bluuebunny/crossref_metadata_2025_split huggingface dataset:
High Surface Area Nano‐Boehmite as Effective Nano‐Filler for Preparation of Boehmite‐Polyamide‐6 Nanocomposites
Authors: Mohammadnezhad Gholamhossein , Dinari Mohammad , Nabiyan Afshin 
Published: October 2016

AbstractModified high surface area nano‐boehmite particles (mB), as effective nano‐filler, and polyamide‐6, as a polymer matrix, were used for preparation of new nanocomposites. In this regards, bulk interaction method was used for such an objective and 3‐mercaptopropyl‐trimethoxysilane was selected as a modifier. In this method, the modified boehmite‐polyamide‐6 nanocomposites (mB‐PA6 NCs) were prepared under reflux condition and sonication subsequently. The prepared novel NCs were characterized by Fourier transform infrared spectroscopy (FT‐IR), X‐ray diffraction (XRD), field‐emission scanning electron microscopy (FE‐SEM) and transmission electron microscopy (TEM) techniques. Thermo‐gravimetric analysis (TGA) results showed an increase in onset of decomposition temperature for the NCs to that of pristine polyamide‐6. Furthermore, as the amount of mB was increased the onset of decomposition temperature shifts more toward higher temperatures. However, TEM images of mB‐PA6 NCs display exactly and clearly that mB particles are present in the quantum dots scale in PA6 matrix.
Phylogeny of the jacchus group of Callithrix marmosets based on complete mitochondrial genomes
Authors: Malukiewicz Joanna , Hepp Crystal M. , Guschanski Katerina , Stone Anne C. 
Published: October 2016

AbstractObjectivesTwo subgroups make up the marmoset genus Callithrix. The “aurita” group is composed of two species, whereas evolutionary relationships among the four species of the “jacchus” group remain unclear. To uncover these relationships, we first sequenced mitochondrial genomes for C. kuhlii and C. penicillata to complement data available for congeners. We then constructed a phylogenetic tree based on mtDNA heavy chain protein coding genes from several primates to untangle species relationships and estimate divergence times of the jacchus group.Materials and MethodsMtDNA genomes of C. kuhlii and C. penicillata were Sanger sequenced. These Callithrix mitogenomes were combined with other publically available primate mtDNA genomes. Phylogenies were produced using maximum likelihood and Bayesian inference. Finally, divergence times within the jacchus group of marmosets were estimated with Bayesian inference.ResultsIn our phylogenetic tree, C. geoffroyi was the sister to all other jacchus group species, followed by C. kuhlii, while C. jacchus and C. penicillata diverged most recently. Bayesian inference showed that C. jacchus and C. penicillata diverged approximately 0.70 MYA and that the jacchus group radiated approximately 1.30 MYA.DiscussionCallithrix nuclear and mtDNA phylogenies frequently result in polytomies and paraphyly. Here, we present a well‐supported phylogenetic tree based on mitochondrial genome sequences, which facilitates the understanding of the divergence of the jacchus marmosets. Our results demonstrate how mitochondrial genomes can enrich Callithrix phylogenetic studies by alleviating some of the difficulties faced by previous mtDNA studies and allow formulation of hypotheses to test further under larger genomic‐scale analyses.
Cellulose‐Nanokristalle in hoher Ausbeute durch Abbau und Kristallisation von Cellulose mittels gasförmigem Chlorwasserstoff
Authors: Kontturi Eero , Meriluoto Anne , Penttilä Paavo A. , Baccile Niki , Malho Jani‐Markus , Potthast Antje , Rosenau Thomas , Ruokolainen Janne , Serimaa Ritva , Laine Janne , Sixta Herbert 
Published: October 2016

