bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: A Metal‐ and Azide‐Free Multicomponent Assembly Toward Regioselective Construction of 1,5‐Disubstituted 1,2,3‐Triazoles.
Authors: Wan Jie‐Ping , Cao Shuo , Liu Yunyun
Published: January 2016

The title triazoles are regioselectively obtained by three‐component reaction of various enaminones, primary amines, and tosylhydrazine involving a cascade dual C—N bond formation, N—N bond formation and an acyl migration‐based C—C bond formation.
ChemInform Abstract: Synthesis of 1,4,2‐Oxathiazoles via Oxidative Cyclization of Thiohydroximic Acids.
Authors: Lemercier Berenice C. , Pierce Joshua G.
Published: January 2016

The synthesis tolerates a wide variety of alkyl, aryl, and heteroaryl substituents and can be carried out on gram scale.
ChemInform Abstract: Tetramethylguanidium‐Based Ionic Liquids as Efficient and Reusable Catalysts for the Synthesis of Biscoumarin at Room Temperature.
Authors: Zhu Anlian , Wang Mingyue , Li Lingjun , Wang Jianji
Published: January 2016

Tetramethylguanidium acetate is an efficient catalyst for the one‐pot synthesis of biscoumarins.
ChemInform Abstract: Photocatalytic Dehydrogenative Lactonization of 2‐Arylbenzoic Acids.
Authors: Ramirez Nieves P. , Bosque Irene , Gonzalez‐Gomez Jose C.
Published: January 2016

This method provides a general and convenient access to various substituted benzo‐3,4‐coumarins under mild conditions.
ChemInform Abstract: Eco‐Friendly Synthesis of Diverse and Valuable 2‐Pyridones by Catalyst‐ and Solvent‐Free Thermal Multicomponent Domino Reaction.
Authors: Poudel Tej Narayan , Lee Yong Rok , Kim Sung Hong
Published: January 2016

A series of functionalized 2‐pyridone derivatives are efficiently and eco‐friendly obtained by multicomponent reaction of several chromene derivatives with 1,3‐diketoesters and various aromatic or aliphatic amines.
ChemInform Abstract: Rh‐Catalyzed Reactions of 3‐Diazoindolin‐2‐imines: Synthesis of Pyridoindoles and Tetrahydrofuropyrroloindoles.
Authors: Wang Chen , Zhang Haojie , Lang Bo , Ren Anni , Lu Ping , Wang Yanguang
Published: January 2016

The title substrates are transformed into α‐imino rhodiumcarbene intermediates which react with furans or tetrahydrofurans to give pyridoindoles and tetrahydrofuropyrroloindoles, respectively.
ChemInform Abstract: Iron(III) Chloride‐Catalyzed Decarboxylative—Deaminative Functionalization of Phenylglycine: A Tandem Synthesis of Quinazolinones and Benzimidazoles.
Authors: Kumar Manoranjan , Richa Manoranjan , Sharma Sushila , Bhatt Vinod , Kumar Neeraj
Published: January 2016

A novel procedure is elaborated for the synthesis of quinazolinones (III) from 2‐nitrobenzonitriles (I) and phenylglycines (II).
ChemInform Abstract: Direct Construction of the 9H‐Pyrrolo[1,2‐a]azepin‐9‐amine Skeleton via [4 + 3] Annulation of Alkyl 2‐Aroyl‐1‐chlorocyclopropanecarboxylates.
Authors: Hu Junhao , Liu Yang , Gong Yuefa
Published: January 2016

A series of pyrrolo[1,2‐a]azepin‐9‐amines (28 examples) is readily prepared by [4 + 3] annulation of pyrrole imines with chlorocyclopropanes (II).
ChemInform Abstract: Boryl (Hetero)aryne Precursors as Versatile Arylation Reagents: Synthesis Through C—H Activation and Orthogonal Reactivity.
Authors: Demory Emilien , Devaraj Karthik , Orthaber Andreas , Gates Paul J. , Pilarski Lukasz T.
Published: January 2016

Direct Ir‐catalyzed C—H arylation of o‐silylaryl triflates offers a regioselective entry to a novel class of (pinacolato)boryl building blocks which can be easily transformed into a wide range of derivatives through functionalization of the boryl substituent or via aryne reactions.
ChemInform Abstract: Ligandless Regioselective Hydrosilylation of Allenes Catalyzed by Gold Nanoparticles.
Authors: Kidonakis Marios , Stratakis Manolis
Published: January 2016

A facile protocol using recyclable gold nanoparticles as catalyst renders possible the hydrosilane addition on the more substituted double bond of terminal allenes in a highly regioselective manner.
ChemInform Abstract: Silver‐Catalyzed Direct Csp2‐H Radical Phosphorylation of Coumarins with H‐Phosphites.
Authors: Yuan Jin‐Wei , Li Yuan‐Zhe , Yang Liang‐Ru , Mai Wen‐Peng , Mao Pu , Xiao Yong‐Mei , Qu Ling‐Bo
Published: January 2016

The new direct phosphorylation proceeds in the presence of AgNO3 under mild conditions, affording selective 3‐phosphorylated benzopyran derivatives in moderate to good yields.
ChemInform Abstract: Mizoroki—Heck Reaction of Aryl Halides and Dialkyl Allylphosphonates in Water Catalyzed by Reusable Palladium Nanoparticles.
Authors: Liao Wei‐Ting , Yang Xin‐Jing , Tseng Ya‐Yi , Wu Chien‐Chi , Liu Ling‐Jun , Tsai Fu‐Yu
Published: January 2016

