bluuebunny/crossref_metadata_2025_split huggingface dataset:
Carboxylate Salt Bridge‐Mediated Enamine Catalysis: Expanded Michael Reaction Substrate Scope and Facile Access to Antidepressant (R)‐Pristiq
Authors: Nugent Thomas C. , Hussein Hussein Ali El Damrany , Ahmed Shahzad , Najafian Foad Tehrani , Hussain Ishtiaq , Georgiev Tony , Aljoumhawy Mahmoud Khalaf 
Published: June 2017

AbstractWe report broad guidance on how to catalyze enantioselective aldehyde additions to nitroalkene or maleimide Michael electrophiles in the presence of unprotected acidic spectator groups, e.g., carboxylic acids, acetamides, phenols, catechols, and maleimide NH groups. Remarkably, these l‐threonine and l‐serine potassium salt‐catalyzed reactions proceed even when the nucleophilic and electrophilic Michael partners simultaneously contain acidic spectator groups. These findings begin to address the historical non‐compatibility of enantioselective catalytic reactions in the presence of acidic moieties and simultaneously encroach on the spectator group tolerances normally associated with cellular environments. A carboxylate salt bridge, from the catalyst enabled enamine to the Michael electrophile, is thought to facilitate the expanded Michael substrate profile. A practical outcome of these endeavours is a new synthetic route to (R)‐Pristiq, (−)‐O‐desmethylvenlafaxine, an antidepressant, in the highest yield known to date because no protecting groups are required.magnified image
Luminescence Resonance Energy Transfer in a Multiple‐Component, Self‐Assembled Supramolecular Hydrogel
Authors: Gorai Tumpa , Maitra Uday 
Published: June 2017

AbstractCascade energy transfer from a sensitizer to TbIII then to fluorescent dyes was studied for the first time in a supramolecular hydrogel. Efficient energy transfer from TbIII to the dyes was observed, as established by time‐delayed emission and excitation spectral analysis, lifetime data, and microscopic studies.
Kupfer‐vermittelte Topologieänderung und Thrombin‐Inhibierung mit telomerischen DNA‐G‐Quadruplexen
Authors: Engelhard David M. , Nowack Julia , Clever Guido H. 
Published: June 2017

AbstractDie topologische Diversität von DNA‐G‐Quadruplexen scheint eine entscheidende Rolle für ihre biologische Funktion zu spielen. Reversible Kontrolle über eine spezifische Faltungstopologie wurde durch die Synthese eines chiralen Glykol‐basierten Pyridylliganden und dessen vierfachen Einbau in eine menschliche Telomersequenz über DNA‐Festphasensynthese erreicht. Die quadratisch‐planare Koordination eines CuII‐Ions führte zur Bildung einer stark stabilisierenden intramolekularen Metallbasen‐Tetrade, welche die Position einer G‐Tetrade aus dem zugrundliegenden unimolekularen G‐Quadruplex einnimmt. Für die telomerische Wiederholungseinheit aus der Gattung Tetrahymena wurde eine CuII‐induzierte Schaltung von einer Hybrid‐dominierten Konformermischung zu einer antiparallelen Topologie beobachtet. CuII‐abhängige Kontrolle über eine Protein‐G‐Quadruplex‐Wechselwirkung konnte für das Thrombin‐Thrombinbindungsaptamer‐Paar gezeigt werden.
Rational Engineering of Photoconvertible Fluorescent Proteins for Dual‐Color Fluorescence Nanoscopy Enabled by a Triplet‐State Mechanism of Primed Conversion
Authors: Mohr Manuel Alexander , Kobitski Andrei Yu. , Sabater Lluc Rullan , Nienhaus Karin , Obara Christopher John , Lippincott‐Schwartz Jennifer , Nienhaus Gerd Ulrich , Pantazis Periklis 
Published: June 2017

AbstractGreen‐to‐red photoconvertible fluorescent proteins (pcFPs) are powerful tools for super‐resolution localization microscopy and protein tagging. Recently, they have been found to undergo efficient photoconversion not only by the traditional 400‐nm illumination but also by an alternative method termed primed conversion, employing dual wavelength illumination with blue and far‐red/near‐infrared light. Primed conversion has been reported only for Dendra2 and its mechanism has remained elusive. Here, we uncover the molecular mechanism of primed conversion by reporting the intermediate “primed” state to be a triplet dark state formed by intersystem crossing. We show that formation of this state can be influenced by the introduction of serine or threonine at sequence position 69 (Eos notation) and use this knowledge to create “pr”‐ (for primed convertible) variants of most known green‐to‐red pcFPs.
Fabrication of reverse‐osmosis membranes for the desalination of underground water via the γ‐radiation grafting of acrylic acid onto polyethylene films
Authors: Oraby Hussein , Senna Magdy M. , Elsayed Mohamed , Gobara Mohamed 
Published: June 2017