AbstractIm Pflanzenreich kommt der Cellulose eine zentrale, strukturgebende Rolle zu. Daneben gibt es jedoch unzählige Bestrebungen, dieses doch widerspenstige Polysaccharid abzubauen, vor allem im Zusammenhang mit der Gewinnung von Biokraftstoffen und erneuerbaren Nanomaterialien. Die vorliegende Arbeit zeigt, wie die Behandlung von cellulosischen Fasern mit gasförmigem Chlorwasserstoff zu einem schnellen Abbau bei gleichzeitiger Kristallisation führt. Aufgrund der unveränderten Probentextur und dem fehlenden Stoffaustrag im vorliegenden Gas/Feststoff‐System können die Veränderungen der Kristallinität zuverlässig untersucht werden. Hierdurch eröffnet sich ein Weg zur Herstellung von Cellulose‐Nanokristallen in hoher Ausbeute bei minimalem Wasserverbrauch. Supramolekulare Feststoffeigenschaften von morphologisch heterogenen biologischen Materialien können gezielt angepasst werden.
Verbesserung der Dispersion der chemischen Verschiebungen von unstrukturierten Proteinen durch einen kovalent gebundenen Lanthanoidkomplex
Authors: Göbl Christoph , Resch Moritz , Strickland Madeleine , Hartlmüller Christoph , Viertler Martin , Tjandra Nico , Madl Tobias 
Published: October 2016

AbstractDie Erforschung von intrinsisch unstrukturierten Proteinen (IDPs) mit NMR‐spektroskopischen Methoden wird oftmals durch starke Überlagerung der Proteinsignale erschwert. Dies führt zu uneindeutigen Zuordnungen dieser Signale und erschwert die Datenanalyse, in welcher oftmals eine gute Separierung der Signale die Grundlage der Dateninterpretation bildet. In dieser Arbeit berichten wir von der Möglichkeit, einen Lanthanoidkomplex kovalent an das Zielprotein zu binden, der zu einer erhöhten Dispersion der Signale führt. Wir zeigen diesen Effekt an Proteinen mit sich wiederholenden Aminosäuresequenzen, welche somit besonders von Signalüberlappung betroffen sind. Die Bindung eines DOTA‐basierten Lanthanoidkomplexes an ein Cystein führt zu pseudochemischen Verschiebungen (PCS), die noch in mehr als 20 Aminosäureresten entfernten Regionen detektierbar sind. Die stark erhöhte Dispersion der beobachteten Signale führt zu einer beträchtlichen Erleichterung in der Zuordnung und Datenauswertung.
Synthesis of Chemically Asymmetric Silica Nanobottles and Their Application for Cargo Loading and as Nanoreactors and Nanomotors
Authors: Yi Deliang , Zhang Qian , Liu Yinghua , Song Jiaying , Tang Yi , Caruso Frank , Wang Yajun 
Published: October 2016

AbstractWe report the synthesis of chemically asymmetric silica nanobottles (NBs) with a hydrophobic exterior surface (capped with 3‐chloropropyl groups) and a hydrophilic interior surface for spatially selective cargo loading, and for application as nanoreactors and nanomotors. The silica NBs, which have a “flask bottle” shape with an average diameter of 350 nm and an opening of ca. 100 nm, are prepared by anisotropic sol–gel growth in a water/n‐pentanol emulsion. Due to their chemically asymmetric properties, nanoparticles (NPs) with hydrophilic or hydrophobic surface properties can be selectively loaded inside the NBs or on the outside of the NBs, respectively. A high‐performance nanomotor is constructed by selectively loading catalytically active hydrophilic Pt NPs inside the NBs. It is also demonstrated that these NBs can be used as vessels for various reactions, such as the in situ synthesis of Au NPs, and using Au NP‐loaded NBs as nanoreactors for catalytic reactions.
Mechanochemically Induced Conversion of Crystalline Benzamide Polymorphs by Seeding
Authors: Fischer Franziska , Greiser Sebastian , Pfeifer Dietmar , Jäger Christian , Rademann Klaus , Emmerling Franziska 
Published: October 2016