Various aryl‐substituted allylphosphonates are synthesized using commercial PdCl2(NH3)2 as catalyst under aerobic conditions.
ChemInform Abstract: A Novel Sesquiterpene and Three New Phenolic Compounds from the Rhizomes of Acorus tatarinowii Schott.
Authors: Liang Shuang , Ying Shu‐Song , Wu Hong‐Hua , Liu Yan‐Ting , Dong Peng‐Zhi , Zhu Yan , Xu Yan‐Tong
Published: January 2016

Sesquiterpene named tatarinolactone (I), amides [(II) and (III)], and biphenylpropanoid (IV) are isolated from the rhizomes of title plant.
ChemInform Abstract: Bioactive Steroid Derivatives and Butyrolactone Derivatives from a Gorgonian‐Derived Aspergillus sp. Fungus.
Authors: Chen Min , Wang Kai‐Ling , Liu Min , She Zhi‐Gang , Wang Chang‐Yun
Published: January 2016

Six steroid derivatives including the novel, highly conjugated one (I), and five known butyrolactone derivatives are isolated and their structures are elucidated based on NMR and MS data.
ChemInform Abstract: Diversity‐Oriented Synthesis of Analogues of the Novel Macrocyclic Peptide FR‐225497 Through Late Stage Functionalization.
Authors: Mukherjee Jyotiprasad , Sil Suman , Chattopadhyay Shital Kumar
Published: January 2016

A concise synthetic approach to a class of biologically interesting cyclic tetrapeptides is reported which involves a late‐stage functionalization of a macrocyclic scaffold through cross metathesis in an attempt to create diversity.
ChemInform Abstract: Organocatalytic Dynamic Kinetic Resolution of Azlactones to Construct Chiral N‐Acyl Amino Acid Oxime Esters.
Authors: Yu Kunru , Liu Xiaohua , Lin Xiaobin , Lin Lili , Feng Xiaoming
Published: January 2016

A chiral bisguanidinium salt is applied as a catalyst for the dynamic kinetic resolution of azlactones (I) and (VI) leading to N‐acyl amino acid oxime esters in high yields and excellent enantiomeric excesses (up to 97%).
ChemInform Abstract: Review — Battery Materials: Why Defect Chemistry?
Authors: Maier Joachim
Published: January 2016

Review: 45 refs.
ChemInform Abstract: Structure of Isocyanide Palladium(II) Complexes and Their Reactivity Toward Nitrogen Nucleophiles
Authors: Kinzhalov M. A. , Boyarskii V. P.
Published: January 2016

Review: 88 refs.
ChemInform Abstract: Cucurbituril‐Based Molecular Recognition
Authors: Barrow Steven J. , Kasera Setu , Rowland Matthew J. , del Barrio Jesus , Scherman Oren A.
Published: January 2016

Review: 416 refs.
ChemInform Abstract: Manganese Organometallic Compounds in Homogeneous Catalysis: Past, Present, and Prospects
Authors: Valyaev Dmitry A. , Lavigne Guy , Lugan Noel
Published: January 2016

Review: 174 refs.
ChemInform Abstract: Recent Developments in the Preparation of N‐Heterocycles Using Pd‐Catalyzed C—H Activation
Authors: Shaikh Tanveer Mahamadali , Hong Fung‐E.
Published: January 2016

Review: 105 refs.
ChemInform Abstract: Carboranes as Guests, Counterions and Linkers in Coordination Polymers and Networks
Authors: Housecroft Catherine E.
Published: January 2016

Review: 42 refs.
ChemInform Abstract: Current Issues in Molecular Catalysis Illustrated by Iron Porphyrins as Catalysts of the CO2‐to‐CO Electrochemical Conversion
Authors: Costentin Cyrille , Robert Marc , Saveant Jean‐Michel
Published: January 2016

Review: 41 refs.
ChemInform Abstract: D‐Ribonolactone, a Versatile Synthetic Precursor of Biologically Relevant Scaffolds
Authors: Silveira Gustavo P. , Cardozo Herbert M. , Rossa Thais A. , Sa Marcus M.
Published: January 2016

Review: 90 refs.
ChemInform Abstract: A Review of Mechanomagnetic Spectroscopy. Case Study: Dye Polycrystals
Authors: Corro M. L. , El Hichou A. , Kustov S.
Published: January 2016

Review: 16 refs.
ChemInform Abstract: Super Dewetting Surfaces: Focusing on Their Design and Fabrication Methods
Authors: Valipour Motlagh Naser , Khani Rouhollah , Rahnama Saeed
Published: January 2016

Review: 212 refs.
ChemInform Abstract: Mineralization of Carbon Dioxide: A Literature Review
Authors: Romanov Vyacheslav , Soong Yee , Carney Casey , Rush Gilbert E. , Nielsen Benjamin , O'Connor William
Published: January 2016

Review: 223 refs.
Herstellung und Charakterisierung von reaktiven Adsorbentien – Untersuchungen zum Reaktionsablauf
Authors: Goldnik Edith , Turek Thomas
Published: January 2016

Zur Entfernung von Schadgasen aus Umgebungsluft kann eine trockene Abscheidung mit einem Schüttbett aus partikulären Adsorbentien durchgeführt werden. Durch Extrusion wurden Formkörper hergestellt, die als aktive Komponente Kaliumpermanganat enthalten und zur Abscheidung des Modellschadgases H2S dienen. Die Extrudate wurden hinsichtlich ihrer mechanischen Stabilität und der Abscheideleistung mit Durchbruchskurven charakterisiert. Bei diesen Versuchen zeigte sich, dass die Schüttung durchbricht, bevor die Extrudate komplett abreagiert sind. Offenbar kann das Gas während der Reaktion nur langsam in das Extrudat eindringen, so dass die Reaktion hauptsächlich an der äußeren Oberfläche stattfindet.
How do you write and present research well? 6—Tell it in the title
Authors: Patience Gregory S. , Boffito Daria C. , Patience Paul A.
Published: January 2016