ABSTRACTResearch has been devoted to the desalination of saline water to fresh water suitable for human demands because of the shortage of water in some countries. Therefore, in this study, reverse‐osmosis membranes were prepared via the γ‐radiation graft copolymerization of acrylic acid onto high‐density and low‐density polyethylene. The factors that could affect the grafting process, such as the solvent type, monomer and inhibitor concentration, and irradiation dose, were investigated to determine the optimum conditions for radiation grafting. The polyethylene grafted acrylic acid copolymers (PAAc‐g‐PE) graft copolymer was characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, and mechanical, rheological, and thermal property testing to illustrate the possibility of practical use in water desalination. The prepared grafted membranes showed significant results in the reverse‐osmosis desalination method with underground saline water. The factors affecting the desalination of water, such as the water flux, operation time, and grafting percentage, were studied. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45410.
Advanced isoconversional cure kinetic analysis of epoxy/poly(furfuryl alcohol) bio‐resin system
Authors: Mohajeri Sahar , Vafayan Mehdy , Ghanbaralizadeh Roza , Pazokifard Shahla , Zohuriaan Mehr Mohammad Jalal 
Published: June 2017

ABSTRACTFurfuryl alcohol as a biomass‐derived monomer was used for synthesizing poly(furfuryl alcohol). A diglycidyl ether of bisphenol A (DGEBA) epoxy resin along with 3% and 15% by weight of the poly(furfuryl alcohol) was cured using an aliphatic amine hardener. The cure kinetics of the DGEBA/poly(furfuryl alcohol)/amine systems were investigated by nonisothermal differential scanning calorimetry. The kinetic triplets [Eα, Aα, and f(α)] were computed by using an integral isoconversional method. Based on the Eα‐dependency results a single‐step autocatalytic model was suggested for the reactions mechanism, however, the Aα‐dependency and f(α) analysis did not confirm the suggested model. Detailed kinetics analysis revealed that the cure reaction mechanism of the DGEBA did not change due to the presence of the poly(furfuryl alcohol) in the degree of conversion range < 0.75, nevertheless, it dramatically changed in the degree of conversion range > 0.75 due to the presence of 15 wt % poly(furfuryl alcohol). © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45432.
Effects of water on drawability, structure, and mechanical properties of poly(vinyl alcohol) melt‐spun fibers
Authors: Ding Hengchun , Lin Shuidong , Li Li 
Published: June 2017

ABSTRACTPoly(vinyl alcohol) (PVA) melt‐spun fibers with circular cross‐section and uniform structure, which could support high stretching, were prepared by using water as plasticizer. The effects of water content on drawability, crystallization structure, and mechanical properties of the fibers were studied. The results showed that the maximum draw ratio of PVA fibers decreased with the increase of water content due to the intensive evaporation of excessive water in PVA fibers at high drawing temperature. Hot drying could remove partially the water content in PVA as‐spun fibers, thus reducing the defects caused by the rapid evaporation of water and enhancing the drawability of PVA fibers at high drawing temperature. The decreased water content also improved the orientation and crystallization structure of PVA, thus producing a corresponding enhancement in the mechanical properties of the fibers. When PVA as‐spun fibers with 5 wt % water were drawn at 180 °C, the maximum draw ratio of 11 was obtained and the corresponding tensile strength and modulus reached ∼0.9 GPa and 24 GPa, respectively. Further drawing these fibers at 215 °C and thermal treating them at 220 °C for 1.5 min, drawing ratio of 16 times, tensile strength of 1.9 GPa, and modulus of 39.5 GPa were achieved. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45436.
How international transracial adoptees and immigrants cope with discrimination? The moderating role of ethnic identity in the relation between perceived discrimination and psychological well‐being
Authors: Ferrari Laura , Rosnati Rosa , Canzi Elena , Ballerini Anna , Ranieri Sonia 
Published: June 2017