AbstractBenzamide has been known for its polymorphism for almost 200 years. Three polymorphic forms are described. To date, it was only possible to crystallize a metastable form in a mixture together with the thermodynamically most stable form I. A complete transformation of form I into the metastable form III by mechanochemical treatment has been achieved. Catalytic amounts of nicotinamide seeds were used to activate the conversion by mechanochemical seeding. NMR experiments indicated that the nicotinamide molecules were incorporated statistically in the crystal lattice of benzamide form III during the conversion. The transformation pathway was evaluated using in situ powder X‐ray diffraction.
A Minimal, Unstrained S‐Allyl Handle for Pre‐Targeting Diels–Alder Bioorthogonal Labeling in Live Cells
Authors: Oliveira Bruno L. , Guo Zijian , Boutureira Omar , Guerreiro Ana , Jiménez‐Osés Gonzalo , Bernardes Gonçalo J. L. 
Published: October 2016

AbstractThe unstrained S‐allyl cysteine amino acid was site‐specifically installed on apoptosis protein biomarkers and was further used as a chemical handle and ligation partner for 1,2,4,5‐tetrazines by means of an inverse‐electron‐demand Diels–Alder reaction. We demonstrate the utility of this minimal handle for the efficient labeling of apoptotic cells using a fluorogenic tetrazine dye in a pre‐targeting approach. The small size, easy chemical installation, and selective reactivity of the S‐allyl handle towards tetrazines should be readily extendable to other proteins and biomolecules, which could facilitate their labeling within live cells.
Iridium(III) Complexes Bearing Pyrene‐Functionalized 1,10‐Phenanthroline Ligands as Highly Efficient Sensitizers for Triplet–Triplet Annihilation Upconversion
Authors: Lu Yue , Wang Junsi , McGoldrick Niamh , Cui Xiaoneng , Zhao Jianzhang , Caverly Colin , Twamley Brendan , Ó Máille Gearoid M. , Irwin Bryan , Conway‐Kenny Robert , Draper Sylvia M. 
Published: October 2016

Abstract“Chemistry‐on‐the‐complex” synthetic methods have allowed the selective addition of 1‐ethynylpyrene appendages to the 3‐, 5‐, 3,8‐ and 5,6‐positions of IrIII‐coordinated 1,10‐phenanthroline via Sonogashira cross‐coupling. The resulting suite of complexes has given rise to the first rationalization of their absorption and emission properties as a function of the number and position of the pyrene moieties. Strong absorption in the visible region (e.g. 3,8‐substituted Ir‐3: λabs=481 nm, ϵ=52 400 m−1 cm−1) and long‐lived triplet excited states (e.g. 5‐substituted Ir‐2: τT=367.7 μs) were observed for the complexes in deaerated CH2Cl2. On testing the series as triplet sensitizers for triplet–triplet annihilation upconversion, those IrIII complexes bearing pyrenyl appendages at the 3‐ and 3,8‐positions (Ir‐1, Ir‐3) were found to give optimal upconversion quantum yields (30.2 % and 31.6 % respectively).
Cooperative Catalysis and Activation with N‐Heterocyclic Carbenes
Authors: Wang Michael H. , Scheidt Karl A. 
Published: October 2016

AbstractN‐Heterocyclic carbene (NHC) catalysis has emerged as a powerful stratagem in organic synthesis to construct complex molecules primarily by polarity reversal (umpolung) approaches. These unique Lewis bases have been used to generate acyl anions, enolates, and homoenolates in catalytic fashion. Recently, a new strategy has emerged that dramatically expands the synthetic utility of carbene catalysis by leveraging additional activation modes: cooperative catalysis. The careful selection and balance of cocatalysts have led to enhanced reactivity, increased yields, and improved stereoselectivity. In certain cases, these catalytic additives have changed the regioselectivity or diastereoselectivity. This Minireview highlights new advances in NHC cooperative catalysis and surveys the evolution of this field.
Alternating Sequence Control for Carboxylic Acid and Hydroxy Pendant Groups by Controlled Radical Cyclopolymerization of a Divinyl Monomer Carrying a Cleavable Spacer
Authors: Ouchi Makoto , Nakano Marina , Nakanishi Tomoya , Sawamoto Mitsuo 
Published: October 2016