Titles should be concise but informative. Words in titles are a primary source for text‐matching for internet search engines. How many characters should your title have?[1]
Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High‐Resolution Crystal Structures
Authors: Rühmann Eggert H. , Rupp Melinda , Betz Michael , Heine Andreas , Klebe Gerhard
Published: January 2016

Structural preorganization to fix bioactive conformations at protein binding sites is a popular strategy to enhance binding affinity during late‐stage optimization. The rationale for this enhancement relates to entropic advantages assigned to rigidified versus flexible ligands. We analyzed a narrow series of peptidomimetics binding to thrombin. The individual ligands exhibit at P2 a conformationally flexible glycine, more restricted alanine, N‐methylglycine, N‐methylhomoalanine, and largely rigidified proline moiety. Overall, affinity was found to increase by a factor of 1000, explained partly by an entropic advantage. All ligands adopt the same binding mode with small deviations. The residual mobility of the bound ligands is decreased across the series, and a protein side chain differs in its order/disorder behavior along with changes in the surface‐water network pattern established across the newly generated protein–ligand surfaces. The enthalpy/entropy inventory displays a rather complex picture and emphasizes that thermodynamics can only be compared in terms of relative differences within a structurally similar ligand series.
Detailed analysis of the UV‐adjustment techniques used in paper and graphic industries
Authors: Yang Li
Published: January 2016

Many commercial materials (papers and boards) contain optical brightening agents also known as fluorescent whitening agents. Adequate adjustment of the UV content of a measurement device (e.g., spectrophotometers) is essential for accurate color measurement. As specified in the ISO standards, the UV content is adjusted against an assigned value of an international reference transfer standard, for example, CIE whiteness (D65/10°) for the CIE illuminant D65 or ISO brightness for the C illuminant. Because of the simplicity, these approaches have gained great popularity in papermaking industry. Yet, there has been little evidence indicating how accurate the total spectral radiance factor corresponding to the single assigned value is reproduced. Hence, we present a method that quantitatively evaluates the accuracy of the UV‐adjustment technique, through comparing the total spectral radiance factors obtained from UV adjustment with the assigned ones. This method has been applied to three second‐level international reference transfer standard illuminated by three standard illuminants, D65, C, and D50. We found that the major differences between the assigned spectra and those obtained from the UV adjustments occur in the blue band where fluorescence is strong. At a few wavelengths, the differences may be up to 4–5%. Nevertheless, their color differences corresponding to the assigned spectra and those obtained from the UV adjustments are still smaller than unity (1 ΔE*) for all of the illumination conditions. Two instruments using the representative UV adjusting techniques, for example, the conventional UV‐adjusting with an adjustable (GG395) UV filter and the numerical UV‐filtering, have been studied. © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 19–26, 2017
Color in the urban environment: A user‐oriented protocol for chromatic characterization and the development of a parametric typology
Authors: Nguyen Luan , Teller Jacques
Published: January 2016

This article presents a user‐oriented protocol that can be used to characterize chromatic attributes of an urban area. A need for both affordable and reliable assessment method of color has been observed in the field of urban design. The challenge is to provide statistical answers to these two questions: how is color organized, how does it develop its own structure in the city? The main purpose of the research is hence to investigate mean color types within the city via the implementation of a characterization tool; an urban area of the four main classes (historic center, periurban housing districts, working‐class neighborhoods, and commercial zones) being characterized by a specific color palette, or a layout of specific color types. The developed instrumentation allows the assessment of the homogeneous and consistent features of an urban district. Their characterization protocol was tested through an application to several streets of the city of Liège (Belgium). © 2016 Wiley Periodicals, Inc. Col Res Appl, 42, 131–142, 2017
Pre‐hispanic pigments and Italian renaissance designs at Spanish colonial missions churches in Northern Mexico
Authors: Muñoz‐Alcocer Karla , Fuster‐López Laura , Pizarro‐Medina Andrea , Picollo Marcello , Bartolozzi Giovanni
Published: January 2016

This article presents the early ATR‐FTIR and FORS results of the analysis carried out in five polychrome wooden ceilings from different Jesuit Spanish colonial mission churches. These mission churches date between 1674 and 1723 and are located in the rural villages of Santa Maria, Cusihuiriachi, Coyachi, La Joya, and Rosario in the Northern Mexican State of Chihuahua. The decorative motifs in all five church sites were executed using a similar color palette and painting technique although the pictorial quality differs from one site to the next. The samples collected from the interior of the La Asunción de Santa María de Cuevas are of considerable importance as this site is one of the most significant models of colonial architecture, containing some of the oldest examples of colonial figurative art in Northern Mexico. The scope of this research is to identify and compare the pigments and techniques used in the decorative surfaces of these five selected mission churches. Preliminary FTIR results have unexpectedly determined the presence of indigo and cochineal (not traditionally used among Chihuahua natives) and possibly a mixture of both to produce different tones to decorate the wooden ceilings and choirs of the five missions studied. © 2016 Wiley Periodicals, Inc. Col Res Appl, 41, 289–293, 2016
José de Escovar at the Chapel of the Souls: Technical and material study of a 1603 panel painting
Authors: Gil Milene , Pereira Catarina , Relvas Cátia , Nunes Margarida , Pessanha Sofia , Cardoso Ana , Antunes Vanessa , Monteiro Patrícia , Ferreira Teresa
Published: January 2016

