bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Transfer Hydrogenation of Furfural to Furfuryl Alcohol by using Ultrasmall Rh Nanoparticles Embedded on Diamine‐Functionalized KIT‐6
Authors: Neeli Chinna Krishna Prasad , Chung Young‐Min , Ahn Wha‐Seung 
Published: August 2017

AbstractA Rh/ED‐KIT‐6 catalyst comprised of Rh nanoparticles embedded on mesoporous silica (KIT‐6) functionalized with N1‐[3‐(trimethoxysilyl)propyl]ethane‐1,2‐diamine was synthesized by Rh3+ adsorption and chemical reduction in the liquid phase. The structure of ED‐KIT‐6 and textural properties of the pristine and supported Rh catalysts, as well as particle size and chemical state of the Rh species were examined by various analytical methods. The homogeneous dispersion of ultrasmall Rh nanoparticles, approximately 1.2 nm in size, stabilized by the grafted diamine (ED) species was confirmed. Rh/ED‐KIT‐6 was applied to the transfer hydrogenation of furfural (FFR) to furfuryl alcohol (FAL) by using formic acid (FA) as the hydrogen source. The effect of the solvent and reaction parameters, such as temperature, reaction time, and FA/FFR ratio, were investigated. The Rh‐embedded catalyst exhibited a significantly high turnover frequency (TOF≈204 h−1) to that of Ru, Pd, or Ni‐based catalysts on KIT‐6. A plausible reaction mechanism was proposed after examining an independent FA decomposition reaction over the same Rh‐ED‐KIT‐6 catalyst. The heterogeneity of the catalyst was verified by a hot filtration experiment. The Rh/ED‐KIT‐6 could be reused for up to three cycles without any decrease in catalytic activity and selectivity, but the slow oxidation of Rh species was detected.
Post‐Synthetic Immobilization of Ni Ions in Porous‐Organic Polymer‐Graphene Composite for the Non‐Noble Metal Electrocatalytic Water Oxidation
Authors: Soliman Ahmed B. , Hassan Mohamed H. , Abugable Arwa A. , Karakalos Stavros G. , Alkordi Mohamed H. 
Published: August 2017

AbstractThe front cover artwork for Issue 15/2017 is provided by the group of Professor Alkordi at Zewail City of Science and Technology. The image shows a durable composite of porous‐organic polymer and graphene, metallated with Ni ions, which is highly active for water oxidation. See the Full Paper itself at https://doi.org/10.1002/cctc.201700601.
A New Pathway for Protein Haptenation by β‐Lactams
Authors: Pérez‐Ruíz Raúl , Lence Emilio , Andreu Inmaculada , Limones‐Herrero Daniel , González‐Bello Concepción , Miranda Miguel A. , Jiménez M. Consuelo 
Published: August 2017

AbstractThe covalent binding of β‐lactams to proteins upon photochemical activation has been demonstrated by using an integrated approach that combines photochemical, proteomic and computational studies, selecting human serum albumin (HSA) as a target protein and ezetimibe (1) as a probe. The results have revealed a novel protein haptenation pathway for this family of drugs that is an alternative to the known nucleophilic ring opening of β‐lactams by the free amino group of lysine residues. Thus, photochemical ring splitting of the β‐lactam ring, following a formal retro‐Staudinger reaction, gives a highly reactive ketene intermediate that is trapped by the neighbouring lysine residues, leading to an amide adduct. For the investigated1/HSA system, covalent modification of residues Lys414 and Lys525, which are located in sub‐domains IIIA and IIIB, respectively, occurs. The observed photobinding may constitute the key step in the sequence of events leading to photoallergy. Docking and molecular dynamics simulation studies provide an insight into the molecular basis of the selectivity of1for these HSA sub‐domains and the covalent modification mechanism. Computational studies also reveal positive cooperative binding of sub‐domain IIIB that explains the experimentally observed modification of Lys414, which is located in a barely accessible pocket (sub‐domain IIIA).
Creation of Optically Pure Crystals from a Meso‐Type Gold(I) Metalloligand with d‐ and l‐Amino Acids: A Coordination Trick
Authors: Itai Takuma , Kojima Tatsuhiro , Kuwamura Naoto , Konno Takumi 
Published: August 2017

