bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: INTRAMOLECULAR CYCLIZATION OF 3β‐ACETOXY‐5‐OXO‐7‐FORMYL‐7α,8‐EPOXY‐5,6‐SECOCHOLESTANE INTO KETAL ACETALS
Authors: RODEWALD W. J. , BONCZA‐TOMASZEWSKI Z. 
Published: April 2016

Abstract3β‐Acetoxy‐cholesta‐5,7‐dien (I) wird mit Permanganat zu (II) hydroxyliert und dann mit Bleitetraacetat zur seco‐Verbindung (IIIb) gespalten, die auch aus (II) über das Epoxid (IV) erhalten werden kann.
ChemInform Abstract: NOVEL STEREOSELECTIVE TOTAL SYNTHESIS OF 14α‐HYDROXYESTRONE METHYL ETHER
Authors: KAMETANI T. , NEMOTO H. , TSUBUKI M. , NISHIUCHI M. 
Published: April 2016

Abstract1‐Methyl‐1‐allyl‐2,5‐cyclopentandion (I) wird zu (IIa) ketalisiert und zum Aldehyd (IIb) ozonolysiert, der mit dem Benzocyclobutennitril (III) zu (IVa) kondensiert wird.
ChemInform Abstract: SELECTIVE TRANSFORMATIONS OF SUGAR TOSYLHYDRAZONES TO DEOXY AND UNSATURATED SUGARS
Authors: NAIR V. , SINHABABU A. K. 
Published: April 2016

AbstractDie Ketozucker (I) werden mit Tosylhydrazin (II) in die Tosylhydrazone (III) umgewandelt und weiter′ mit Natriumcyanoborhydrid zum Hydrazin (IV) reduziert.
ChemInform Abstract: FAVORED FORMATION OF AN O‐GLYCOSIDE DURING RIBOSIDATION OF 5‐METHYL‐2‐(METHYLTHIO)‐7H‐PYRROLO(2,3‐D)PYRIMIDIN‐4(3H)‐ONE
Authors: LUEPKE U. , SEELA F. 
Published: April 2016

AbstractBei der Methylierung des durch Kondensation des racemischen Esters (I) mit Thioharnstoff gewonnenen Pyrimidinols (II) erfolgt gleichzeitig Cyclisierung zum Pyrimidinon (III).
ChemInform Abstract: SYNTHESIS AND GASTRIC ANTISECRETORY PROPERTIES OF AN 8‐AZA‐ AND A 10‐OXA‐8,12‐SECOPROSTAGLANDIN
Authors: ZORETIC P. A. , SOJA P. , SHIAH T. 
Published: April 2016

AbstractDas Valerolacton (I) wird mit Methylamin zum Amid (II) gespalten, dessen Tetrahydropyranylether (III) als Natriumsalz mit dem entsprechenden Bromcarbonsäureester zum Ester (IVa) reagiert.
Flash‐Kristallisation
Authors: Gebauer Jörn , Selzer Daniel , Kind Matthias 
Published: April 2016

AbstractDer Flash‐Kristallisationsprozess ist ein neuartiges Verfahren mit dem gezielt feine Kristalle von gut löslichen Stoffsystemen hergestellt werden können. Die Eignung eines Stoffsystems für diesen Prozess hängt stark von der Keimbildung und der Wachstumgskinetik ab. Es wird eine einfache und schnelle Methode zur Charakterisierung von Stoffsystemen hinsichtlich deren Eignung für die Flash‐Kristallisation vorgestellt. Durch die Bestimmung von Induktionszeiten wird zunächst ein Überblick über das Kristallisationsverhalten der Stoffsysteme gewonnen. Weiterhin wird ein Modell zur gezielten Auslegung von Flash‐Versuchen bei unterschiedlichen Bedingungen präsentiert. Die Analyse der Produktsuspension erlaubt schließlich eine Beurteilung, ob eine Flash‐Kristallisation durchgeführt werden kann.
Untersuchung der Oberflächeneigenschaften von Kohlenstoffnanopartikeln
Authors: Bellmann Cornelia , Sobolkina Anastasia , Caspari Anja , Albrecht Victoria , Grundke Karina , Mechtcherine Viktor 
Published: April 2016