This article reports the preliminary results of a technical and material study carried out on a 17th century panel painting located at the Chapel of the Souls in the main church of Vila Nova da Baronia (30 km away from Évora city, in southern Portugal). This painting is attributed to José the Escovar, a painter that worked for Évora Archiepiscopate between 1583 and 1622. José the Escovar is known by his mural paintings all across the Alentejo region. This is the first time that a panel painting made by this artist was studied. Analytical methods used included in situ technical photography (visible (Vis), raking light (RAK), infrared (IR), and ultraviolet (UV)), optical microscopy of cross sections, scanning electron microscopy with energy dispersive X‐ray spectrometry (SEM‐EDS), micro Raman spectroscopy, and micro Fourier transform infrared spectroscopy (μ‐FT‐IR). The goal was to ascertain the techniques and colored materials used by Escovar on this painting so that the data can be used in future comparisons with others works attributed to this painter based on stylistic aspects. © 2016 Wiley Periodicals, Inc. Col Res Appl, 41, 252–257, 2016
The use of hyperspectral imaging technique to detect the most suitable graffiti‐cleaning procedure
Authors: Pozo‐Antonio J. S. , Ramil A. , Fiorucci M. P. , López A. J. , Rivas T.
Published: January 2016

Nowadays, graffiti paints are one of the most common human interventions on monuments and historic façades with damaging results. It is an aesthetic problem but also a serious threat to the conservation of built heritage. The aim of this article is to evaluate the suitability of a hyperspectral imaging technique as a non‐destructive tool to determine the most adequate method of removing graffiti paints applied on granite rocks. Different cleaning procedures were analyzed; i.e., chemical, mechanical, and laser ablation. The cleaning effectiveness was evaluated based on the degree of paint extraction and the final appearance of the stone surface. The results obtained by hyperspectral technique were compared with those obtained by optical and electronic microscopies and color spectrophotometry. These results indicate the ability of hyperspectral imaging technique to assess the paint removal and thus to evaluate the suitability of the different graffiti cleaning procedures. © 2016 Wiley Periodicals, Inc. Col Res Appl, 41, 308–312, 2016
Conformations of Low‐Molecular‐Weight Lignin Polymers in Water
Authors: Petridis Loukas , Smith Jeremy C.
Published: January 2016

Low‐molecular‐weight lignin binds to cellulose during the thermochemical pretreatment of biomass for biofuel production, which prevents the efficient hydrolysis of the cellulose to sugars. The binding properties of lignin are influenced strongly by the conformations it adopts. Here, we use molecular dynamics simulations in aqueous solution to investigate the dependence of the shape of lignin polymers on chain length and temperature. Lignin is found to adopt collapsed conformations in water at 300 and 500 K. However, at 300 K, a discontinuous transition is found in the shape of the polymer as a function of the chain length. Below a critical degree of polymerization, Nc=15, the polymer adopts less spherical conformations than above Nc. The transition disappears at high temperatures (500 K) at which only spherical shapes are adopted. An implication relevant to cellulosic biofuel production is that lignin will self‐aggregate even at high pretreatment temperatures.
Fuzzy‐based trust prediction for effective coordination in vehicular ad hoc networks
Authors: Malhi Avleen Kaur , Batra Shalini
Published: January 2016

In a vehicular ad hoc network, trust between vehicles is vital to efficiently transmit the data among vehicles. Secure node selection is based on the trust value that a node can calculate during its operations in a dynamic network. This will increase the confidentiality level of the network, thus improving the network performance. However, defining confidentiality is not a crisp task, rather it can range between certain limits. A fuzzy‐based inference engine can be used to optimally define these limits. In this paper, a fuzzy‐based trust prediction model is proposed to effectively compute the trust of other vehicles for the secure path formation in vehicular ad hoc networks. In the designed approach, each vehicle models the trustworthiness of the neighbors in its cognitive range to dynamically select the relay nodes that can be used for data transmission and the election of the appropriate path for routing in vehicular ad hoc network environment. The results and analysis of the proposed model over the standard protocols are presented using simulations. Copyright © 2016 John Wiley & Sons, Ltd.
Promote understanding about disability on campus
Authors: Hope Joan
Published: January 2016

Alice Elliott, an Academy Award–nominated filmmaker and faculty member at New York University's Tisch School of the Arts, made a documentary titled Accommodation about three students with disabilities who attended NYU. Mary Liz McNamara, assistant director of the Henry and Lucy Moses Center for Students with Disabilities at NYU; and Bridget Betts, senior disability specialist, discussed the film.
Hypochloraemia is strongly and independently associated with mortality in patients with chronic heart failure
Authors: Testani Jeffrey M. , Hanberg Jennifer S. , Arroyo Juan Pablo , Brisco Meredith A. , ter Maaten Jozine M. , Wilson F. Perry , Bellumkonda Lavanya , Jacoby Daniel , Tang W.H. Wilson , Parikh Chirag R.
Published: January 2016

Aims

Hyponatraemia is strongly associated with adverse outcomes in heart failure. However, accumulating evidence suggests that chloride may play an important role in renal salt sensing and regulation of neurohormonal and sodium‐conserving pathways. Our objective was to determine the prognostic importance of hypochloraemia in patients with heart failure.