AbstractA unique example of a coordination system that creates optically pure crystals from a meso compound with d‐ and l‐amino acids is reported. The 1:1 reaction of a newly prepared meso digold(I) complex, [Au2(dcpe)(d‐Hpen)(l‐Hpen)] ([H21]), with Co(OAc)2 under aerobic conditions yielded a cationic AuI2CoIII trinuclear complex, [Au2Co(dcpe)(d‐pen)(l‐pen)]+ [2]+, in which [1]2− acts as a hexadentate‐N2,O2,S2 metalloligand to a CoIII center. Similar reactions with M(OAc)2 (M=Ni and Zn) produced analogous but neutral AuI2MII complexes, [Au2M(dcpe)(d‐pen)(l‐pen)] ([3M]). Complexes [2]+ and [3M] are chiral (C vs. A) at the octahedral CoIII and MII centers due to the arrangement of the N2,O2,S2 donor set. In addition, through spontaneous resolution, [3M] gave optically pure C‐[3M] and A‐[3M] crystals, showing the creation of homochirality from meso‐[1]2− and achiral M2+ through crystallization. Such a phenomenon was not observed for [2]+, which gave a racemic compound containing both C‐[2]+ and A‐[2]+.
Risk of being convicted of theft and other crimes in anorexia nervosa and bulimia nervosa: A prospective cohort study in a Swedish female population
Authors: Yao Shuyang , Kuja‐Halkola Ralf , Thornton Laura M. , Norring Claes , Almqvist Catarina , D'Onofrio Brian M. , Lichtenstein Paul , Långström Niklas , Bulik Cynthia M. , Larsson Henrik 
Published: August 2017

AbstractObjectiveWe examined epidemiological associations between anorexia nervosa (AN) and bulimia nervosa (BN) and risks of committing theft and other crimes in a nationwide female population.MethodFemales born in Sweden during 1979–1998 (N = 957,106) were followed from age 15 for up to 20 years using information on clinically diagnosed AN and BN (exposures), convictions of theft and other crimes (outcomes), psychiatric comorbidities, and familial relatedness from Swedish national registers. We estimated hazard ratios (HRs) of criminality in exposed versus unexposed females using Cox proportional hazards regressions and explored how comorbidities and unmeasured familial factors explained the associations.ResultsThe cumulative incidence of convictions of theft (primarily petty theft) and other crimes was higher in exposed females (AN: 11.60% theft, 7.39% other convictions; BN: 17.97% theft, 13.17% other convictions) than in unexposed females (∼5% theft, ∼6% other convictions). The significantly increased risk of being convicted of theft in exposed females (AN: HR = 2.51, 95% confidence interval = [2.29, 2.74], BN: 4.31 [3.68, 5.05]) was partially explained by comorbidities; unmeasured familial factors partially explained the association with convictions of theft in BN but not in AN. Females with BN had a doubled risk of convictions of other crimes, which was partially explained by comorbidities.DiscussionIndividuals with eating disorders had increased risk for convictions of theft and potentially other crimes. Results underscore the importance of regular forensic screening and encourage research on mechanisms underlying the relation between crime and eating disorder psychopathology and efforts to determine how best to address such relation in treatment.
Advances in the analysis of “less‐conventional” human body fluids: An overview of the CE‐ and HPLC‐MS applications in the years 2015–2017
Authors: Di Venere Monica , Viglio Simona , Cagnone Maddalena , Bardoni Anna , Salvini Roberta , Iadarola Paolo 
Published: August 2017

AbstractAim of this article is to focus the attention of the reader on the application of CE/MS and LC/MS to the analysis of human body fluids not currently used for the diagnosis of disorders and, for this reason, catalogued as “less/nonconventional” fluids, that is, tears, nasal secretions, cerumen, bronchoalveolar lavage fluid, sputum, exhaled breath condensate, nipple aspirate, breast milk, amniotic fluid, bile, seminal plasma, liposuction aspirate fluid, and synovial fluid. The pool of articles presented in this report demonstrates that, rather than being neglected, these fluids are an important resource for the evaluation of possible pathologic conditions. Thus, being a sort of mirror that reflects the normal internal characteristics and disease state of an individual, they benefit of an increasing appreciation. This review follows a previous report of this series and covers the latest developments in this field that have been published in specialist journals in the years 2015–2017.
Geochronology, geochemistry, and petrogenesis of the late Mesozoic Luoyang volcanics: Implications for the geodynamic evolution of the Zhejiang–Fujian region, SE China
Authors: Yang Yu‐Long , Ni Pei , Wu Chang‐Zhi , Ding Jun‐Ying , Zhu Ren‐Zhi 
Published: August 2017

