content of platelets, as well as their functional integrity, which may compromise the clinical benefits of PRT. Here, we will discuss about the peculiarities of studying the effects of PRT on platelets, which will need to be taken into account in future studies aimed to characterize further, and polish, the rugged side of this otherwise useful and potentially important approach in transfusion medicine.
Application of electroosmotic micropumps to a microfluidic system combined with a light‐addressable potentiometric sensor
Authors: Li Xueliang , Liu Shibin , Liang Jintao , Miyamoto Ko‐ichiro , Yoshinobu Tatsuo
Published: April 2016

An on‐chip electroosmotic (EO) micropump (EOP) was embedded in a microchannel combined with a light‐addressable potentiometric sensor (LAPS). The flow direction and the flow rate of EO flows on the LAPS chip could be controlled by the polarity and the magnitude of the applied DC voltage. The EOP could be used as an actuator to generate a sample droplet of about 1 nL and to drive it to the sensing position of a LAPS. A design of a microfluidic system as a (bio‐)chemical analysis device for measuring a small volume of sample is proposed.
Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory
Authors: Partovi‐Azar Pouya , Berg Matthias , Sanna Simone , Kühne Thomas D.
Published: April 2016

Recently, the quantum harmonic oscillator model has been combined with maximally localized Wannier functions to account for long‐range dispersion interactions in density functional theory calculations (Silvestrelli, J. Chem. Phys. 2013, 139, 054106). Here, we present a new, improved set of values for the three parameters involved in this scheme. To test the new parameter set we have computed the potential energy curves for various systems, including an isolated Ar2 dimer, two N2 dimers interacting within different configurations, and a water molecule physisorbed on pristine graphene. While the original set of parameters generally overestimates the interaction energies and underestimates the equilibrium distances, the new parameterization substantially improves the agreement with experimental and theoretical reference values. © 2016 Wiley Periodicals, Inc.
Interface quality and interface modes in the double quantum wells structure
Authors: Sheregii E. M. , Płoch D. , Płociński T. , Gębicki W.
Published: April 2016

The results of investigations of the double quantum well structure (DQWs) of special engineering are reported. The scanning transmission electron microscopy (STEM) observations confirmed a high quality of interfaces and smooth change of the In‐content in a rectangular shape QW. Micro‐Raman experiment enabled to detect interface phonons in DQWs which are manifested in magnetophonon resonance. This contribution of interface phonons in the electron magneto‐transport is important because as could be expected, the role of these phonons will increase in case of electron transport in the double quantum wires fabricated from DQWs investigated. Copyright © 2016 John Wiley & Sons, Ltd.
Transformation Reactions of Radicals from the Oxidation of Diphenhydramine: Pulse Radiolysis and Mass Spectrometric Studies
Authors: Menachery Sunil Paul M. , Nair Sreekanth R. , Nair Pramod G. , Aravind Usha K. , Aravindakumar Charuvila T.
Published: April 2016

Mechanistic aspects of diphenhydramine (DPH) oxidation induced by hydroxyl (•OH) and sulfate (SO4•−) radicals have been explored in detail by pulse radiolysis technique and high resolution mass spectrometry (HRMS). The transient absorption spectrum along with HRMS analysis undoubtedly established the non‐position selective hydroxylation of DPH by •OH (a; k2 = (1.08 ± 0.06) × 1010 dm3 mol−1 s−1; λmax: 335 nm) led to various transformation products (i ‐ vii) including isomeric mono (Ia‐d), di (IIa‐c) and tri (VIIa‐e) hydroxylated analogues. On the other hand, SO4•− (specific one electron oxidant) ultimately generates another hydroxylated adduct radical ‘c’ λmax: 330 nm, k2=(5.70 ± 0.03) × 109dm3 mol−1 s−1) which is formed as a result of preferential hydroxylation of initially formed radical cation ‘b’ at ipso position. The mechanism leading to the formation of various transformation products induced by •OH and SO4•− are thoroughly discussed. The mechanistic findings obtained from our studies (especially in the case of less investigated oxidant like SO4•−) are capable to enrich the fundamental understanding on environmentally relevant reactions initiated by •OH and SO4•−.
Amorphization of a Ru‐Ru‐Cd‐Coordination Polymer at Low Pressure
Authors: Scalambra Franco , Serrano‐Ruiz Manuel , Gudat Dietrich , Romerosa Antonio
Published: April 2016

