bluuebunny/crossref_metadata_2025_split huggingface dataset:
The consistency of circadian blood pressure and heart rate patterns over three months in women employed in sedentary office jobs
Authors: Niclou Alexandra M. , James Gary D. , Bovbjerg Dana H. 
Published: September 2018

AbstractObjectivesThe purpose of this study was to evaluate the consistency of the circadian patterns of blood pressure (BP) and heart rate (HR) variation over a three‐month time frame in women employed outside the home.MethodsThe subjects were 157 healthy women of varying ethnicity (age = 38.2 ± 8.9) who all worked in similar positions at two major medical centers in New York City. Each wore an ambulatory BP monitor during the course of three mid‐week work days approximately one month apart. Hourly BPs and HRs were calculated from 9 am to 6 am the following morning and compared among the three days using anova and t tests.ResultsThe results indicate that there were virtually no differences in the mean hourly levels of any parameter during the waking period across the three days of assessment. However, mean hourly levels of systolic BP significantly declined from 12 pm to 4 am (P < .04, P = .001, P < .001, P = .001, P = .009, respectively) on the third assessment day compared to the first.ConclusionsBecause BP and HR respond to environmental demands in an allostatic fashion, the consistency in the waking patterns of BP and HR variation suggest that the patterns of demands on a workday are reasonably stable in this sample of women. The decline in systolic pressures from 12 pm to 4 am over the three assessments may indicate an improving ability to sleep with the monitor over time.
An Efficient Anti‐poisoning Catalyst against SOx, NOx, and POx: P, N‐Doped Carbon for Oxygen Reduction in Acidic Media
Authors: Najam Tayyaba , Shah Syed Shoaib Ahmad , Ding Wei , Jiang Jinxia , Jia Li , Yao Wang , Li Li , Wei Zidong 
Published: September 2018

AbstractElectrocatalysts are readily poisoned during the catalysis of the oxygen reduction reaction (ORR); even air containing traces of SOx and/or NOx significantly decrease the activity and the durability of H2–O2 fuel cells. Now, a metal‐free strategy is reported to develop an efficient anti‐poisoning ORR catalyst, which involves the pyrolysis of PDAP‐phytic acid super‐molecular aggregate (PPSA). The pyrolyzed co‐doped carbon acting as a metal‐free electrocatalyst shows an enhanced activity for ORR in acidic medium, even under poisoning conditions (SOx, NOx, and POx). Moreover, P‐doping also changes the ORR pathway by yielding less than 4 % of H2O2, indicating a four‐electron pathway whereas more than>20 % of H2O2 was recorded for N‐doped carbon synthesized from PDAP.
Chelatisierte Diborene und ihre Diels‐Alder‐Reaktionen mit Dienen unter inversem Elektronenbedarf
Authors: Stennett Tom E. , Mattock James D. , Pentecost Leanne , Vargas Alfredo , Braunschweig Holger 
Published: September 2018

AbstractEin doppelt basenstabilisiertes Diboran, mit Benzylphosphan, wurde mittels einer Salzeliminierung zwischen 2‐LiC6H4CH2PCy2⋅Et2O und B2Br4 dargestellt. Diese Verbindung wurde mit KC8 zu dem entsprechenden Diboren reduziert, bei dem das Benzylphosphan einen fünfgliedrigen Chelatring bildet. Das Diboren reagiert mit Butadien, 2‐Trimethylsiloxy‐1,3‐butadien und Isopren unter Bildung von 4,5‐Diboracyclohexenen, welche zwischen ihren 1,1‐ (geminal) und 1,2‐ (vicinal) chelatisierten Isomeren umlagern. Bei dem 1,1‐chelatisierten Diboren findet eine Halogenid‐katalysierte Isomerisierung zum thermodynamisch begünstigten 1,2‐Isomer statt, welches im Vergleich zum kinetischen Produkt langsamere Diels‐Alder‐Reaktionen eingeht.
C−H Bond Activation for the Synthesis of Heterocyclic Atropisomers Yields Hedgehog Pathway Inhibitors
Authors: Shan Gang , Flegel Jana , Li Houhua , Merten Christian , Ziegler Slava , Antonchick Andrey P. , Waldmann Herbert 
Published: September 2018