Methods and results

Patients in the BEST trial with baseline serum chloride values were evaluated (n = 2699). Hypochloraemia was defined as a serum chloride ≤96 mmol/L and hyponatraemia as serum sodium ≤135 mmol/L. Hypochloraemia was present in 13.0% and hyponatraemia in 13.7% of the population. Chloride and sodium were only modestly correlated (r = 0.53), resulting in only 48.7% of hypochloraemic patients having concurrent hyponatraemia. Both hyponatraemia and hypochloraemia identified a population with greater disease severity; however, renal function tended to be worse and loop diuretic doses higher with hypochloraemia. In univariate analysis, lower serum sodium or serum chloride as continuous parameters were each strongly associated with mortality (P < 0.001). However, when both parameters were included in the same model, serum chloride remained strongly associated with mortality [hazard ratio (HR) 1.3 per standard deviation decrease, 95% confidence interval (CI) 1.18–1.42, P < 0.001], whereas sodium was not (HR 0.97 per standard deviation decrease, 95% CI 0.89–1.06, P = 0.52).

Conclusion

Serum chloride is strongly and independently associated with worsened survival in patients with chronic heart failure and accounted for the majority of the risk otherwise attributable to hyponatraemia. Given the critical role of chloride in a number of regulatory pathways central to heart failure pathophysiology, additional research is warranted in this area.
Sensitive Electrochemical Prostate Specific Antigen Aptasensor: Effect of Carboxylic Acid Functionalized Carbon Nanotube and Glutaraldehyde Linker
Authors: Tahmasebi Fatemeh , Noorbakhsh Abdollah
Published: January 2016

The performance of carboxylic acid functionalized carbon nanotubes (CNTs(COOH)), chitosan (Chit), carbon nanotubes‐chitosan (CNTs‐Chit and CNTs(COOH)‐Chit) for immobilizing of amino‐functionalized ssDNA and fabrication of electrochemical prostate specific antigen (PSA) aptasensor were studied in detail using X‐ray diffraction spectroscopy (XRD), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT‐IR) and electrochemical impedance spectroscopy (EIS). The assemblies of capture probe are formed on the surface via two approaches: EDC/NHS chemistry and glutaraldehyde linker. Cyclic voltammetry (CV), differential pulse voltammetry (DPV) and EIS techniques were used to investigate the analytical performance of the PSA aptasensor. Under optimum conditions the sensitivity of 0.0026 µA/(ng/ml) and a limit of detection of 0.75 ng/ml (22 pM) were obtained for PSA detection. This protocol offers a new means for sensitive detection of PSA with some advantages in terms of simplicity, selectivity, ease of use and regenerability.
Diffusioosmotic flow in rectangular microchannels
Authors: Hoshyargar Vahid , Nezameddin Ashrafizadeh Seyed , Sadeghi Arman
Published: January 2016

The diffusioosmosis of an electrolyte solution inside a uniformly charged rectangular channel at steady locally developed conditions is the subject of this study. Utilizing a finite element based numerical procedure, we try to estimate the errors incurred by modeling the actual rectangular geometry of typical microchannels as a slit. We demonstrate that the flow pattern and direction are generally dependent upon the width‐to‐height ratio of the channel. Such a finding, besides showing the ineffectiveness of the slit geometry in representing a rectangular channel of small aspect ratio, informs us of another mechanism of controlling the diffusioosmotic flow. Inspections of the mean velocity reveal that, although it drastically grows by increasing the aspect ratio at smaller values of this parameter, no significant change is observed when the aspect ratio is 5 or higher. The same trend is observed when EDL is shrunk and is considered as a basis for the introduction of a slip‐like velocity, similar to the concept of the Helmholtz–Smoluchowski electroosmotic velocity, which will be of high practical importance when dealing with a micronsized channel. Because of its significance, an expression is presented for this slip velocity utilizing the curve fitting of the results, assuming a typical Peclet number.
An integrated approach for investigating geomorphic response to extreme events: methodological framework and application to the October 2011 flood in the Magra River catchment, Italy
Authors: Rinaldi Massimo , Amponsah William , Benvenuti Marco , Borga Marco , Comiti Francesco , Lucía Ana , Marchi Lorenzo , Nardi Laura , Righini Margherita , Surian Nicola
Published: January 2016

A high‐magnitude flash flood, which took place on 25 October 2011 in the Magra River catchment (1717 km2), central‐northern Italy, is used to illustrate some aspects of the geomorphic response to the flood. An overall methodological framework is described for using interlinked observations and analyses of the geomorphic impacts of an extreme event.

The following methods and analyses were carried out: (i) hydrological and hydraulic analysis of the event; (ii) sediment delivery by event landslide mapping; (iii) identification and estimation of wood recruitment, deposition, and budgeting; (iv) interpretation of morphological processes by analysing fluvial deposits; (v) remote sensing and geographic information system (GIS) analysis of channel width changes.

In response to the high‐magnitude hydrological event, a large number of landslides occurred, consisting of earth flows, soil slips, and translational slides, and a large quantity of wood was recruited, in most part deriving from floodplain erosion caused by bank retreat and channel widening. The most important impact of the flood event within the valley floor was an impressive widening of the overall channel bed and the reactivation of wide portions of the pre‐event floodplain. Along the investigated (unconfined or partly confined) streams (total investigated length of 93.5 km), the channel width after the flood was up to about 20 times the channel width before the event.