AbstractAm Beispiel von Kohlenstoffnanopartikeln unterschiedlicher Funktionalität und Gestalt sollen die Möglichkeiten einer umfassenden Oberflächencharakterisierung vorgestellt werden. Im Fokus der analytischen Arbeiten stehen dabei elektrokinetische und Benetzungsmessungen, die durch Röntgenphotoelektronenspektroskopie sowie Gassorptionsmessungen ergänzt wurden. Damit konnte die chemische Funktionalität, die Oberflächenenergie sowie die Topografie der Partikeloberflächen quantitativ beschrieben werden. Die Kenntnis dieser Größen ermöglicht eine gezielte Auswahl von Partikeln als Verstärkungsmaterialien, aber auch als Nukleierungsmittel.
Das „Kugelwolken‐Modell“ – ein Klassiker neu belebt!?
Authors: Reinke André , Flint Alfred 
Published: April 2016

AbstractDas auf den wissenschaftlichen Annahmen von Kimball und den didaktischen Reduktionen von Bent aufbauende „Kugelwolken‐Modell“ ist ein einfaches, aber erklärungsstarkes und anschlussfähiges, differenziertes Atommodell für den Schulunterricht. Im folgenden Artikel werden dazu der wissenschaftliche Hintergrund, Kritikpunkte, der Aufbau und eine Möglichkeit zur Einführung des Modells sowie ein dazu neu entwickeltes 3D‐Programm vorgestellt.
Structure–Activity Study of the Peptides P5U and Urantide by the Development of Analogues Containing Uncoded Amino Acids at Position 9
Authors: Merlino Francesco , Brancaccio Diego , Yousif Ali M. , Piras Linda , Campiglia Pietro , Gomez‐Monterrey Isabel , Santicioli Paolo , Meini Stefania , Maggi Carlo A. , Novellino Ettore , Carotenuto Alfonso , Grieco Paolo 
Published: April 2016

AbstractPrevious modifications of the peptide sequence of human urotensin‐II (U‐II) led to the identification of two well‐known ligands: P5U and urantide. These derivatives are considered to be the most representative agonist and antagonist, respectively, at the human urotensin receptor (UT). Optimization of P5U and urantide was carried out to stabilize specific conformations that may suggest new elements for discriminating agonist versus antagonist activity. We studied novel derivatives containing uncoded amino acids. In particular, the Tyr9 residue of both P5U and urantide was replaced with nonaromatic hydrophobic bulky residues, as well as conformationally constrained aromatic moieties to generate eight novel derivatives. These analogues further contributed to determining the influence of such residues on binding affinity for and biological activity at UT. One of these eight peptides was also investigated by NMR spectroscopy and docking studies owing to its peculiar conformational properties and mode of interaction with UT. This structure–activity study is aimed at a more thorough examination of the role of tyrosine in modulating the agonism/antagonism of human U‐II.
Nonbleeding adenomas: Evidence of systematic false‐negative fecal immunochemical test results and their implications for screening effectiveness—A modeling study
Authors: van der Meulen Miriam P. , Lansdorp‐Vogelaar Iris , van Heijningen Else‐Mariëtte B. , Kuipers Ernst J. , van Ballegooijen Marjolein 
Published: April 2016

BACKGROUNDIf some adenomas do not bleed over several years, they will cause systematic false‐negative fecal immunochemical test (FIT) results. The long‐term effectiveness of FIT screening has been estimated without accounting for such systematic false‐negativity. There are now data with which to evaluate this issue.METHODSThe authors developed one microsimulation model (MISCAN [MIcrosimulation SCreening ANalysis]‐Colon) without systematic false‐negative FIT results and one model that allowed a percentage of adenomas to be systematically missed in successive FIT screening rounds. Both variants were adjusted to reproduce the first‐round findings of the Dutch CORERO FIT screening trial. The authors then compared simulated detection rates in the second screening round with those observed, and adjusted the simulated percentage of systematically missed adenomas to those data. Finally, the authors calculated the impact of systematic false‐negative FIT results on the effectiveness of repeated FIT screening.RESULTSThe model without systematic false‐negativity simulated higher detection rates in the second screening round than observed. These observed rates could be reproduced when assuming that FIT systematically missed 26% of advanced and 73% of nonadvanced adenomas. To reduce the false‐positive rate in the second round to the observed level, the authors also had to assume that 30% of false‐positive findings were systematically false‐positive. Systematic false‐negative FIT testing limits the long‐term reduction of biennial FIT screening in the incidence of colorectal cancer (35.6% vs 40.9%) and its mortality (55.2% vs 59.0%) in participants.CONCLUSIONSThe results of the current study provide convincing evidence based on the combination of real‐life and modeling data that a percentage of adenomas are systematically missed by repeat FIT screening. This impairs the efficacy of FIT screening. Cancer 2016;122:1680‐8. © 2016 American Cancer Society.
Olaparib maintenance therapy in patients with platinum‐sensitive, relapsed serous ovarian cancer and a BRCA mutation: Overall survival adjusted for postprogression poly(adenosine diphosphate ribose) polymerase inhibitor therapy
Authors: Matulonis Ursula A. , Harter Philipp , Gourley Charlie , Friedlander Michael , Vergote Ignace , Rustin Gordon , Scott Clare , Meier Werner , Shapira‐Frommer Ronnie , Safra Tamar , Matei Daniela , Fielding Anitra , Spencer Stuart , Parry David , Grinsted Lynda , Ledermann Jonathan A. 
Published: April 2016