AbstractAxially chiral 4‐arylisoquinolones are endowed with pronounced bioactivity, and methods for their efficient synthesis have gained widespread attention. However, enantioselective synthesis of axially chiral 4‐arylisoquinolones by means of C−H activation has not been reported to date. Described here is a rhodium (III)‐catalyzed C−H bond activation and annulation for the atroposelective synthesis of axially chiral 4‐arylisoquinolones. The method employs chiral cyclopentadienyl ligands embodying a piperidine ring as backbone and yields the atropisomers with good to excellent yields and enantioselectivity. Biological relevance of the 4‐arylisoquinolones was demonstrated by their investigation in different cellular assays, leading to the discovery of novel non‐SMO (SMO= smoothened) binding Hedgehog pathway inhibitors.
The True Fate of Pyridinium in the Reportedly Pyridinium‐Catalyzed Carbon Dioxide Electroreduction on Platinum
Authors: Olu Pierre‐Yves , Li Qi , Krischer Katharina 
Published: September 2018

AbstractProtonated pyridine (PyH+) has been reported to act as a peculiar and promising catalyst for the direct electroreduction of CO2 to methanol and/or formate. Because of recent strong incentives to turn CO2 into valuable products, this claim triggered great interest, prompting many experiments and DFT simulations. However, when performing the electrolysis in near‐neutral pH electrolyte, the local pH around the platinum electrode can easily increase, leading to Py and HCO3− being the predominant species next to the Pt electrode instead of PyH+ and CO2. Using a carefully designed electrolysis setup which overcomes the local pH shift issue, we demonstrate that protonated pyridine undergoes a complete hydrogenation into piperidine upon mild reductive conditions (near 0 V vs. RHE). The reduction of the PyH+ ring occurs with and without the presence of CO2 in the electrolyte, and no sign of CO2 electroreduction products was observed, strongly questioning that PyH+ acts as a catalyst for CO2 electroreduction.
Titanium‐Carboxylate Metal‐Organic Framework Based on an Unprecedented Ti‐Oxo Chain Cluster
Authors: Keum Yesub , Park Seonghun , Chen Ying‐Pin , Park Jinhee 
Published: September 2018

AbstractTitanium(IV)‐based metal‐organic frameworks (Ti‐MOFs) have received significant attention in recent years due to their numerous photocatalytic applications. We herein prepare the single‐crystalline Ti‐carboxylate MOF (DGIST‐1) composed of an unprecedented Ti‐oxo chain cluster and the porphyrinic ligand, TCPP (tetrakis(4‐carboxyphenyl)porphyrin). Preformed Ti‐oxo clusters were used as Ti4+ sources to avoid the spontaneous hydrolysis and condensation reactions of traditional Ti‐alkoxide precursors, thus, enabling the formation of the highly crystalline Ti‐MOF. The successfully activated DGIST‐1 exhibited a higher surface area (i.e., 1957.3 m2 g−1) than previously reported Ti‐MOFs due to its high crystallinity. Furthermore, the visible‐light‐responsive photocatalytic activity of DGIST‐1 was confirmed by the simultaneous generation of singlet oxygen (1O2) and superoxide (.O2−) species, in addition to the highly efficient and selective oxidation of benzyl alcohol to benzaldehyde.
Is it Useful to Repeat Magnetic Resonance Imaging of the Sacroiliac Joints After Three Months or One Year in the Diagnosis of Patients With Chronic Back Pain and Suspected Axial Spondyloarthritis?
Authors: Bakker P. A. C. , Ramiro S. , Ez‐Zaitouni Z. , van Lunteren M. , Berg I. J. , Landewé R. , Ramonda R. , van Oosterhout M. , Reijnierse M. , van Gaalen F. A. , van der Heijde D. 
Published: September 2018