AbstractBy utilizing features of the hemiacetal ester (HAE) bond: easy formation from vinyl ether and carboxylic acid and easy cleavage into different functional groups (‐COOH and ‐OH), we achieved control of the alternating sequence of two functional pendant groups of a vinyl copolymer. Methacrylate‐ and acrylate‐based vinyl groups were connected through HAE bonds to prepare a cleavable divinyl monomer, which was cyclo‐polymerized under optimized conditions in a ruthenium‐catalyzed living radical polymerization. Subsequent cleavage of the HAE bonds in the resultant cyclo‐pendant led to a copolymer consisting of alternating methacrylic acid and 2‐hydroxyethyl acrylate units as analyzed by 13C NMR spectroscopy. The alternating sequence of ‐COOH and ‐OH pendants specifically provided a lower critical solution temperature (LCST) in an ether solvent, which was not observed with the random copolymer of same composition ratio.
Increasing the Chemical‐Shift Dispersion of Unstructured Proteins with a Covalent Lanthanide Shift Reagent
Authors: Göbl Christoph , Resch Moritz , Strickland Madeleine , Hartlmüller Christoph , Viertler Martin , Tjandra Nico , Madl Tobias 
Published: October 2016

AbstractThe study of intrinsically disordered proteins (IDPs) by NMR often suffers from highly overlapped resonances that prevent unambiguous chemical‐shift assignments, and data analysis that relies on well‐separated resonances. We present a covalent paramagnetic lanthanide‐binding tag (LBT) for increasing the chemical‐shift dispersion and facilitating the chemical‐shift assignment of challenging, repeat‐containing IDPs. Linkage of the DOTA‐based LBT to a cysteine residue induces pseudo‐contact shifts (PCS) for resonances more than 20 residues from the spin‐labeling site. This leads to increased chemical‐shift dispersion and decreased signal overlap, thereby greatly facilitating chemical‐shift assignment. This approach is applicable to IDPs of varying sizes and complexity, and is particularly helpful for repeat‐containing IDPs and low‐complexity regions. This results in improved efficiency for IDP analysis and binding studies.
Exploring the Binding Proteins of Glycolipids with Bifunctional Chemical Probes
Authors: Liu Xiaohui , Dong Ting , Zhou Yu , Huang Niu , Lei Xiaoguang 
Published: October 2016

AbstractGlycolipids are important structural components of biological membranes and perform crucial functions in living systems, including signaling transduction and interaction with extracellular environment. However, the mechanistic exploration of glycolipids in vivo is challenging because they are not genetically encoded. Herein, we designed and synthesized a series of bifunctional monogalactosyldiacylglycerol (MGDG) probes as a model by introducing diazirine and terminal alkyne moieties on an aliphatic chain. In combination with proteome profiling and molecular modeling, we have demonstrated that MGDG alleviates inflammation by antagonizing TLR4.
Evaluation of species difference in peripheral lymphocyte reduction effect of CS‐0777, a sphingosine 1‐phosphate receptor modulator, based on a pharmacokinetic/pharmacodynamic model analysis
Authors: Inaba Shin‐ichi , Goto Maki , Tanaka‐takanaka Kaoru , Tanaka Hisako , Tomisato Wataru , Yuita Hiroshi , Doi‐Komuro Hiromi , Inoue Ryotaku , Oshima Keiko , Kagari Takashi , Shimozato Takaichi , Izumi Takashi 
Published: October 2016

