bluuebunny/crossref_metadata_2025_split huggingface dataset:
Water Splitting for High‐Yield Hydrogen Production Energized by Biomass Xylooligosaccharides Catalyzed by an Enzyme Cocktail
Authors: Moustafa Hanan M. A. , Kim Eui‐Jin , Zhu Zhiguang , Wu Chang‐Hao , Zaghloul Taha I. , Adams Michael W. W. , Zhang Y.‐H. Percival 
Published: August 2016

AbstractGreen hydrogen production through water splitting at low temperatures is highly desired for hydrogen economy. Herein, we demonstrate an in vitro non‐natural enzymatic pathway to utilize the chemical energy stored in xylooligosaccharides from biomass to split water to produce a nearly theoretical yield of H2 (i.e., ≈9.5 H2 per xylose plus water). This pathway was constructed on the basis of the novel activities of phosphopentomutase catalyzing the conversion of d‐xylose 1‐phosphate into d‐xylose 5‐phosphate and of ribose 5‐phosphate isomerase catalyzing the conversions of d‐xylose 5‐phosphate and d‐xylulose 5‐phosphate. This study suggests that the discovery of novel promiscuous enzyme activities is important to implement complicated biotransformations catalyzed by synthetic enzymatic pathways.
Mass Transfer and Liquid‐Film Formation in a Spray Tower for SO2 Removal in Sodium Hydroxide Solution
Authors: Codolo Milene Costa , Bizzo Waldir Antonio 
Published: August 2016

AbstractSpray towers allow for controlling air pollution in which a liquid is sprayed in small droplets to produce a large interfacial area for mass transfer between a gas and a liquid phase. An experimental study of a spray tower for removing SO2 is described. The experiments were carried out under different operating conditions by varying the gas velocity, liquid flow rate, and SO2 concentration. SO2 removal efficiency, volumetric mass transfer coefficient, and liquid‐film formation as a result of the collision of droplets against the tower wall are investigated. Removal efficiency and volumetric mass transfer coefficient are analyzed as a function of gas velocity, liquid flow rate, and SO2 concentration, while liquid‐film formation is evaluated as a function of tower height. The results indicate high removal efficiency. Correlations to predict the volumetric mass transfer coefficient are also proposed.
Solvent‐Driven Conformational Exchange for Amide‐Linked Bichromophoric BODIPY Derivatives
Authors: Thakare Shrikant , Stachelek Patrycja , Mula Soumyaditya , More Ankush B. , Chattopadhyay Subrata , Ray Alok K. , Sekar Nagaiyan , Ziessel Raymond , Harriman Anthony 
Published: August 2016

AbstractThe fluorescence lifetime and quantum yield are seen to depend in an unexpected manner on the nature of the solvent for a pair of tripartite molecules composed of two identical boron dipyrromethene (BODIPY) residues attached to a 1,10‐phenanthroline core. A key feature of these molecular architectures concerns the presence of an amide linkage that connects the BODIPY dye to the heterocyclic platform. The secondary amide derivative is more sensitive to environmental change than is the corresponding tertiary amide. In general, increasing solvent polarity, as measured by the static dielectric constant, above a critical threshold tends to reduce fluorescence but certain hydrogen bond accepting solvents exhibit anomolous behaviour. Fluorescence quenching is believed to arise from light‐induced charge transfer between the two BODIPY dyes, but thermodynamic arguments alone do not explain the experimental findings. Molecular modelling is used to argue that the conformation changes in strongly polar media in such a way as to facilitate improved rates of light‐induced charge transfer. These solvent‐induced changes, however, differ remarkably for the two types of amide.
Synthesis of Pyrrolo[2,3‐d]pyrimidines by Copper‐Mediated Carbomagnesiations of N‐Sulfonyl Ynamides and Application to the Preparation of Rigidin A and a 7‐Azaserotonin Derivative
Authors: Nickel Johannes , Fernández Maitane , Klier Lydia , Knochel Paul 
Published: August 2016