The study has shown that a synergic use of different methods and types of evidence provides fundamental information for characterizing and understanding the geomorphic effects of intense flood events. The prediction of geomorphic response to a flood event is still challenging and many limitations exist; however a robust geomorphological analysis can contribute to the identification of the most critical reaches. Copyright © 2016 John Wiley & Sons, Ltd.
On linear and nonlinear aspects of dynamic mode decomposition
Authors: Alekseev A. K. , Bistrian D. A. , Bondarev A. E. , Navon I. M.
Published: January 2016

The approximation of reduced linear evolution operator (propagator) via dynamic mode decomposition (DMD) is addressed for both linear and nonlinear events. The 2D unsteady supersonic underexpanded jet, impinging the flat plate in nonlinear oscillating mode, is used as the first test problem for both modes. Large memory savings for the propagator approximation are demonstrated. Corresponding prospects for the estimation of receptivity and singular vectors are discussed. The shallow water equations are used as the second large‐scale test problem. Excellent results are obtained for the proposed optimized DMD method of the shallow water equations when compared with recent POD‐based/discrete empirical interpolation‐based model reduction results in the literature. Copyright © 2016 John Wiley & Sons, Ltd.
Dorsch, Hering und Sprotte
Authors: Quaas Martin F.
Published: January 2016

Zusammenschau statt Fragmentierung: Zu einer nachhaltigen Fischerei können verschiedenste Fachgebiete beitragen — von der Meeresbiologie über die Ökonomie bis zu den Rechtswissenschaften. Der Exzellenzcluster „Ozean der Zukunft”︁ versucht den Dialog.
Exzellenzinitiative: Wir nehmen sie beim Wort
Authors: Strohschneider Peter
Published: January 2016

Vor den Entscheidungen zu einer neuen Bund‐Länder‐Initiative: Noch immer ist nicht klar, wie die Politik ihren Gestaltungsauftrag und ‐anspruch wahrnehmen will. Dabei hat sie sich im Grunde längst selbst auf die Fortführung jener Prinzipien verpflichtet, die schon bisher den Erfolg der Exzellenzinitiative ausmachten: auf die themenoffene Förderung von Spitzenforschung und auf ein wissenschaftsgeleitetes Verfahren.
Individualisten im Überlebenskampf
Authors: Hagg Wilfried
Published: January 2016

Kleine Alpengletscher gelten als unspektakulär, dabei sind auch sie wichtige Klimaindikatoren. Geografen führen historische und aktuelle Daten in aufwendigen Computermodellen zusammen. So sollen Gefahren, aber auch Chancen für Natur und Tourismus besser erkannt werden.
Zur Rolle der Materialmodelle beim Standsicherheitsnachweis
Authors: Kolymbas Dimitrios , Fellin Wolfgang , Schneider‐Muntau Barbara , Medicus Gertraud , Schranz Fabian
Published: January 2016

Die Ansicht, dass für die numerische Simulation von geotechnischem Versagen das Materialmodell keine wesentliche Rolle spielt, wird kritisch erörtert. Aufgrund von Literaturhinweisen und eigenen Untersuchungen wird gezeigt, dass das Materialmodell durchaus eine Rolle spielen kann. Es ist daher fundiertes Fachwissen über die Materialmodelle erforderlich. Eine Außerachtlassung von Materialmodellen bei Standsicherheitsnachweisen a priori sollte vermieden werden.

Dieser Artikel wurde aus technischen Problemen doppelt veröffentlicht 10.1002/gete.201600017.

On the role of constitutive models in simulation of limit state. This paper challenges the critical perception that constitutive models play no important role in numerical simulation of geotechnical collapses. Contrary to this conventional perception, the role of constitutive models in collapse simulations is investigated and highlighted by means of published results and own research. This shows that application of constitutive models in numerical investigations of limit states demands a profound knowledge of them.
HTA Implementation Roadmap in Central and Eastern European Countries
Authors: Kaló Zoltán , Gheorghe Adrian , Huic Mirjana , Csanádi Marcell , Kristensen Finn Boerlum
Published: January 2016

The opportunity cost of inappropriate health policy decisions is greater in Central and Eastern European (CEE) compared with Western European (WE) countries because of poorer population health and more limited healthcare resources. Application of health technology assessment (HTA) prior to healthcare financing decisions can improve the allocative efficiency of scarce resources. However, few CEE countries have a clear roadmap for HTA implementation. Examples from high‐income countries may not be directly relevant, as CEE countries cannot allocate so much financial and human resources for substantiating policy decisions with evidence.

Our objective was to describe the main HTA implementation scenarios in CEE countries and summarize the most important questions related to capacity building, financing HTA research, process and organizational structure for HTA, standardization of HTA methodology, use of local data, scope of mandatory HTA, decision criteria, and international collaboration in HTA.

Although HTA implementation strategies from the region can be relevant examples for other CEE countries with similar cultural environment and economic status, HTA roadmaps are not still fully transferable without taking into account country‐specific aspects, such as country size, gross domestic product per capita, major social values, public health priorities, and fragmentation of healthcare financing. Copyright © 2016 John Wiley & Sons, Ltd.
An Efficient Stereoselective Total Synthesis of Bioactive (3R,5R)‐1‐(4‐Hydroxyphenyl)‐7‐phenylheptane‐3,5‐diol via Asymmetric Aldol Reaction
Authors: Ramesh Perla , Raju Atla , Fadnavis Nitin W.
Published: January 2016

An efficient stereoselective total synthesis of (3R,5R)‐1‐(4‐hydroxyphenyl)‐7‐phenylheptane‐3,5‐diol (1) is reported based on the Mukaiyama aldol reaction. The total synthesis of compound 1 was accomplished with 30% overall yield in simple eight steps from commercially available trans‐cinnamaldehyde.
Reprogramming for Cardiac Regeneration—Strategies for Innovation
Authors: Sanchis‐Gomar Fabian , Galera Teresa , Lucia Alejandro , Gallardo María Esther
Published: January 2016