AbstractPharmacokinetic (PK) and pharmacodynamic (PD) modeling was conducted for the reduction of peripheral lymphocytes after oral administration of CS‐0777 to healthy rats, monkeys and experimental autoimmune encephalomyelitis (EAE) induced rats. The phosphorylated active metabolite of CS‐0777, M1, is a selective sphingosine 1‐phosphate receptor‐1 modulator. A linear one‐ and two‐compartment model with a reversible metabolism process characterized the time courses of CS‐0777 and M1 concentrations in rats and monkeys, respectively. The relationship between lymphocyte counts and M1 concentrations in blood was well described by an indirect response model in all animals examined. An Imax of 0.815 and an IC50 of 6.58 nM in healthy rats, an Imax of 0.807 and an IC50 of 5.09 nM in the EAE rats, an Imax of 0.789 and an IC50 of 0.484 nM in monkeys were estimated by the indirect PD model. Since the IC50 values calculated in terms of the unbound plasma concentration in rats and monkeys were within a similar range, after correction of the IC50 in blood described above with the blood to plasma concentration ratio and the plasma free fraction of M1, it was revealed that there is no species difference in the essential activity of M1 against lymphocyte reduction. The sensitivity of the lymphocytes to M1 was not affected by the EAE status. Comparison of the simulated lymphocyte reduction in EAE rats after multiple dosing with CS‐0777 and the actual EAE clinical scores implies that the significant suppressive effect on EAE did not require the elimination of all lymphocytes from the blood. Copyright © 2016 John Wiley & Sons, Ltd.
Network meta-analysis of protocol-driven care and laparoscopic surgery for colorectal cancer
Authors: Currie A C , Malietzis G , Jenkins J T , Yamada T , Ashrafian H , Athanasiou T , Okabayashi K , Kennedy R H 
Published: October 2016

Abstract

Background
Laparoscopic approaches and standardized recovery protocols have reduced morbidity following colorectal cancer surgery. As the optimal regimen remains inconclusive, a network meta-analysis was undertaken of treatments for the development of postoperative complications and mortality.

Methods
MEDLINE, Embase, trial registries and related reviews were searched for randomized trials comparing laparoscopic and open surgery within protocol-driven or conventional perioperative care for colorectal cancer resection, with complications as a defined endpoint. Relative odds ratios (ORs) for postoperative complications and mortality were estimated for aggregated data.

Results
Forty trials reporting on 11 516 randomized patients were included with the network. Open surgery within conventional perioperative care was the index for comparison. The OR relating to complications was 0·77 (95 per cent c.i. 0·65 to 0·91) for laparoscopic surgery within conventional care, 0·69 (0·48 to 0·99) for open surgery within protocol-driven care, and 0·43 (0·28 to 0·67) for laparoscopic surgery within protocol-driven care. Sensitivity analyses excluding trials of low rectal cancer and those with a high risk of bias did not affect the treatment estimates. Meta-analyses demonstrated that mortality risk was unaffected by perioperative strategy.

Conclusion
Laparoscopic surgery combined with protocol-driven care reduces colorectal cancer surgery complications, but not mortality. The reduction in complications with protocol-driven care is greater for open surgery than for laparoscopic approaches. Registration number: CRD42015017850 (https://www.crd.york.ac.uk/PROSPERO)
Oncological impact of anastomotic leakage after laparoscopic mesorectal excision
Authors: Hain E , Maggiori L , Manceau G , Mongin C , Prost à la Denise J , Panis Y 
Published: October 2016

Abstract

Background
The effect of anastomotic leakage on oncological outcomes after total mesorectal excision (TME) is controversial. This study aimed to assess the influence of symptomatic and asymptomatic anastomotic leakage on oncological outcomes after laparoscopic TME.

Methods
All patients who underwent restorative laparoscopic TME for rectal adenocarcinoma with curative intent from 2005 to 2014 were identified from an institutional database. Asymptomatic anastomotic leakage was defined by CT performed systematically 4–8 weeks after rectal surgery, with no relevant clinical symptoms or laboratory examination findings during the postoperative course.