AbstractThe treatment of readily available N‐alkynyl‐5‐iodo‐6‐sulfamido‐pyrimidines with iPrMgCl⋅LiCl followed by a transmetalation with CuCN⋅2 LiCl produces, after intramolecular carbocupration, metalated pyrrolo[2,3‐d]pyrimidines. Quenching of these pyrimidines with allylic halides or acid chlorides results in polyfunctional pyrrolo[2,3‐d]pyrimidines. Further reaction with ICl and a Negishi cross‐coupling, using PEPPSI‐iPr as the catalyst, furnishes fully substituted N‐heterocycles. A formal synthesis of the marine alkaloid rigidin A has been achieved as well as the preparation of a derivative of 7‐azaserotonine, related to the natural hormone serotonin.
Ruthenium Metal–Organic Frameworks with Different Defect Types: Influence on Porosity, Sorption, and Catalytic Properties
Authors: Zhang Wenhua , Kauer Max , Halbherr Olesia , Epp Konstantin , Guo Penghu , Gonzalez Miguel I. , Xiao Dianne J. , Wiktor Christian , LIabrés i Xamena Francesc X. , Wöll Christof , Wang Yuemin , Muhler Martin , Fischer Roland A. 
Published: August 2016

AbstractBy employing the mixed‐component, solid‐solution approach, various functionalized ditopic isophthalate (ip) defect‐generating linkers denoted 5‐X‐ipH2, where X=OH (1), H (2), NH2 (3), Br (4), were introduced into the mixed‐valent ruthenium analogue of [Cu3(btc)2]n (HKUST‐1, btc=benzene‐1,3,5‐tricarboxylate) to yield Ru‐DEMOFs (defect‐engineered metal–organic frameworks) of the general empirical formula [Ru3(btc)2−x(5‐X‐ip)xYy]n. Framework incorporation of 5‐X‐ip was confirmed by powder XRD, FTIR spectroscopy, ultrahigh‐vacuum IR spectroscopy, thermogravimetric analysis, 1H NMR spectroscopy, N2 sorption, and X‐ray absorption near edge structure. Interestingly, Ru‐DEMOF 1 c with 32 % framework incorporation of 5‐OH‐ip shows the highest BET surface area (≈1300 m2 g−1, N2 adsorption, 77 K) among all materials (including the parent framework [Ru3(btc)2Yy]n). The characterization data are consistent with two kinds of structural defects induced by framework incorporation of 5‐X‐ip: modified paddlewheel nodes featuring reduced ruthenium sites (Ruδ+, 0<δ<2, type A) and missing nodes leading to enhanced porosity (type B). Their relative abundances depend on the choice of the functional group X in the defect linkers. Defects A and B also appeared to play a key role in sorption of small molecules (i.e., CO2, CO, H2) and the catalytic properties of the materials (i.e., ethylene dimerization and the Paal–Knorr reaction).
Exploring the Slow Relaxation of the Magnetization in CoIII‐Decorated {DyIII2} Units
Authors: Funes Alejandro V. , Carrella Luca , Rentschler Eva , Alborés Pablo 
Published: August 2016

AbstractWe have prepared and structurally characterized a new member of the butterfly‐like {CoIII2DyIII2} single‐molecule magnets (SMMs) through further CoIII decoration, with the formula [CoIII4DyIII2(OH)2(teaH)2(tea)2(Piv)6] (teaH3=triethanolamine; Piv=trimethylacetate or pivalate). Direct current (DC) susceptibility and magnetization measurements were performed allowing the extraction of possible crystal‐field parameters. A simple electrostatic modeling shows reasonable agreement with experimental data. Alternating current (AC) susceptibility measurements under a zero DC field and under small applied fields were performed at different frequencies (i.e., 10–1500 Hz) and at low temperatures (i.e., 2–10 K). Multiple magnetization relaxation pathways are observed. Comparison with previously reported {CoIII2DyIII2} complex measurements allows an overall discussion about the origin of the dynamic behavior and its relationship with crystal‐field split ground multiplet sublevels.
Unraveling the Amine‐Induced Disproportionation Reaction of Perchlorinated Silanes—A DFT Study
Authors: Schweizer Julia I. , Meyer Lioba , Nadj Andor , Diefenbach Martin , Holthausen Max C. 
Published: August 2016