The Zhejiang–Fujian region, situated along the southeastern coast of China and in the eastern part of the Cathaysia Block, is characterized by large volumes of late Mesozoic granitoid volcanics. We present new zircon U–Pb ages, whole‐rock geochemistry, and Sr─Nd─Hf‐isotope data for 3 rhyolite porphyries from the Luoyang region (LY‐1, LY‐2, and LY‐3). We identify 2 magmatic events. In Stage 1 (146 Ma), rhyolite porphyry LY‐1 was produced by the partial melting of Proterozoic Mayuan Group amphibolites and metasediments. In Stage 2 (130–126 Ma), rhyolite porphyries LY‐2 and LY‐3 were generated by the continued melting of amphibolites but with only a minor contribution from metasedimentary rocks. The fractionation of plagioclase, biotite, titanite, and allanite (degree of fractionation 0.7–0.5) from an LY‐2 parent magma produced LY‐3. Our new data, together with other published data, indicate that minor volcanism, related to the initial northwestward subduction of the Paleo‐Pacific Plate beneath SE China, occurred in a continental arc setting in the Zhejiang–Fujian coastal region from 160 to 140 Ma but that the major period of volcanism took place from 140 to 120 Ma in a back‐arc setting and occurred because of rollback of the subducting slab.
Public strategies for improving eHealth integration and long‐term sustainability in public health care systems: Findings from an Italian case study
Authors: De Rosis Sabina , Nuti Sabina 
Published: August 2017

SummaryeHealth is expected to contribute in tackling challenges for health care systems. However, it also imposes challenges. Financing strategies adopted at national as well regional levels widely affect eHealth long‐term sustainability. In a public health care system, the public actor is among the main “buyers” eHealth. However, public interventions have been increasingly focused on cost containment. How to match these 2 aspects? This article explores some central issues, mainly related to financial aspects, in the development of effective and valuable eHealth strategies in a public health care system: How can the public health care system (as a “buyer”) improve long‐term success and sustainability of eHealth solutions? What levers are available to match in the long period different interests of different stakeholders in the eHealth field? A case study was performed in the Region of Tuscany, Italy. According to our results, win‐win strategies should be followed. Investments should take into account the need to long‐term finance solutions, for sustaining changes in health care organizations for obtaining benefits. To solve the interoperability issues, the concept of the “platform approach” emerged, based on collaboration within and between organizations. Private sector as well as beneficiaries and final users of the eHealth solutions should participate in their design, provision, and monitoring. For creating value for all, the evidence gap and the financial needs could be addressed with a pull mechanism of funding, aimed at paying according to the outcomes produced by the eHealth solution, on the base of an ongoing monitoring, measurement, and evaluation of the outcomes.
Sensitive determination of typical phenols in environmental water samples by magnetic solid‐phase extraction with polyaniline@SiO2@Fe as the adsorbents before HPLC
Authors: Zhou Qingxiang , Yuan Yongyong , Wu Yalin , Liu Yongli 
Published: August 2017

AbstractA novel magnetic core–shell material polyaniline@SiO2@Fe (PANI@SiO2@Fe) has been successfully synthesized and investigated as an effective adsorbent for the magnetic solid‐phase extraction of typical endocrine disrupting compounds such as bisphenol A, tetrabromobisphenol A, and 4‐nonylphenol from water samples. The morphology of the as‐prepared PANI@SiO2@Fe was characterized by transmission electron microscopy and X‐ray diffraction. The main parameters that influenced the enrichment performance such as the kind of eluent, amount of adsorbent, volume of eluent, adsorption time, elution time, ionic strength, pH, concentration of humic acid, and sample volume were investigated. Under the optimal conditions, a good linear relationship was found in the range of 0.05–100 μg/L for bisphenol A, 0.05–300 μg/L for tetrabromobisphenol A, and 0.05–250 μg/L for 4‐nonylphenol, respectively. The correlation coefficients are all above 0.995. The limits of detection were in the range of 0.009–0.04 μg/L, and precisions were under 3.73% (n = 6). The real water analysis indicated that the spiked recoveries were in the range of 92.9–98.9% (n = 3). All these results indicated that the developed method was an efficient tool for the analysis of bisphenol A, tetrabromobisphenol A, and 4‐nonylphenol.
Effect of settled diatom‐aggregates on benthic nitrogen cycling
Authors: Marzocchi Ugo , Thamdrup Bo , Stief Peter , Glud Ronnie N. 
Published: August 2017