ObjectiveTo investigate the value of repeated magnetic resonance imaging (MRI) of the sacroiliac (SI) joints in diagnosing chronic back pain patients in whom axial spondyloarthritis (SpA) is suspected and to examine determinants of positive MRI findings in SI joints.MethodsPatients with chronic back pain (duration 3 months–2 years, age ≥16 years, age at onset <45 years) with ≥1 SpA feature who were included in the Spondyloarthritis Caught Early cohort underwent visits at baseline, at 3 months, and at 1 year. Visits included an evaluation of all SpA features and repeated MRI of SI joints. MRI‐detected axial SpA positivity (according to the definition from the Assessment of SpondyloArthritis international Society) was evaluated by 2 or 3 well‐trained readers who were blinded with regard to clinical information. The likelihood of a positive MRI finding at follow‐up visits (taking into consideration contributing factors) was calculated by generalized estimating equation analysis.ResultsOf the 188 patients, 38.3% were male, the mean ± SD age was 31.0 ± 8.2 years, and the mean ± SD symptom duration was 13.2 ± 7.1 months. Thirty‐one patients (16.5%) had positive MRI findings in the SI joints at baseline. After 3 months and after 1 year, the MRI results had changed from positive to negative in 3 of 27 patients (11.1%) and 11 of 29 patients (37.9%), respectively, which was attributable in part to the initiation of anti–tumor necrosis factor therapy. Status changes from negative to positive were seen in 5 of 116 patients (4.3%) after 3 months and in 10 of 138 patients (7.2%) after 1 year. HLA–B27 positivity and male sex were independent determinants of the likelihood of a positive MRI scan at any time point (42% in HLA–B27+ men and 6% in HLA–B27− women). If the baseline results were negative, the likelihood of a positive scan at follow‐up was very low (≤7%).ConclusionMRI‐detected status changes in the SI joints were seen in a minority of the patients, and both male sex and HLA–B27 positivity were important predictors of MRI positivity. Our findings indicate that conducting MRI scans after 3 months or after 1 year in patients with suspected early axial SpA is not diagnostically useful.
A matter of control or identity? Family firms' environmental reporting decisions along the corporate life cycle
Authors: Arena Claudia , Michelon Giovanna 
Published: September 2018

AbstractBuilding on the socioemotional wealth (SEW) perspective, this study explores environmental disclosure (ED) practices in family firms and investigates whether the firm's life cycle stage plays a moderating role in these practices. We focus on two dimensions of the SEW: family control and influence and family identity. To the extent that different types of family‐controlled firms have different reporting behaviors based on their primary SEW dimension, they will undertake the ED strategies that allow them to preserve their SEW. Using a sample of listed firms from the Milan Stock Exchange, we show that family firms for which the family control and influence SEW dimension is most salient provide less environmental information than non‐family firms and that this effect is weakened along the family firm's life cycle. Our findings also indicate that middle‐aged family firms, where the family identity dimension prevails, provide more ED than do non‐family firms. Our study contributes to knowledge about how the socioemotional endowment affects family firms' reporting behavior.
A Single Amino Acid Substitution in Therminator DNA Polymerase Increases Incorporation Efficiency of Deoxyxylonucleotides
Authors: Bauwens Boris , Rozenski Jef , Herdewijn Piet , Robben Johan 
Published: September 2018

AbstractDeoxyxylonucleic acid (dxNA) is a synthetic polymer that might have potential for heredity and evolution. Because of dxNA's unusual backbone geometry, sequence information stored in it is presumed to be inaccessible to natural nucleic acids or proteins. Despite a large structural similarity with natural nucleotides, incorporation of 2′‐deoxyxylonucleotides (dxNTs) through the action of polymerases is limited. We present the identification of a mutant of the DNA polymerase Therminator with increased tolerance to deoxyxylose‐induced backbone distortions. Whereas the original polymerase stops after incorporation of two consecutive dxNTs, the mutant is able to catalyse the extension of incorporated dxNTs with 2′‐deoxyribonucleotides (dNTs) and the incorporation of up to four dxNTs alternates with dNTs, thereby translocating a highly distorted double helix throughout the entire polymerase. A single His‐to‐Arg substitution very close to the catalytic site residues is held to be responsible for interaction with the primer phosphate groups and for stabilizing nucleotide sugar‐induced distortions during incorporation and translocation.
UV Assisted High‐Efficient Synthesis of α‐Ketoamides using Air Promoted by A Non‐Metal Catalyst in Aqueous Solution
Authors: Li Jianhui , He Shaopo , Zhang Kuan , Quan Ziyi , Shan Qiheng , Sun Zhongliang , Wang Bo 
Published: September 2018

AbstractPresented here is the first example of UV (λ=210 nm) promoted procedure proceeding in aqueous media at room temperature using ambient air as the oxidant for efficient synthesis of an array of α‐ketoamides of all types using a non‐metal catalyst N‐iodosuccinimide with a loading of 20 mol%. With UV, oxygen in the air was efficiently utilized as the green oxidant, some control experiments were carried out and a plausible mechanism was proposed, disclosing that in aqueous solution, the oxidation process was actually triggered by dioxygen radical anion (O2.−), while not molecular oxygen. A variety of secondary amines and primary amines as well as ammonia were employed as the amine moieties, and the desired product primary‐, secondary‐, and tertiary α‐ketoamides were afforded in good to excellent yields of up to 96 %.
Dynamic Combinatorial Chemistry: A New Methodology Comes of Age
Authors: Frei Priska , Hevey Rachel , Ernst Beat 
Published: September 2018