AbstractA detailed quantum‐chemical study on the amine‐induced disproportionation reaction of perchlorinated silanes toneo‐Si5Cl12is reported. The key intermediate in the resulting mechanistic scenario is a dichlorosilylene amine adduct, which is in tune with recent experimental findings. Yet, at variance with the generally accepted notion of silicon‐chain growth by concerted silylene insertion into Si−Cl bonds of lower silanes, the formation ofneo‐Si5Cl12follows more complex pathways. The reactivity is dominated by the Lewis–base character of the dichlorosilylene amine adduct and characterized by three elementary steps that bear close resemblance to the key elementary steps identified earlier for the chloride‐induced disproportionation of Si2Cl6. NBO and QTAIM analyses of the key reactive species SiCl2⋅NMe3and SiCl3−provide a rationale for these striking similarities.
Rotaxane‐Like Structures Threaded through the Pores of Hollow Porous Nanocapusles
Authors: Dergunov Sergey A. , Ehterami Nasim , Pinkhassik Eugene 
Published: August 2016

AbstractNanocapsules with molecules threaded through the porous shells may lead to advanced cell‐mimicking functional devices. Herein, we show the feasibility of synthesizing such hybrid nanostructures by using vesicle‐templated polymer nanocapsules with controlled nanopores. Ship‐in‐a‐bottle assembly inside a nanocapsule created an internal unit. An external unit was then connected to an entrapped internal unit through pre‐attached linker threaded through a nanopore in the shell of the nanocapsule. Both internal and external units are larger than the pore size and cannot cross the shell, producing a rotaxane‐like structure. Successful synthesis was achieved with fairly short linkers (six and ten carbon atoms in a chain), creating an opportunity for facile synthesis of functional devices capable of cross‐shell communication.
Nitroxide Radical Spin Probes for Exploring Halogen‐Bonding Interactions in Solution
Authors: Gualandi Lorenzo , Mezzina Elisabetta , Franchi Paola , Lucarini Marco 
Published: August 2016

AbstractThe synthesis of 2,3,5,6‐tetrafluoro‐4‐iodobenzyl tert‐butyl nitroxide (2‐I) and its use as spin probe for the detection of halogen‐bond (XB) complexes by EPR is reported. Formation of a XB complex between 2‐I and several XB acceptors was evidenced by a significant change in the value of the benzylic hyperfine splitting upon complexation. Thermodynamic parameters for the formation of XB complex with quinuclidine were obtained by recording EPR spectra in the temperature range 203–294 K. In addition, competitive experiments allowed for the measurement of the equilibrium constant of the XB complex with a chloride anion. The proposed procedure constitutes the first direct EPR methodology providing a reliable determination of the strength of the XB bond in solution.
Frailty as determined by a comprehensive geriatric assessment‐derived deficit‐accumulation index in older patients with cancer who receive chemotherapy
Authors: Cohen Harvey Jay , Smith David , Sun Can‐Lan , Tew William , Mohile Supriya G. , Owusu Cynthia , Klepin Heidi D. , Gross Cary P. , Lichtman Stuart M. , Gajra Ajeet , Filo Julie , Katheria Vani , Hurria Arti ,   for the Cancer and Aging Research Group
Published: August 2016

BACKGROUNDFrailty has been suggested as a construct for oncologists to consider in treating older cancer patients. Therefore, the authors assessed the potential of creating a deficit‐accumulation frailty index (DAFI) from a largely self‐administered comprehensive geriatric assessment (CGA).METHODSFive hundred patients aged ≥65 years underwent a CGA before receiving chemotherapy. A DAFI was constructed, resulting in a 51‐item scale, and cutoff values were examined for patients in the robust/nonfrail (cutoff value, 0.0 < 0.2), prefrail (cutoff value, 0.2 < 0.35), and frail (cutoff value, ≥ 0.35) groups.RESULTSTwo hundred and fifty patients (50%) were nonfrail, 197 (39%) were prefrail, and 52 (11%) were frail. Older patients (aged ≥ 80 years) and those who had lower education, were living alone, and had higher stage disease were associated with prefrail/frail status. Prefrail/frail patients were more likely to have grade ≥3 toxicity but not to have a dose delay or reduction, and they were more likely to discontinue drug and be hospitalized. The association with grade ≥3 toxicity was attenuated by controlling for a toxicity risk calculator, but the other outcomes were not.CONCLUSIONSA deficit‐accumulation frailty index can be constructed from a CGA in older patients with cancer and can indicate the frailty status of the population. The frailty status so determined is associated both with outcomes likely because of chemotherapy toxicity and with those likely because of age‐related physiologic and functional deficits and thus can be useful in the overall assessment of the patient. Cancer 2016;122:3865–3872. © 2016 American Cancer Society.
Ordered Mesoporous Polymers for Biomass Conversions and Cross‐Coupling Reactions
Authors: Liu Fujian , Wu Qin , Liu Chen , Qi Chenze , Huang Kuan , Zheng Anmin , Dai Sheng 
Published: August 2016