BACKGROUNDMaintenance treatment with the oral poly(adenosine diphosphate ribose) polymerase (PARP) inhibitor olaparib (Lynparza) in Study 19 (study number, D0810C00019; ClinicalTrials.gov identifier, NCT00753545) significantly improved progression‐free survival in comparison with a placebo for patients with platinum‐sensitive, relapsed serous ovarian cancer with a BRCA1/2 mutation (BRCAm), but an interim analysis revealed no statistically significant overall survival (OS) benefit. However, 23% of the patients receiving the placebo switched to a PARP inhibitor after progression. To investigate whether this had a confounding effect on OS, this article reports an exploratory post hoc analysis that excluded all patients from sites where 1 or more placebo patients received postprogression PARP inhibitor treatment.METHODSIn Study 19, 136 of the 265 patients receiving olaparib or a placebo had a BRCAm. Sixteen patients treated at 11 of the 82 investigational sites received a PARP inhibitor after progression; these sites were excluded from this analysis, and 97 BRCAm patients at 50 sites were included. OS was assessed with a Cox proportional hazards model analogous to the primary study analysis. A supporting rank‐preserving structural failure time (RPSFT) model analysis was undertaken for all 136 BRCAm patients.RESULTSThe OS hazard ratio (HR) was 0.52 (95% confidence interval [CI], 0.28‐0.97) for the 97 BRCAm patients, whereas for the interim OS analysis with all 136 BRCAm patients, it was 0.73 (95% CI, 0.45‐1.17). The supportive RPSFT analysis HR was approximately 0.66.CONCLUSIONSThe numerical improvement in the OS HR suggests that in Study 19, postprogression PARP inhibitor treatment had a confounding influence on the interim OS analysis for BRCAm patients. There is a degree of uncertainty due to the small sample size and the lack of data maturity. Cancer 2016;122:1844–52. © 2016 American Cancer Society.
Progress in Biomedical Applications of Functionalized Nucleic Acid Nanodevices (NANDs)
Authors: Wu Guangqi , Lu Hua 
Published: April 2016

AbstractDNA and RNA are building blocks with excellent programmability for nanoscale assembly. Owing to their appealing properties such as precision in bottom‐up fabrication, enhanced stability and cellular internalization, designed nucleic acid nanodevices (NANDs) have been widely explored in biomedical research. Compared with pristine nucleic acids, chemically modified NANDs exhibit a wider spectrum of applicability. In this Focus Review, we highlight recent advances of NANDs functionalized with small molecules, peptides/proteins or inorganic materials, and elucidate their promising future for biomedical application.
Preparation of Pt‐Intercalated KCa2Nb3O10 Nanosheets and Their Photocatalytic Activity for Overall Water Splitting
Authors: Oshima Takayoshi , Lu Daling , Maeda Kazuhiko 
Published: April 2016

AbstractPt‐deposited KCa2Nb3O10 restacked nanosheets were studied as water splitting photocatalysts under UV and visible irradiation (λ≥300 nm). Nanoparticulate Pt species were intercalated into the gallery space of KCa2Nb3O10 restacked nanosheets by using the electrostatic interaction between the anionic nanosheets and a cationic Pt precursor, followed by H2 reduction at 373–973 K. Although differences in the Pt size distribution were observed, Pt nanoparticles <2 nm in size were mainly deposited at temperatures below 673 K, owing to the suppression of Pt aggregation that originated from steric hindrance of the interlayer nanospace. On the other hand, the valence state of Pt varied from oxide to metal, accompanied with a change in the location from the interlayer space to the external surface, as the reduction temperature was increased. The highest water splitting activity was obtained at 473 K, where the Pt species were mainly loaded as nanoparticles that had <1 nm size and electron‐deficient states.
Intercalation Pseudocapacitance of Exfoliated Molybdenum Disulfide for Ultrafast Energy Storage
Authors: Yoo Hyun Deog , Li Yifei , Liang Yanliang , Lan Yucheng , Wang Feng , Yao Yan 
Published: April 2016