AbstractDynamic combinatorial chemistry (DCC) has repeatedly proven to be an effective approach to generate directed ligand libraries for macromolecular targets. In the absence of an external stimulus, a dynamic library forms from reversibly reacting building blocks and reaches a stable thermodynamic equilibrium. However, upon addition of a macromolecular host which can bind and stabilize certain components of the library, the equilibrium composition changes and induces an evolution‐like selection and enrichment of high‐affinity ligands. A valuable application of this so‐called target‐directed DCC (tdDCC) is the identification of potent ligands for pharmacologically relevant targets. Over time, the term tdDCC has been applied to describe a number of different experimental setups, leading to some ambiguity concerning its definition. This article systematically classifies known procedures for tdDCC and related approaches, with a special focus on the methods used for analysis and evaluation of experiments.
High Catalytic Activity of C60Pdn Encapsulated in Metal–Organic Framework UiO‐67, for Tandem Hydrogenation Reaction
Authors: Zheng Deng‐Yue , Zhou Xue‐Meng , Mutyala Suresh , Huang Xiao‐Chun 
Published: September 2018

AbstractMetal nanoparticles (NPs) stabilized by MOFs are very promising for catalysis, whereas introduction of C60 into MOFs has been very rarely used, and there was no report for their cooperative catalysis in organic syntheses. In this work, C60@UiO‐67 was synthesized by a one‐pot method, so that C60 is uniformly distributed on UiO‐67 in molecular form. Pd NPs coordinating with C60 have been successfully embedded into the framework. The obtained multifunctional C60Pdn@UiO‐67 catalyst exhibits remarkable synergistic catalytic activity in cascade reactions under mild conditions, where UiO‐67 affords Lewis acidity and C60Pdn offers higher hydrogenation activity relative to solely Pd NPs.
Bis‐Naphthalene Cleft with Aggregation‐Induced Emission Properties through Lone‐Pair⋅⋅⋅π Interactions
Authors: Wang Li‐Li , Zhou Hang , Yang Ti‐Long , Ke Hua , Tu Yi‐Kuan , Yao Huan , Jiang Wei 
Published: September 2018

AbstractA rigid molecular cleft shows unique aggregation‐induced emission (AIE) by restricting the motion of aldehyde through intermolecular lone pair⋅⋅⋅π interactions, which are tuned by side chains. This AIE luminogen was demonstrated to work as a fluorescent sensor for aniline and an optical chirality sensor for chiral amine.
Actinide‐Based Porphyrinic MOF as a Dehydrogenation Catalyst
Authors: Hu Kong‐Qiu , Huang Zhi‐Wei , Zhang Zhi‐Hui , Mei Lei , Qian Bing‐Bing , Yu Ji‐Pan , Chai Zhi‐Fang , Shi Wei‐Qun 
Published: September 2018

AbstractUranyl–organic frameworks (UOFs) have recently been the object of many research endeavors due to the unique coordination mode of uranyl ions and their attractive physicochemical properties. Here, a new (3,4)‐connected UOF (U‐IHEP‐4) assembled from uranyl and porphyrin ligand tetrakis(4‐carboxyphenyl)porphyrin (H4TCPP) is reported, which represents the first case of actinide porphyrinic MOFs. Adsorption experiments in DMF solution demonstrated that U‐IHEP‐4 selectively adsorbs positively charged dyes, which is in line with its negatively charged framework and large pore volume ratio (90 %). Remarkably, U‐IHEP‐4 exhibited high catalytic activity for the dehydrogenation of N‐heterocycles to synthesize the corresponding aromatic heterocycles and it can be used as an efficient heterogeneous catalyst.
Plasma Catalytical Reactors for Atmospheric Gas Conversions
Authors: Nitsche Tim , Unger Christoph , Weidner Eckhard 
Published: September 2018

AbstractPlasma catalysis, the combination of non‐thermal plasma and catalyst, is a promising approach for optimizing chemical conversions as the removal of gas trace components. The various technological opportunities for the generation of atmospheric non‐thermal plasma combined with the variety of usable catalysts result in a huge amount of different experimental approaches. The aim of the presented review is to give an overview of plasma catalytic reactor designs currently discussed in literature as well as to point out technological differences and potential for up‐scaling.
Methodology for the Evaluation of CO2‐Based Syntheses by Coupling Steel Industry with Chemical Industry
Authors: Stießel Sebastian , Berger Angelina , Fernández Sanchis Elvira María , Ziegmann Markus 
Published: September 2018