AbstractAmino group‐functionalized, ordered mesoporous polymers (OMP‐NH2) were prepared using a solvent‐free synthesis by grinding mixtures of solid raw precursors (aminophenol, terephthaldehyde), using block copolymer templates, and curing at 140–180 °C. OMP‐NH2 was functionalized with acidic sites and incorporated with palladium, giving multifunctional solid catalysts with large Brunauer–Emmett–Teller (BET) surface areas, abundant and ordered mesopores, good thermal stabilities, controllable concentrations, and good dispersion of active centers. The resultant solid catalysts showed excellent catalytic activities and good reusability in biomass conversions and cross‐coupling reactions—much superior to those of various reported solid catalysts such as Amberlyst 15, SBA‐15‐SO3H, and Pd/C and comparable to those of homogeneous catalysts such as heteropoly acid, HCl, and palladium acetate. A facile green approach was developed for the synthesis of ordered mesoporous polymeric solid catalysts with excellent activities for conversion of low‐cost feedstocks into useful chemicals and clean biofuels.
New approach for spacing of movement joints in reinforced and unreinforced masonry veneer walls. Part 1: Unreinforced masonry / Neue Bemessungsmethode für die Abstände von Dehnungsfugen in bewehrten und unbewehrten Verblendmauerwerksschalen. Teil 1: Unbewehrtes Mauerwerk
Authors: Martens Dirk R.W. 
Published: August 2016

AbstractThe spacing of movement joints has been subject of many discussions. The current methods for the determination of the spacing of movement joints are based on local traditions and bad experience with cracked veneer walls. This has resulted in various design rules throughout Europe with very stringent limits for spacing of movement joints. According to EC6, one of the solutions for increasing the spacing of movement joints is to introduce bed joint reinforcement, although unfortunately no specific design rules are given. Until now, most scientific research has been focused on numerical simulations without taking time‐dependent effects into account, which is a conservative approach. In this paper, a new approach is described. It is based on Peter Schubert's model and on practical experience with masonry buildings.
Bond behaviour between textile reinforcement and mortar under tensile loading / Verbundverhalten zwischen textiler Bewehrung und Mörtel unter Zugbeanspruchung
Authors: Saenger Dorothea , Brameshuber Wolfgang 
Published: August 2016

AbstractExtensive experimental investigations are currently being carried out on various selected materials covering a wide range of properties to achieve a deeper knowledge about the bond performance of textile reinforced mortar (TRM) for masonry strengthening. The objective of the tests includes investigations of the bonding behaviour between alkali‐resistant glass textile reinforcement and mortar under tensile loading to determine the required anchorage and overlapping lengths of the reinforcement in the mortar‐based material. This article describes the test methods used as well as the results obtained so far. This research will also examine debonding of the mortar‐based reinforcement system and the masonry surface under shear load. The definition of these bond parameters is necessary for the design of textile‐reinforced masonry components, which will be developed in the near future. The research is also intended to contribute to the finding or even designing of matching alkali‐resistant glass textiles specifically for use in masonry.
Bracing systems in masonry buildings. Part 1: Simple application of FE programs / Aussteifungssysteme im Mauerwerksbau. Teil 1: Einfache Anwendung von FE‐Programmen
Authors: Sommerlade Kai , Seim Werner 
Published: August 2016

AbstractDue to the low tensile strength of masonry perpendicular to the bed joint, masonry wall panels have non‐linear material properties. Assuming simple elastic constitutive laws, this article presents two modelling variants, which consider the lack of tensile strength in a simple manner. Both variants are investigated for their advantages and disadvantages. In a second part of the article, the application of the methods will be illustrated through the example of a four‐storey building.
Risk of HSIL (CIN 2–3) on colposcopic biopsy is minimal in postmenopausal women with LSIL on cytology and a negative HRHPV test
Authors: Ozturk Mustafa , Umudum Haldun , Alanbay Ibrahim , Ulubay Mustafa , Fidan Ulas , Dede Murat , Yenen Müfit Cemal 
Published: August 2016