It is well‐known that the human myocardium has a low capacity for self‐regeneration. This fact is especially important after acute myocardial infarction with subsequent heart failure and adverse tissue remodeling. New potential strategies have recently emerged for treating heart diseases, such as the possibility of generating large quantities of cardiomyocytes through genetic iPSC reprogramming, transdifferentiation for in vitro disease modeling, in vivo therapies or telomerase gene reactivation. Approaches based on these techniques may represent the new horizon in cardiology with an appropriate 180‐degree turn perspective. J. Cell. Physiol. 231: 1849–1851, 2016. © 2016 Wiley Periodicals, Inc.
Prognosis after surgical treatment for pancreatic cancer in patients aged 80 years or older: a multicenter study
Authors: Sho Masayuki , Murakami Yoshiaki , Kawai Manabu , Motoi Fuyuhiko , Satoi Sohei , Matsumoto Ippei , Honda Goro , Uemura Kenichiro , Yanagimoto Hiroaki , Kurata Masanao , Akahori Takahiro , Kinoshita Shoichi , Nagai Minako , Nishiwada Satoshi , Fukumoto Takumi , Unno Michiaki , Yamaue Hiroki , Nakajima Yoshiyuki
Published: January 2016

Background

The optimal therapeutic strategy for very elderly pancreatic cancer patients remains to be determined. The aim of this study was to clarify the role of pancreatic resection in patients 80 years of age or older.

Methods

A retrospective multicenter analysis of 1401 patients who had undergone pancreatic resection for pancreatic cancer was performed. The patients aged ≥80 years (n = 99) were compared with a control group <80 years of age (n = 1302).

Results

There were no significant differences in the postoperative complications and mortality between the two groups. However, the prognosis of octogenarians was poorer than that of younger patients for both resectable and borderline resectable tumors. Importantly, there were few long‐term survivors in the elderly group, especially among those with borderline resectable pancreatic cancer. A multivariate analysis of the prognostic factors in the very elderly patients indicated that the completion of adjuvant chemotherapy was the only significant factor. In addition, preoperative albumin level was the only independent risk factor for a failure to complete adjuvant chemotherapy.

Conclusion

This study demonstrates that the postoperative prognosis in octogenarian patients was not good as that in younger patients possibly due to less frequent completion of adjuvant chemotherapy.
Lateral collateral ligament deficiency of the elbow joint: A modeling approach
Authors: Rahman Munsur , Cil Akin , Bogener James W. , Stylianou Antonis P.
Published: January 2016

A computational model capable of predicting the effects of lateral collateral ligament deficiency of the elbow joint would be a valuable tool for surgical planning and prediction of the long‐term consequences of ligament deficiency. The purpose of this study was to simulate lateral collateral ligament deficiency during passive flexion using a computational multibody elbow joint model and investigate the effects of ligament insufficiency on the kinematics, ligament loads, and articular contact characteristics (area, pressure). The elbow was placed initially at approximately 20° of flexion and a 345 mm vertical downward motion profile was applied over 40 s to the humerus head. The vertical displacement induced flexion from the initial position to a maximum flexion angle of 135°. The study included simulations for intact, radial collateral ligament deficient, lateral ulnar collateral ligament deficient, and combined radial and lateral ulnar collateral ligament deficient elbow. For each condition, relative bone kinematics, contact pressure, contact area, and intact ligament forces were predicted. Intact and isolated radial collateral ligament deficient elbow simulations were almost identical for all observed outcomes. Minor differences in kinematics, contact area and pressure were observed for the isolated lateral ulnar collateral ligament deficient elbow compared to the intact elbow, but no elbow dislocation was detected. However, sectioning both ligaments together induced substantial differences in kinematics, contact area, and contact pressure, and caused complete dislocation of the elbow joint. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1645–1655, 2016.
Investigation of ro‐vibrational spectra of small hydrocarbons at elevated temperatures using infrared degenerate four‐wave mixing
Authors: Sahlberg Anna‐Lena , Zhou Jianfeng , Aldén Marcus , Li Zhongshan
Published: January 2016

The ro‐vibrational spectra around 3 µm of four small hydrocarbons (C2H2, CH4, C2H6 and C2H4) at 296, 550 and 820 K have been investigated using infrared degenerate four‐wave mixing (IR‐DFWM). The spectra were recorded in gas flows of nitrogen with small admixtures of the hydrocarbons. A fused silica glass tube surrounded by an electric heating wire was used to heat the gas flows. The recorded IR‐DFWM spectra are compared with simulations using the spectral information available in the HITRAN database, in order to identify spectral lines. The measurements demonstrate good signal to noise ratio and good sensitivity even at elevated temperatures. Several weak hot lines were detected that are not included in the current database. This paper demonstrates the potential of IR‐DFWM for purposes of investigating spectral lines at elevated temperatures, which is often a challenging task with conventional absorption spectroscopy techniques. The possibility of applying IR‐DFWM for combustion diagnostics of small hydrocarbons is discussed from the detection limits of the measurements and the potential water line interference. Because of the non‐linear nature of the DFWM technique, it provides much higher contrast for strong lines of small molecules over backgrounds of high‐density weak lines, which commonly exist in hot gas flows of thermochemical reactions. Copyright © 2016 John Wiley & Sons, Ltd.
Evaluation of the dual retention properties of stationary phases based on silica hydride: Perfluorinated bonded material
Authors: Pesek Joseph J. , Matyska Maria T. , Natekar Harshada
Published: January 2016