AbstractWe report intercalation pseudocapacitance of 250 F g−1 for exfoliated molybdenum disulfide (MoS2) in non‐aqueous electrolytes that contain lithium ions. The exfoliated MoS2 shows surface‐limited reaction kinetics with high rate capability up to 3 min of charge or discharge. The intercalation pseudocapacitance originates from the extremely fast kinetics due to the enhanced ionic and electronic transport enabled by the slightly expanded layer structure as well as the metallic 1T‐phase. The exfoliated MoS2 could be also used in a Li‐Mg‐ion hybrid capacitor, which shows full cell specific capacitance of 240 F g−1.
A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives
Authors: Jaunet‐Lahary Titouan , Goupille Anaïs , Jacquemin Denis , Fleury Fabrice , Graton Jérôme , Laurent Adèle D. 
Published: April 2016

Abstract4,4′‐Diisothiocyanostilbene‐2,2′‐disulfonic acid (DIDS) is a well‐known ion‐exchange inhibitor targeting cardiac functions and indirectly impeding both radio‐ and chemo‐resistance. A joint computational and experimental study is presented to provide deeper insights into DIDS and other members of this family of compounds. To this end, we applied state‐of‐the‐art density functional theory (DFT) and time‐dependent DFT methods, in addition to measuring the optical properties. The experimental data show that such compounds are highly sensitive to their environment and that the optical properties change within as little time as 7 h. However, the optical properties of DIDS are similar in various acidic/basic environments, which were confirmed by pKa computations on both cis and trans isomers. The protonation analysis also highlights that the singly protonated form of DIDS behaves like a proton sponge compound. The experimentally observed redshift that can be seen when going from water to DMSO was reproduced solely by using the solvation model based on density, although the polarization continuum model and implicit/explicit hybrid schemes were also tested. The characteristic broadening of the absorption peak in water and the vibronic fine structure in DMSO were also reproduced thanks to vibronic coupling simulations associated with the solvent reorganization energy. For other stilbene derivatives, a correlation is found between the maximum absorption wavelength and the Hammett parameters.
Influence of Ligands on the Formation of Kesterite Thin Films for Solar Cells: A Comparative Study
Authors: Huang Tang Jiao , Yin Xuesong , Tang Chunhua , Qi Guojun , Gong Hao 
Published: April 2016

AbstractThe preparation of solar‐cell‐grade Cu2ZnSnS4 (CZTS) thin films from ligand‐capped small‐grained CZTS particles remains hindered by problems of phase segregation, composition non‐uniformity, and in particular carbon‐layer formation. Herein, through a systematic comparative study of annealed films of CZTS nanocrystals prepared using conventional oleylamine and those prepared using formamide, these problems are found to be mainly attributable to the influence of the ligands, and mechanisms are proposed. Importantly, the origin of the carbon layer in oleylamine‐capped CZTS films is revealed to be the reaction between oleylamine and sulfur. This carbon layer has a very poor electrical conductivity, which can be the reason for the limited performance of such films. Fortunately, these problems can almost all be avoided by replacing oleylamine with formamide to form CZTS films.
Application of Returned Cell Block Method (Cell Block from a Papanicolaou Staining Smear on a Glass Slide) for the Evaluation of Fine Needle Aspiration Cytology of Tumors of the Breast
Authors: Azami Shiho , Aoki Yuuji , Ogura Kanako , Kojima Kuniaki , Matsumoto Toshiharu 
Published: April 2016