AbstractThe marine sediment hosts a mosaic of microhabitats. Recently it has been demonstrated that the settlement of phycodetrital aggregates can induce local changes in the benthic O2 distribution due to confined enrichment of organic material and alteration of the diffusional transport. Here, we show how this microscale O2 shift substantially affects benthic nitrogen cycling. In sediment incubations, the settlement of diatom‐aggregates markedly enhanced benthic O2 and
consumption and stimulated
and
production. Oxygen microprofiles revealed the rapid development of anoxic niches within and underneath the aggregates. During 120 h following the settling of the aggregates, denitrification of
from the overlying water increased from 13.5 μmol m−2 h−1 to 24.3 μmol m−2 h−1, as quantified by 15N enrichment experiment. Simultaneously, N2 production from coupled nitrification‐denitrification decreased from 33.4 μmol m−2 h−1 to 25.9 μmol m−2 h−1, probably due to temporary inhibition of the benthic nitrifying community. The two effects were of similar magnitude and left the total N2 production almost unaltered. At the aggregate surface, nitrification was, conversely, very efficient in oxidizing
liberated by mineralization of the aggregates. The produced
was preferentially released into the overlying water and only a minor fraction contributed to denitrification activity. Overall, our data indicate that the abrupt change in O2 microdistribution caused by aggregates stimulates denitrification of
from the overlying water, and loosens the coupling between benthic nitrification and denitrification both in time and space. The study contributes to expanding the conceptual and quantitative understanding of how nitrogen cycling is regulated in dynamic benthic environments.
Biobased Oligomeric Esters Comprised of 1,3‐Propanediol, Succinic Acid, and Fatty Acids
Authors: Hackenberg Jason D. , Stebbins Nicholas D. , Uhrich Kathryn E. 
Published: August 2017

AbstractOligomers derived from renewable compounds, 1,3‐propanediol and succinic acid, are prepared through a solution polymerization method to afford a series of alcohol‐terminated oligomers with different molecular weight distributions. Fatty acid conjugation to the alcohol‐terminated oligomers yields novel fatty acid‐capped oligomers with unique physical properties (ranging from amorphous oils and waxes to semi‐crystalline solids), which may be controlled by tuning the molecular weight and fatty acid end‐groups. To assess the potential of these new materials to replace petroleum‐based ingredients in personal care and cosmetic formulations (for use as, e.g., viscosity modifiers, surfactants, and film‐formers), the effect of molecular weight and end‐group chain length on solution viscosity and surface tensions is examined, finding that the relative viscosities of solutions containing these oligomers increase as a function of oligomer concentration and molecular weight, while the surface tensions decrease primarily as a function of the fatty acid end‐group chain length.
Transcutaneous posterior tibial nerve electrostimulation with low dose trospium chloride: Could it be used as a second line treatment of overactive bladder in females
Authors: Abulseoud Amr , Moussa Ahmed , Abdelfattah Gaber , Ibrahim Ibrahim , Saba Emmanuel , Hassouna Mohamed 
Published: August 2017

AimTo evaluate the effect of adding low dose trospium chloride with transcutaneous posterior tibial nerve stimulation (TPTNS) in the treatment of overactive bladder (OAB) in females after failure of behavioral therapy.MethodsWe randomized 30 women with OAB, in two groups: G I received 30 min TPTNS, three times a week; GII received TPTNS plus 20 mg trospium chloride daily. OAB Symptom Score questionnaire (OABSS), Incontinence Impact Questionnaire‐short form 7 (IIQ‐7), 3 day voiding diary and urodynamics at weeks 0 and 8 were evaluated.ResultsThe groups were similar before treatment. Eight weeks after treatment, the mean OABSS decreased significantly to 8.53 ± 1.30 for group II vs 10.0 ± 2.0 for GI (P < 0.024). The mean IIQ‐7 score decreased significantly to 51.86 ± 17.26 in group I vs 31.99 ± 9.26 in group II (P < 0.001). Before treatment, 11 (73.3%) and 4 (26.7%) patients in each group had moderate and poor quality of life (QoL), respectively. After treatment, 6 (40%) and 14 (93.3%) had good QoL, 7 (46.7%) and 1 (6.7%) had moderate QoL in GI and GII, respectively. Two (13.3%) patients in GI had poor QoL. The mean frequency was reduced to 8.60 ± 0.83 vs 10.60 ± 2.32 for GII and GI respectively (P = 0.006). The cystometric capacity increased from 263.40 ± 50.45 to 377.80 ± 112.92 mL (P = 0.001) for GII vs 250.13 ± 56.24 to 296.40 ± 99.0 mL (P = 0.026) for GI.ConclusionTPTNS combined with low dose trospium chloride proved to be more effective than TPTNS alone in the treatment of OAB in females.
Molecular alterations in pediatric brainstem gliomas
Authors: Porkholm Mikaela , Raunio Anna , Vainionpää Reetta , Salonen Tarja , Hernesniemi Juha , Valanne Leena , Satopää Jarno , Karppinen Atte , Oinas Minna , Tynninen Olli , Pentikäinen Virve , Kivivuori Sanna‐Maria 
Published: August 2017