AbstractResearch has consistently shown that discrimination based on ethnic group membership affects the psychological well‐being of ethnic minorities. Recent studies revealed that discrimination is also a relevant experience for international transracial adoptees, who have experienced a unique migration process. Yet, there is still a paucity of studies focused on similarities and differences between how immigrants and international transracial adoptees perceive discrimination and on how perceived discrimination impacts psychological well‐being, also depending on ethnic identity. Our study aimed to fill these gaps by investigating the moderating role of ethnic identity affirmation in the association between perceived discrimination and psychological well‐being, measured in terms of self‐esteem. A comparison between international transracial adoptees and immigrants was carried out in the Italian context. Participants were 119 international transracial adoptees and 90 immigrants, aged between 15 and 24, all categorizing themselves as Latinos. Findings revealed that immigrants perceived more discrimination and showed higher levels of ethnic identity affirmation than did adoptees, but no difference emerged with respect to self‐esteem. Ethnic identity affirmation buffered the detrimental effects of perceived discrimination on self‐esteem among international transracial adoptees but not among immigrants. Results are discussed in relation to practical implications for preventive interventions.
Chromium‐Catalyzed Highly Selective Oligomerization of Ethene to 1‐Hexene with N,N‐Bis[chloro(aryl)phosphino]amine Ligands
Authors: Höhne Martha , Peulecke Normen , Konieczny Katharina , Müller Bernd H. , Rosenthal Uwe 
Published: June 2017

AbstractThe front cover artwork for Issue 13/2017 is provided by the group of Uwe Rosenthal from the Leibniz Institute for Catalysis at the University of Rostock. The image shows the structure–response dependence of coupling three or four ethene monomers on the size of the PNP ligand′s substituent R in the chromium‐catalyzed oligomerization. See the Full Paper itself at https://doi.org/10.1002/cctc.201700448.
Virtual Characterization of Dense Granular Flow through a Vertically Rotating Feeding Experiment
Authors: Niedziela Dariusz , Rau Sebastian , Steiner Konrad , de Vita Simone , Lutsche Marion , Richter Meike , Schmidt Mattias , Stoltz Christopher 
Published: June 2017

AbstractThe applicability of continuum granular flow models relies on the characterization of the macroscopic constituting relations of such models. Recent works have presented relations especially for the granular viscosity in certain well‐defined experiments. Here, a different, highly dynamic, yet dense granular flow experiment using a vertically rotating feeding device with an off‐centered rotating bottom opening together with an inverse problem approach of model essential parameters is described. For validation purposes, glass beads are used, even though the method is developed for a broader scope of materials. The same workflow is applied to a continuum and a discrete element method (DEM) model and results with a relative error in a comparable range are obtained.
Dynamics of Capillary Wetting of Biopolymer Powders
Authors: Wangler Julia , Kohlus Reinhard 
Published: June 2017

AbstractThe rehydration behavior of biopolymer powders was investigated. Problems that arise during powder rehydration, e.g., floating and formation of particle aggregates, are mainly attributed to the dynamics of capillary water uptake. Common methods for analysis are too slow to assess the fast changes and do not allow conclusions about causal relationships. For a more detailed understanding, relevant powder properties were investigated. Results show that viscosity development in the rehydration liquid as well as swelling, and in particular their dynamics, are crucial for powder rehydration. The dynamic capillary rise was modeled based on the Washburn equation and results were linked to the physical powder characteristics. The approach allows the evaluation, whether viscosity or swelling effects lead to a critical rehydration behavior.
Aromatic Thioethers as Novel Luminophores with Aggregation‐Induced Fluorescence and Phosphorescence
Authors: Riebe Steffen , Vallet Cecilia , van der Vight Felix , Gonzalez‐Abradelo Dario , Wölper Christoph , Strassert Cristian A. , Jansen Georg , Knauer Shirley , Voskuhl Jens 
Published: June 2017

AbstractHere we report on a novel system based on aromatic thioethers with unique luminescence properties. Fifteen different compounds were investigated in detail on their luminescence properties using UV/Vis absorption and steady‐state and time‐resolved luminescence spectroscopy. Excited state lifetimes as well as quantum yields were determined, and the toxicity towards HeLa cells was investigated. Besides X‐ray analyses also quantum chemical calculations were performed to gain deeper insights in the unique behavior of this facile system. The studied compounds reveal remarkable fluorescence emission ranging from 437 to 588 nm as well as phosphorescence (up to 5 μs).
Reversible and Efficient Sequestration of Cesium from Water by the Layered Metal Thiophosphate K0.48Mn0.76PS3⋅H2O
Authors: Rathore Ekashmi , Pal Provas , Biswas Kanishka 
Published: June 2017