BackgroundIn the fine needle aspiration cytology (FNAC) for tumors of the breast, evaluation is frequently difficult because of the thick‐layered cell clusters and blood inclusion. Such problems may be resolved by the returned cell block method, but its use has not spread worldwide. Here, we examined the application of the returned cell block method to cases involving difficulty in the evaluation of FNAC to diagnose tumors of the breast.MethodsIn Juntendo University Nerima Hospital, there were 22 cases which were difficult to diagnose by Papanicolaou stain only, and they underwent additional examination using the returned cell block method (cell block from a Papanicolaou staining smear on a glass slide). The usefulness of the returned cell block method in these cases was examined.ResultsAmong the 22 cases, a correct diagnosis was facilitated in 20 cases using the returned cell block method. In 16 of the 20 cases, the difficulty in FNAC was because of thick‐layered cell clusters (12 cases) and blood inclusion (four cases). Among the 12 cases with difficulty because of the thick‐layered cell clusters, 10 cases (83%) comprised intraductal papilloma (six cases) and intraductal papillary carcinoma (four cases). Papilloma and papillary carcinoma were correctly diagnosed by the addition of histological images and immunostaining of myoepithelial cells using the returned cell block method.ConclusionThe application of the returned cell block method is useful for precise evaluation of the cytological diagnosis of tumors of the breast, especially papillary lesions. Diagn. Cytopathol. 2016;44:505–511. © 2016 The Authors Diagnostic Cytopathology Published by Wiley Periodicals, Inc.
Within‐persons predictors of change during eating disorders treatment: An examination of self‐compassion, self‐criticism, shame, and eating disorder symptoms
Authors: Kelly Allison C. , Tasca Giorgio A. 
Published: April 2016

ABSTRACTObjectiveAttempts to identify the predictors of change during eating disorders treatment have focused almost exclusively on identifying between‐persons factors (i.e., differences between patients). Research on within‐person predictors of change (i.e., variations within patients over time) may provide novel and clinically useful information. To illustrate, we test the theory that within patients, self‐compassion, self‐criticism, shame, and eating disorder symptoms reciprocally influence one another over time.MethodSeventy‐eight patients with an eating disorder completed the Self‐Compassion Scale, Experience of Shame Scale, and Eating Disorder Examination Questionnaire every three weeks across 12 weeks of treatment.ResultsMultilevel modeling revealed that following periods of increased shame, a patient's eating pathology was more severe than usual. Following periods of increased self‐compassion or decreased eating pathology, a patient's level of shame was lower than usual. Between‐person differences in the relationships among study variables also emerged.DiscussionResults support the theory that shame and eating pathology influence one another cyclically within patients over time, and suggest that time‐dependent increases in self‐compassion may interrupt this cycle. If replicated, these results might suggest that assessing and intervening with increases in a patient's level of shame may help to reduce her eating pathology, and improving a patient's level of self‐compassion or eating disorder symptomology may lower her subsequent experiences of shame. Findings highlight the value of administering and examining repeatedly measured within‐person predictors of change during eating disorders treatment, and suggest that it may be clinically important to attend to the changes that occur within a given patient over time. © 2016 Wiley Periodicals, Inc. (Int J Eat Disord 2016; 49:716–722)
Lateral plate number in low‐plated threespine stickleback: a study of plasticity and heritability
Authors: Hansson Truls H. , Fischer Barbara , Mazzarella Anna B. , Voje Kjetil L. , Vøllestad Leif Asbjørn 
Published: April 2016

AbstractIn the threespine sticklebackGasterosteus aculeatusmodel system, phenotypes are often classified into three morphs according to lateral plate number. Morph identity has been shown to be largely genetically determined, but substantial within‐morph variation in plate number exists. In this study, we test whether plate number has a plastic component in response to salinity in the low‐plated morph using a split‐clutch experiment where families were split in two, one half raised in water at 0 and the other at 30 ppt salt. We find a small salinity‐induced plastic effect on plate number in an unexpected direction, opposite to what we predicted: Fish raised in freshwater on average have slightly more plates than fish raised in saltwater. Our results confirm that heritability of plate number is high. Additionally, we find that variance in plate number at the family level can be predicted from other family level traits, which might indicate that epistatic interactions play a role in creating the observed pattern of lateral plate number variation.
Estimating population size using single‐nucleotide polymorphism‐based pedigree data
Authors: Spitzer Robert , Norman Anita J. , Schneider Michael , Spong Göran 
Published: April 2016

AbstractReliable population estimates are an important aspect of sustainable wildlife management and conservation but can be difficult to obtain for rare and elusive species. Here, we test a new census method based on pedigree reconstruction recently developed by Creel and Rosenblatt (2013). Using a panel of 96 single‐nucleotide polymorphisms (SNPs), we genotyped fecal samples from two Swedish brown bear populations for pedigree reconstruction. Based on 433 genotypes from central Sweden (CS) and 265 from northern Sweden (NS), the population estimates (N = 630 for CS, N = 408 for NS) fell within the 95% CI of the official estimates. The precision and accuracy improved with increasing sampling intensity. Like genetic capture–mark–recapture methods, this method can be applied to data from a single sampling session. Pedigree reconstruction combined with noninvasive genetic sampling may thus augment population estimates, particularly for rare and elusive species for which sampling may be challenging.