BackgroundCurrent cervical cancer screening guidelines recommend a 1‐year follow‐up period for patients with a postmenopausal low‐grade squamous intraepithelial lesion (LSIL) who are test negative for high‐risk human papillomavirus (HrHPV). The aim of this study was to assess whether such patients had an increased immediate risk of high‐grade squamous intraepithelial lesion.MethodsWe assessed 54 HrHPV‐negative women with postmenopausal LSIL in the Department of Obstetrics and Gynecology of our hospital between 2012 and 2013. All patients underwent liquid‐based cytology and reflex HrHPV testing (for human papillomavirus [HPV] types 16, 18, 31, 33, 35, 39, 45, 51, 52, 56, 58, 59, 66, and 68). Colposcopic examination and guided biopsy were performed by the same gynecologist (MO).ResultsThe average age of the patients was 53.1 ± 3.2 years. There were 33 patients (61%) with cervical intraepithelial neoplasia (CIN) grade 1 and 21 who were non‐dysplastic. None of the patients was positive for CIN 2 or any other lesions.ConclusionsIf the HPV test is negative, repeat cytology after 12 months is recommended by the American Society for Colposcopy and Cervical Pathology for cases of HrHPV‐negative postmenopausal LSIL. We recommend reflex HPV testing as the best choice for patients who test positive for postmenopausal LSIL by Pap smear, in line with the literature. Diagn. Cytopathol. 2016;44:969–974. © 2016 Wiley Periodicals, Inc.
Transitioning from DSM‐IV to DSM‐5: A systematic review of eating disorder prevalence assessment
Authors: Lindvall Dahlgren Camilla , Wisting Line 
Published: August 2016

ABSTRACTObjectiveThe objective of this study was to systematically review the literature on assessment of eating disorder prevalence during the DSM‐IV era (1994–2015).MethodA PubMed search was conducted targeting articles on prevalence, incidence and epidemiology of eating disorders. The review was performed in accordance with PRISMA guidelines, and was limited to DSM‐IV based eating disorder diagnoses published between 1994 and 2015.ResultsA total of 74 studies fulfilled inclusion criteria and were included in the study. Results yielded evidence of over 40 different assessment instruments used to assess eating disorder prevalence, with the EAT‐40 being the most commonly used screening instrument, and the SCID being the most frequently used interview. The vast majority of studies employed two‐stage designs, closely followed by clinical interviews. Observations of higher prevalence rates were found in studies employing self‐reports compared to two‐stage designs and interviews.DiscussionEating disorder prevalence rates have varied significantly during the DSM‐IV era, and are dependent on assessment methods used and samples investigated. Following the transition to the DSM‐5, eating disorder prevalence will change, warranting novel approaches to assessment and treatment planning. © 2016 Wiley Periodicals, Inc.
Examination of parental dieting and comments as risk factors for increased drive for thinness in men and women at 20‐year follow‐up
Authors: Klein Kelly M. , Brown Tiffany A. , Kennedy Grace A. , Keel Pamela K. 
Published: August 2016

ABSTRACTObjectivePopular beliefs suggest that parents influence children's eating disorder risk through modeling pathological behaviors and attitudes, and this history may contribute to disordered eating in adulthood. However, the empirical basis for this popular thinking is limited by a reliance on cross‐sectional designs that do not distinguish between maternal and paternal influences and use primarily child and adolescent samples. To address these limitations, the present study examined the impact of maternal and paternal dieting and comments about weight and eating, as reported by late adolescents, on the eating pathology of those late adolescents at 20‐year follow‐up.MethodData were drawn from a longitudinal epidemiological study of health and eating patterns in a cohort of randomly sampled college students established in 1992 (N = 799; mean age: 19.87 [±1.64] years; 70.8% women) and followed 20 years later in 2012 (N = 539).ResultsAt baseline, there were no gender differences in reported rates of maternal or paternal dieting. Both men and women reported higher levels of maternal versus paternal dieting. Further, women endorsed higher levels of maternal and paternal comments on their own weight and eating. A multivariable model in women supported that maternal dieting and paternal comments significantly predicted drive for thinness at follow‐up. No parental variables predicted drive for thinness in men at follow‐up.DiscussionWhile our study supports parental influence on children's eating attitudes, it suggests a need to consider gender and mode of influence. Prevention efforts focused on challenging cultural standards of appearance may benefit from incorporation of parents. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:490–497)