The synthesis of a new perfluorinated stationary phase based on silica hydride using a hydrosilation reaction was investigated. The material was characterized by elemental analysis, diffuse reflectance infrared Fourier transform spectroscopy and 13C cross‐polarization magic‐angle spinning NMR spectroscopy. The retention properties of this new material were tested in the reversed‐phase and normal‐phase mode. Variable buffer strength experiments at two pH conditions for selected polar compounds were used to compare the new phase to hydrophilic interaction liquid chromatography retention. These results and previous data reported in the literature were used to postulate differences in the retention mechanism between hydrophilic interaction liquid chromatography and silica hydride‐based stationary phases.
Long‐Term Trajectories of PTSD in Vietnam‐Era Veterans: The Course and Consequences of PTSD in Twins
Authors: Magruder Kathryn M. , Goldberg Jack , Forsberg Christopher W. , Friedman Matthew J. , Litz Brett T. , Vaccarino Viola , Heagerty Patrick J. , Gleason Theresa C. , Huang Grant D. , Smith Nicholas L.
Published: January 2016

We estimated the temporal course of posttraumatic stress disorder (PTSD) in Vietnam‐era veterans using a national sample of male twins with a 20‐year follow‐up. The complete sample included those twins with a PTSD diagnostic assessment in 1992 and who completed a DSM‐IV PTSD diagnostic assessment and a self‐report PTSD checklist in 2012 (n = 4,138). Using PTSD diagnostic data, we classified veterans into 5 mutually exclusive groups, including those who never had PTSD, and 4 PTSD trajectory groups: (a) early recovery, (b) late recovery, (c) late onset, and (d) chronic. The majority of veterans remained unaffected by PTSD throughout their lives (79.05% of those with theater service, 90.85% of those with nontheater service); however, an important minority (10.50% of theater veterans, 4.45% of nontheater veterans) in 2012 had current PTSD that was either late onset (6.55% theater, 3.29% nontheater) or chronic (3.95% theater, 1.16% nontheater). The distribution of trajectories was significantly different by theater service (p < .001). PTSD remains a prominent issue for many Vietnam‐era veterans, especially for those who served in Vietnam.
Simultaneous Time‐Resolved SAXS and WAXS Study on Guest Exchange Process of Syndiotactic Polystyrene with Aromatic Compounds: Size and Shape Effects of Target Molecules
Authors: Kaneko Fumitoshi , Seto Naoki , Sato Shuma , Sakurai Shinichi
Published: January 2016

One of the important characteristics of syndiotactic polystyrene (sPS) is that it forms cocrystals with a variety of chemical compounds. The guest exchange procedure is an effective method to introduce diverse chemical compounds into the crystalline region of sPS cocrystals; it enables sPS to form cocrystals even with chemical compounds that are difficult to incorporate into the crystalline region by usual crystallization. The original guest in the sPS cocrystal is replaced by another chemical when exposed to a vapor, a liquid or a solution of the new guest. In order to study the characteristics of the guest exchange process initiated by exposure to a liquid, simultaneous time resolved SAXS and WAXS measurements were carried out to follow the structure changes during the guest exchange process. A series of aromatic compounds, benzene, toluene, xylene (o‐ and p‐isomers) and mesitylene were employed as new guests. The simultaneous measurements enabled gathering information concerning both the higher order structure and the cocrystal structure. The exchange from the old guest to the new guest was also followed by FTIR spectroscopy. It is clarified that not only the size of the new guest molecules but also the molecular shape has a significant influence on the guest exchange behavior. It is also suggested that on the liquid‐phase guest exchange an expansion of the lamellar period somewhat precedes the guest exchange in the crystalline lamellae.
Characterization of Syndiotactic Polystyrene Nanofilms by PM‐IRRAS Spectroscopy
Authors: Daniel Christophe , Lardone Margherita
Published: January 2016

Nano syndiotactic polystyrene (s‐PS) films prepared by casting and spin‐coating of diluted solutions have been characterized by Polarization Modulated Infra‐red Reflection Absorption Spectroscopy (PM‐IRRAS). In this work it will be shown that PM‐IRRAS allows a complete characterization of s‐PS nanofilms polymorphism. In particular PM‐IRRAS is not only capable to investigate the polymeric chain conformational ordering but is also sensible to the crystalline chain packing. It will be also shown that PM‐IRRAS allows the study of uniplanar orientation obtained in s‐PS nanofilms.
Development of new host‐specific Bacteroides qPCRs for the identification of fecal contamination sources in water
Authors: Gómez‐Doñate Marta , Casanovas‐Massana Arnau , Muniesa Maite , Blanch Anicet R.
Published: January 2016

Bacteroides spp. have been proposed as indicators of fecal contamination in microbial source tracking (MST) methodologies. The aim of this study was to develop new qPCR assays that target host‐specific Bacteroidal 16S ribosomal RNA genes, to determine the source of fecal contamination in water. Denaturing gradient gel electrophoresis (DGGE) was used to select for host‐specific bands of Bacteroides associated with a fecal pollution source and later to design four qPCR host‐specific assays. A set of common primers for Bacteroides spp., four different Bacteroides spp. host‐associated hydrolysis probes (human, cattle, pig, and poultry), and one hydrolysis probe for the Bacteroides genus were designed. This set of qPCR assays together with other previously developed Bacteroidetes MST targets were used to analyze water samples with fecal contamination from the four sources studied. The host‐specific Bacteroides qPCRs designed for human (HMprobeBac), pig (PGprobeBac), and poultry (PLprobeBac) were highly specific for its sources (1.0, 0.97, and 1.0, respectively) although its sensitivity was lower (0.45, 0.50, and 0.73, respectively). The cattle‐specific qPCR was totally unspecific and was discarded for future experiments. When compared to previously designed assays, the human and pig qPCRs showed better accuracies (0.86 and 0.84) than their counterparts HF183 and Pig‐2‐Bac (0.38 and 0.65). Thus, the newly designed human, pig, and poultry qPCR assays outperform other methods developed until date and may be useful for source tracking purposes.