AbstractCarbon‐intensive sectors like steel or chemical industry need to reduce their emissions and their dependence on fossil feedstocks to help reaching climate goals. Coupling previously independent sectors by carbon capture and utilization and power‐to‐X technologies are promising concepts. Within the Carbon2Chem® project, a generic approach for the evaluation of various plant configurations with respect to future market and energy scenarios is presented. Economically and ecologically favorable concepts for the recycling of steel mill gases to valuable products, especially methanol, by integrating high amounts of renewable energies are identified for the year 2030.
Dynamic Water Electrolysis in Cross‐Sectoral Processes
Authors: Seibel Christopher , Kuhlmann Jens‐Wilhelm 
Published: September 2018

AbstractA simulation‐based optimization for water electrolysis is performed to identify preferable scenarios with respect to economic as well as ecological aspects. As the electrolyzer interacts with the wholesale electricity market and with the production of bulk chemicals implying each specific dynamic characteristics, various and partly counteracting relevant impulses result in a multi‐objective optimization approach. In order to demonstrate the capability of alkaline electrolytic systems to meet these dynamic demands, a 20‐kW lab‐scale electrolyzer and a 2‐MW large‐scale electrolyzer are commissioned and tested.
Computational aeroacoustics to identify sound sources in the generation of sibilant /s/
Authors: Pont Arnau , Guasch Oriol , Baiges Joan , Codina Ramon , van Hirtum Annemie 
Published: September 2018

AbstractA sibilant fricative /s/ is generated when the turbulent jet in the narrow channel between the tongue blade and the hard palate is deflected downwards through the space between the upper and lower incisors and then impinges the space between the lower incisors and the lower lip. The flow eddies in that region become a source of direct aerodynamic sound, which is also diffracted by the speech articulators and radiated outwards. The numerical simulation of these phenomena is complex. The spectrum of an /s/ typically peaks between 4 and 10 kHz, which implies that very fine computational meshes are needed to capture the eddies producing such high frequencies. In this work, a large‐scale computation of the aeroacoustics of /s/ has been performed for a realistic vocal tract geometry, resorting to two different acoustic analogies. A stabilized finite element method that acts as a large eddy simulation model has been adopted to solve the flow dynamics. Also, a numerical strategy has been implemented that allows the determination, in a single computational run, of the separate contribution of the sound diffracted by the upper incisors from the overall radiated sound. Results are presented for points located close to the lip opening showing the relative influence of the upper teeth depending on frequency.
Recreating the Munsell crayon color spectrum
Authors: Robinson Adi , Fairchild Mark D. 
Published: September 2018

AbstractMunsell crayons were discontinued in 1944 but the concept of the Munsell color wheel is still a part of the Crayola Crayon Company to this day. We performed a set of measurements using an original set of Munsell crayons to see if they still hold their specification and how they compare to the entire available spectrum of the Crayola crayon family. The crayons were melted and measured using a spectrophotometer and the resulting spectra were compared using CIEDE2000. Using a conversion table, the CIELAB coordinates of each crayon were converted to Munsell specification and compared. The results of the experiment show that some Munsell crayons have a similar Crayola counterpart. It also showed that most of the Munsell crayons were not close to their original specifications.
Expression of Recombinant Genes in the Yeast Pichia pastoris
Authors: Cregg James M. , Tolstorukov Ilya , Kusari Anasua , Sunga Anthony Jay , Madden Knut , Chappell Thomas 
Published: September 2018

AbstractThe synthesis of specific recombinant proteins using single‐celled organisms from bacteria to mammalian tissue culture cells has become a major source of biopharmaceutical products for the industry and a source of a wide variety of proteins for academic research. A range of organisms are utilized for this purpose. One of the newest and most promising of these is the yeast Pichia pastoris. This article provides detailed basic protocols for the expression of heterologous genes and the synthesis of recombinant proteins utilizing this yeast. Specifically provided are protocols for the insertion of foreign vector DNAs into the yeast by electroporation, amplification of vector sequences by the post‐translational vector amplification (PTVA) method, and growth and expression of foreign genes in shake flask cultures. © 2018 by John Wiley & Sons, Inc.