Results
Of a total of 428 patients, anastomotic leakage was observed in 120 (28·0 per cent) (50 asymptomatic, 70 symptomatic). After a mean follow-up of 40 months, local recurrence was observed in 36 patients (8·4 per cent). Multivariable Cox regression identified three independent risk factors for reduced local recurrence-free survival (LRFS): symptomatic anastomotic leakage (odds ratio (OR) 2·13, 95 per cent c.i. 1·29 to 3·50; P = 0·003), positive resection margin (R1) (OR 2·41, 1·40 to 4·16; P = 0·001) and pT3–4 category (OR 1·77, 1·08 to 2·90; P = 0·022). Patients with no risk factor for reduced LRFS had an estimated 5-year LRFS rate of 87·7(s.d. 3·2) per cent, whereas the rate dropped to 75·3(4·3) per cent with one risk factor, 67(7) per cent with two risk factors, and 14(13) per cent with three risk factors (P &lt; 0·001). Asymptomatic anastomotic leakage was not significantly associated with LRFS in multivariable analysis.

Conclusion
Symptomatic anastomotic leakage is a risk factor for disease recurrence in patients with rectal adenocarcinoma.
Cultural Identity and the Expression of Depression: A Social Identity Perspective
Authors: Chang Melissa Xue‐Ling , Jetten Jolanda , Cruwys Tegan , Haslam Catherine 
Published: October 2016

AbstractThe present research interrogates the greater tendency for Chinese people to somaticize depression relative to Westerners. Drawing from a social identity perspective, three studies were conducted examining the role that cultural norms play in symptom expression. In an initial study, we confirmed greater somatization, minimization of distress and suppression of emotional expression among Chinese participants compared with Australians (Study 1). Asian normative expectations of collectivism moderated these effects such that somatization was higher among those who endorsed collectivism norms, but only among Chinese participants. Studies 2a and 2b found that only when Asian participants identified strongly with Asian culture did collectivism norms predict somatic symptoms. These findings have implications for practitioners working with people from Asian cultures, highlighting that it is not culture per se, but the endorsement of normative expectations in the context of strong identification with cultural groups that predicts which symptoms of depression are emphasized. Copyright © 2016 John Wiley & Sons, Ltd.
Targeting EphA2‐Sam and Its Interactome: Design and Evaluation of Helical Peptides Enriched in Charged Residues
Authors: Mercurio Flavia A. , Marasco Daniela , Di Natale Concetta , Pirone Luciano , Costantini Susan , Pedone Emilia M. , Leone Marilisa 
Published: October 2016

AbstractThe EphA2 receptor controls diverse physiological and pathological conditions and its levels are often upregulated in cancer. Targeting receptor overexpression, through modulation of endocytosis and consequent degradation, appears to be an appealing strategy for attacking tumor malignancy. In this scenario, the Sam domain of EphA2 plays a pivotal role because it is the site where protein regulators of endocytosis and stability are recruited by means of heterotypic Sam–Sam interactions. Because EphA2‐Sam heterotypic complexes are largely based on electrostatic contacts, we have investigated the possibility of attacking these interactions with helical peptides enriched in charged residues. Several peptide sequences with high predicted helical propensities were designed, and detailed conformational analyses were conducted by diverse techniques including NMR, CD, and molecular dynamics (MD) simulations. Interaction studies were also performed by NMR, surface plasmon resonance (SPR), and microscale thermophoresis (MST) and led to the identification of two peptides capable of binding to the first Sam domain of Odin. These molecules represent early candidates for the generation of efficient Sam domain binders and antagonists of Sam–Sam interactions involving EphA2.
Procedural Rate Enhancement of Lean Aqueous Hydroformylation of 1‐Octene without Additives
Authors: Warmeling Helge , Koske Rico , Vorholt Andreas J. 
Published: October 2016

AbstractThe procedural rate enhancement of a liquid‐liquid gas reaction system by example of the biphasic hydroformylation of 1‐octene in miniplant scale is presented. Different stirring techniques were applied on a lean reaction system without the use of chemical additives to increase the internal surface area. Reaction rates were doubled compared to standard laboratory stirring methods. While the reaction rate showed a logarithmic relation towards the rate of energy dissipation, it was nearly linearly related to the created interfacial area between organic and aqueous phase. Obtained results support the intensively discussed theory that the reaction takes place at the surface. This study also underlines the importance of procedural optimization in multiphase reactions.