AbstractWater body contamination with radioactive species is an important issue due to significant developments in nuclear energy. Cesium (137Cs) radioisotope is a non‐actinide fission product of uranium and plutonium that is long‐lived. Hence, selective removal/capture of cesium is essential for managing radioactive waste. Herein, a detailed Cs+ ion‐exchange study on a potassium intercalated layered metal thiophosphate, K0.48Mn0.76PS3⋅H2O (K‐MPS‐1), is reported. The sorption of Cs+ by K‐MPS‐1 follows the Langmuir model with a high capacity of 337.5 mg g−1 and high distribution coefficients in the order of about 104 mL g−1. K‐MPS‐1 can sequester Cs+ efficiently, even from very low concentrations (ppb level). K‐MPS‐1 exhibits high cesium uptake over a broad pH range of 2–12 and the ion‐exchange process reaches equilibrium within a short time (≈15 min), following pseudo‐second‐order kinetics. Moreover, K‐MPS‐1 demonstrates selectivity towards Cs+ capture in the presence of complex solutions containing excess Na+, Ca2+, and Mg2+ ions; this is due to favorable interactions between Cs (soft Lewis acid) and S (soft Lewis base). K‐MPS‐1 reversibly captures Cs+ and it can be regenerated by treating Cs‐MPS‐1 with a solution of KCl.
Progressive hypofractionated carbon‐ion radiotherapy for hepatocellular carcinoma: Combined analyses of 2 prospective trials
Authors: Kasuya Goro , Kato Hirotoshi , Yasuda Shigeo , Tsuji Hiroshi , Yamada Shigeru , Haruyama Yasuo , Kobashi Gen , Ebner Daniel K. , Okada Naomi Nagatake , Makishima Hirokazu , Miyazaki Masaru , Kamada Tadashi , Tsujii Hirohiko ,   for the Liver Cancer Working Group
Published: June 2017

BACKGROUNDThe objective of this study was to evaluate the safety and efficacy of carbon‐ion radiotherapy (CIRT) in patients with hepatocellular carcinoma (HCC) with stepwise dose escalation and hypofractionation in 2 combined prospective trials.METHODSSequential phase 1/2 (protocol 9603) and phase 2 (protocol 0004) trials were conducted for patients with histologically proven HCC. The phase 1 component of protocol 9603 was a dose‐escalation study; CIRT was delivered in 12, 8, or 4 fractions. After determination of the recommended dose, 2 phase 2 trials were performed in an expanded cohort, and the data were pooled to analyze toxicity, local control, and overall survival.RESULTSIn the phase 1 component of protocol 9603, 69.6, 58.0, and 52.8 Gy (relative biological effectiveness [RBE]) in 12, 8, and 4 fractions, respectively, constituted the maximum tolerated doses, and 52.8 Gy (RBE) in 4 fractions was established as the recommended dose regimen for the 2 phase 2 studies. In 124 patients with a total of 133 lesions, few severe adverse effects occurred, and local‐control and overall survival rates at 1, 3, and 5 years were 94.7% and 90.3%, 91.4% and 50.0%, and 90.0% and 25.0%, respectively; this included 1‐, 3‐, and 5‐year local‐control rates of 97.8%, 95.5%, and 91.6%, respectively, in the phase 2 study. In a multivariate analysis, Child‐Pugh class B and the presence of a tumor thrombus were significant factors for mortality.CONCLUSIONSThe safety and efficacy of CIRT in 12, 8, and 4 fractions were confirmed, with 52.8 Gy (RBE) in 4 fractions established as the recommended treatment course for eligible HCC patients. Cancer 2017;123:3955‐65. © 2017 The Authors. Cancer published by Wiley Periodicals, Inc. on behalf of American Cancer Society.
Genome‐wide association analysis identifies a GLUL haplotype for familial hepatitis B virus‐related hepatocellular carcinoma
Authors: Lin You‐Yu , Yu Ming‐Whei , Lin Shi‐Ming , Lee Shou‐Dong , Chen Chih‐Ling , Chen Ding‐Shinn , Chen Pei‐Jer 
Published: June 2017