The water soluble backbone heterometallic polymer {[{(PTA)2CpRu‐µ‐CN‐RuCp(PTA)2}‐µ‐CdCl3]}n (1), which is easily obtained in large amount, was synthesized and its structure determined by single crystal X‐ray diffraction. Coordination‐polymer 1 becomes amorphous when milled under low pressure (0.5 MPa). The amorphous compound was characterized by MAS‐NMR, elemental analysis, TG and Raman spectroscopy. The Raman spectrum of the coordination polymer was assigned by comparison with the Raman spectrum obtained by DFT calculation of a simple model of 1. The analysis of both calculated and experimental Raman spectra showed that Raman spectroscopy can be used to determine if the PTA ligand is mono‐ or bidentate, giving rise to a method for characterization and future studies of polymeric complexes containing bidentate PTA. The phase transformation of 1 under pressure and temperature was studied by PXR, showing how is possible to model easily this Ru‐Ru‐Cd inorganic polymer into a variety of different solid forms with possible new properties.
A First‐Principles Study on the Electronic, Vibrational, and Thermodynamic Properties of Jadeite and its Tentative Low‐Density Polymorph
Authors: Stoffel Ralf Peter , Philipps Katharina , Conradt Reinhard , Dronskowski Richard
Published: April 2016

The high‐pressure clinopyroxene mineral jadeite (chemical composition NaAlSi2O6) was studied by density‐functional theory with respect to its electronic, vibrational, and thermodynamic properties, correctly reproducing the available experimental data. At a larger‐than‐normal volume, however, a low‐density alumosilicate phase with tetrahedral instead of octahedral Al–O coordination was identified. This low‐density phase was investigated theoretically, too, and the results were compared to jadeite and experimentally observed properties of what has been dubbed jadeite glass. It turned out that the theoretically obtained properties of this hypothetical polymorph, such as the bulk modulus, the molar volume and the vibrational frequencies, agree well with the corresponding properties of the glass phase. Hence, from an inverse structure‐property relationship we propose to model jadeite glass with the aforementioned low‐density alumosilicate phase and tetrahedral Al–O motifs, as suggested from first principles and corroborated from experiment. The possibilities as well as the limitations of electronic, phonon and thermodynamic properties calculations applied to such a polymorph are also discussed.
Tailored circulatory intervention in adults with pulmonary hypertension due to congenital heart disease
Authors: Couperus L. E. , Henkens I. R. , Jongbloed M. R. M. , Hazekamp M. G. , Schalij M. J. , Vliegen H. W.
Published: April 2016

Background

Adults with pulmonary hypertension associated with congenital heart disease (PH-CHD) often have residual shunts. Invasive interventions aim to optimise pulmonary flow and prevent right ventricular failure. However, eligibility for procedures strongly depends on the adaptation potential of the pulmonary vasculature and right ventricle to resultant circulatory changes. Current guidelines are not sufficiently applicable to individual patients, who exhibit great diversity and complexity in cardiac anomalies.

Methods and Results

We present four complex adult PH-CHD patients with impaired pulmonary flow, including detailed graphics of the cardiopulmonary circulation. All these patients had an ambiguous indication for shunt intervention. Our local multidisciplinary Grown-Ups with Congenital Heart Disease team reached consensus regarding a patient-tailored invasive treatment strategy, adjacent to relevant guidelines. Interventions improved pulmonary haemodynamics and short-term clinical functioning in all cases.

Conclusions

Individual evaluation of disease characteristics is mandatory for tailored interventional treatment in PH-CHD patients, adjacent to relevant guidelines. Both strict registration of cases and multidisciplinary and multicentre collaboration are essential in the quest for optimal therapy in this patient population.
Enhanced flow visualisation of complex aerodynamic phenomena using automatic stream surface seeding with application to the BLOODHOUND SSC Land Speed Record vehicle
Authors: Edmunds M. , Evans B. , Masters I. , Laramee R. S.
Published: April 2016

This application paper describes a novel, cluster-based, semi-automatic, stream surface placement strategy for structured and unstructured computational fluid dynamics (CFD) data, tailored towards a specific application: The BLOODHOUND jet and rocket propelled land speed record vehicle. An existing automatic stream surface placement algorithm(8), is extensively modified to cater for large unstructured CFD simulation data. The existing algorithm uses hierarchical clustering of velocity and distance vectors to find potential stream surface seeding locations. This work replaces the hierarchical clustering algorithm, designed to work with small regular grids, with a K-means clustering approach suitable for large unstructured grids. Modifications are made to the seeding curve construction algorithm, improving the smoothness and distribution of the discretised curve in complex cases. A new distance function is described which allows the user to target particular characteristics of simulation data. The proposed algorithm reduces the required memory footprint and computational requirement compared to previous work(8). The performance and effectiveness of the proposed algorithm is demonstrated, and CFD domain expert evaluation is provided describing the value of this approach.
Reduced-order modelling of non-linear, transient aerodynamics of the HIRENASD wing
Authors: Lindhorst K. , Haupt M.C. , Horst P.
Published: April 2016

In this paper, a surrogate model approach for non-linear aerodynamics is presented in order to reduce the computational effort of coupled aeroelastic analyses. The usability of the approach is demonstrated in static as well as transient aeroelastic analyses of the HIRENASD wing-fuselage configuration. Furthermore, it is shown that the surrogate model approach is able to cover variations of flow conditions at a fixed Mach and Reynolds number.