AbstractBackgroundDiffuse intrinsic pontine gliomas (DIPGs) have a dismal prognosis. Previously, diagnosis was based on a typical clinical presentation and magnetic resonance imaging findings. After the start of the era of biopsies, DIPGs bearing H3 K27 mutations have been reclassified into a novel entity, diffuse midline glioma, based on the presence of this molecular alteration. However, it is not well established how clinically diagnosed DIPG overlap with H3 K27‐mutated diffuse midline gliomas, and whether rare long‐term survivors also belong to this group.MethodsWe studied tumor samples obtained at diagnosis or upon autopsy from 23 children, including two long‐term survivors. Based on clinical, radiological, and histological findings, all tumors were previously diagnosed as DIPGs. All samples were analyzed for genetic alterations by next‐generation sequencing (NGS) and for protein expression by immunohistochemistry (IHC).ResultsH3 K27 was mutated in NGS or IHC in 20 patients, excluding both long‐term survivors. One of these long‐term survivors harbored a mutation in IDH1, formerly considered to be an alteration absent in pediatric diffuse brainstem gliomas. Other altered genes in NGS included TP53 (10 patients), MET and PDGFRA (3 patients each), VEGFR and SMARCA4 (2 patients each), and PPARγ, PTEN and EGFR in 1 patient, respectively. IHC revealed cMYC expression in 15 of 24 (63%) of all samples, exclusively in the biopsies.ConclusionsEighty‐seven percent of the tumors formerly diagnosed as DIPGs could be reclassified as H3 K27‐mutated diffuse midline gliomas. Both long‐term survivors lacked this alteration. Contrary to former conceptions, IDH1 mutations may occur also in pediatric brainstem gliomas.
Rapid infusion of rituximab is well tolerated in children with hematologic, oncologic, and rheumatologic disorders
Authors: Bernhardt M. Brooke , De Guzman Marietta M. , Grimes Amanda , Kirk Susan , Nelson Sheryl , Bergsbaken Jessica , Minard Charles G. , Despotovic Jenny McDade 
Published: August 2017

AbstractTraditional administration of rituximab requires careful titration and may involve many hours to minimize the risk of reactions. The objective of this study was to evaluate the safety of rapid infusions of rituximab in a pilot group of children with hematologic, oncologic, and rheumatologic disorders, and to determine the incidence of rate‐related infusion reactions. Twenty patients enrolled in the study. All patients tolerated the rapid infusion of rituximab and no patient had an infusion‐related reaction. We conclude that rapid infusions of rituximab are well tolerated and safe in our pilot group of patients.
Microwave‐assisted facile synthesis of propargylamine library by robust nitro functionalized cross‐linked polystyrene resin supported Cu NPs
Authors: Sharma Anuj S. , Kaur Harjinder , Barot Nirav 
Published: August 2017

AbstractIn the present investigation, we study catalytic activity of copper nanoparticles stabilized onto a nitro functionalized polystyrene resin (Cu NPs@ Nitro‐Resin). The size of stabilized copper nanoparticles was found between 3 and 9 nm. This work reports a cost‐effective and sustainable protocol for the synthesis of propargylamines. Herein, we have developed microwave‐assisted synthesis of propargylamine from 3 components coupling of aldehyde, alkynes, and amines (A3 coupling) in truly heterogeneous catalytic system. Reaction parameters, such as solvent, catalyst concentration reaction time, and recyclability, were investigated, and reaction conditions were optimized. The present method has advantages such as environmentally benign, ease to handle, short reaction time (≈25 min), excellent yields (98%), low E‐factor (0.15), and high atom economy (94%).