BACKGROUNDA family history of liver cancer increases the risk of developing hepatocellular carcinoma (HCC) by 2‐fold to 10‐fold among patients with chronic hepatitis B virus (HBV). Previous genome‐wide association studies have identified many possible susceptible loci associated with sporadic HBV‐related HCC. However, despite family history being a well‐known risk factor for HBV‐related HCC, to the authors' knowledge its genetic mechanisms and associating loci remain largely unknown or unexplored, most likely due to the relative rarity of familial HCC and the difficulty of sample collection.METHODSThe authors conducted a genome‐wide association study with 139 male cases with familial HBV‐related HCC and 139 non‐HCC male controls with chronic HBV. The results were corroborated further with an independent cohort of 101 patients with familial HBV‐related HCC and comparison with both the 1000 Genomes Project and the Taiwan Biobank.RESULTSA total of 51 risk single‐nucleotide polymorphisms (P≤1E‐04) were identified in the association analyses, which included 2 clusters of associated single‐nucleotide polymorphisms and haplotypes at 1q25.3 (glutamate‐ammonia ligase [GLUL]/transmembrane epididymal protein 1 [TEDDM1]/long intergenic non‐protein‐coding RNA 272 [LINC00272]/regulator of G‐protein signaling‐like 1 [RGSL1]) and 17q11.2 (solute carrier family 13 member 2 [SLC13A2]/forkhead box N1 [FOXN1]). Both the GLUL and SLC13A2/FOXN1 haplotypes have large effect sizes and were found to be different from those found from genome‐wide association studies of sporadic HCCs.CONCLUSIONSTo the authors' knowledge, the current study is the first genome‐wide association study to identify genetic factors for familial HBV‐related HCC. The results identified 2 large effect susceptible haplotypes located at GLUL and SLC13A2/FOXN1. The current study findings also suggest different genetic susceptibility between familial and sporadic HBV‐related HCC. Cancer 2017;123:3966‐76. © 2017 American Cancer Society.
An analytical study for an efficient multi‐branch switched diversity receiver
Authors: Stavrianos Panagiotis G. , Bithas Petros S. , Kalivas Dimitris S. 
Published: June 2017

SummaryThe development of new hybrid diversity methods has been demanded by the continuous growth of information rates. These schemes achieve improved balance between hardware complexity and performance, in relation to conventional ones. In this paper, a new hybrid switched diversity system is proposed. It is called generalized multi‐branch switch and examine combining. The new scheme is a generalization of the classic one known as switch and examine combining with considerably improved performance. The performance of this scheme is analyzed over independent and identically distributed Nakagami‐m fading channels using well‐known performance and complexity measures. More specifically, important performance metrics, such as the outage probability, the average bit error rate, and the capacity under different adaptive transmission policies, have been analytically studied. It is shown that the proposed approach offers an important improvement on the performance, without considerably affecting the complexity.
Exploring the relationship between tychoparthenogenesis and inbreeding depression in the Desert Locust, Schistocerca gregaria
Authors: Little Chelsea J. , Chapuis Marie‐Pierre , Blondin Laurence , Chapuis Elodie , Jourdan‐Pineau Hélène 
Published: June 2017

AbstractTychoparthenogenesis, a form of asexual reproduction in which a small proportion of unfertilized eggs can hatch spontaneously, could be an intermediate evolutionary link in the transition from sexual to parthenogenetic reproduction. The lower fitness of tychoparthenogenetic offspring could be due to either developmental constraints or to inbreeding depression in more homozygous individuals. We tested the hypothesis that in populations where inbreeding depression has been purged, tychoparthenogenesis may be less costly. To assess this hypothesis, we compared the impact of inbreeding and parthenogenetic treatments on eight life‐history traits (five measuring inbreeding depression and three measuring inbreeding avoidance) in four laboratory populations of the desert locust, Schistocerca gregaria, with contrasted demographic histories. Overall, we found no clear relationship between the population history (illustrated by the levels of genetic diversity or inbreeding) and inbreeding depression, or between inbreeding depression and parthenogenetic capacity. First, there was a general lack of inbreeding depression in every population, except in two populations for two traits. This pattern could not be explained by the purging of inbreeding load in the studied populations. Second, we observed large differences between populations in their capacity to reproduce through tychoparthenogenesis. Only the oldest laboratory population successfully produced parthenogenetic offspring. However, the level of inbreeding depression did not explain the differences in parthenogenetic success between all studied populations. Differences in development constraints may arise driven by random and selective processes between populations.