bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modification of poly(ethylene terephthalate) by combination of reactive extrusion and followed solid‐state polycondensation for melt foaming
Authors: Yan Haichao , Yuan Haitao , Gao Feng , Zhao Ling , Liu Tao 
Published: July 2015

ABSTRACTA combination of reactive extrusion and followed solid‐state polycondensation (SSP) was applied to modify the virgin fiber grade poly(ethylene terephthalate) (v‐PET) and recycled bottle‐grade PET (r‐PET) for melt foaming. Pyromellitic dianhydride (PMDA) and triglycidyl isocyanurate (TGIC) were chosen as the modifiers for the reactive extrusion performed in a twin‐screw extruder. For comparison, commercially available chain extender ADR JONCRYL ADR‐4370‐S was also used. The characterizations of the intrinsic viscosity, i.e., [η], and rheological properties whose changes were correlated to the long chain branches introduced in the molecular structure were performed on the modified PET to evaluate their chain extension extent. The results revealed that the [η] of 1.37 dL/g was obtained for PMDA modified v‐PET while that of 1.15 dL/g for TGIC modified r‐PET. Such difference was attributed to the different reactivity of the two chain extenders with the two types of PET. Increases in shear viscosity and storage modulus, and the high pronounced shear thinning behavior were also observed in the modified PET. Finally, the foamability of the certain modified PET was verified by the batch melt foaming experiments. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42708.
Preparation of dual‐layer acetylated methyl cellulose hollow fiber membranes via co‐extrusion using thermally induced phase separation and non‐solvent induced phase separation methods
Authors: Jang Hanna , Song Du‐Hyun , Lee Hye‐Jin , Lim Seong‐Han , Kim In‐Chul , Kwon Young‐Nam 
Published: July 2015

ABSTRACTDual‐layer acetylated methyl cellulose (AMC) hollow fiber membranes were prepared by coupling the thermally induced phase separation (TIPS) and non‐solvent induced phase separation (NIPS) methods through a co‐extrusion process. The TIPS layer was optimized by investigating the effects of coagulant composition on morphology and tensile strength. The solvent in the aqueous coagulation bath caused both delayed liquid–liquid demixing and decreased polymer concentration at the membrane surface, leading to porous structure. The addition of an additive (triethylene glycol, (TEG)) to the NIPS solution resolved the adhesion instability problem of the TIPS and NIPS layers, which occurred due to the different phase separation rates. The dual‐layer AMC membrane showed good mechanical strength and performance. Comparison of the fouling resistance of the AMC membranes with dual‐layer polyvinylidene fluoride (PVDF) hollow fiber membranes fabricated with the same method revealed less fouling of the AMC than the PVDF hollow fiber membrane. This study demonstrated that a dual‐layer AMC membrane with good mechanical strength, performance, and fouling resistance can be successfully fabricated by a one‐step process of TIPS and NIPS. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42715.
Correlation of the Osteoarthritis Susceptibility Variants That Map to Chromosome 20q13 With an Expression Quantitative Trait Locus Operating on NCOA3 and With Functional Variation at the Polymorphism rs116855380
Authors: Gee Fiona , Rushton Michael D. , Loughlin John , Reynard Louise N. 
Published: July 2015

ObjectiveTo functionally characterize the osteoarthritis (OA) susceptibility variants that map to a region of high linkage disequilibrium (LD) on chromosome 20q13 marked by the single‐nucleotide polymorphism (SNP) rs6094710 and encompassing NCOA3 and SULF2.MethodsNucleic acids were extracted from the cartilage of OA patients. Overall and allelic expression of NCOA3 and SULF2 were measured by quantitative reverse transcription–polymerase chain reaction and pyrosequencing, respectively. The functional effect of SNPs within the 20q13 locus was assessed in vitro using luciferase reporter constructs and electrophoretic mobility shift assays (EMSAs). The in vivo effect of nuclear receptor coactivator 3 (NCOA3) protein depletion on primary human OA articular cartilage chondrocytes was assessed using RNA interference.ResultsExpression of NCOA3 correlated with the genotype at rs6094710 (P = 0.006), and the gene demonstrated allelic expression imbalance (AEI) in individuals heterozygous for the SNP (mean AEI 1.21; P < 0.0001). In both instances, expression of the OA‐associated allele was reduced. In addition, there was reduced enhancer activity of the OA‐associated allele of rs116855380, a SNP in perfect LD with rs6094710 in luciferase assays (P < 0.001). EMSAs demonstrated a protein complex binding with reduced affinity to this allele. Depletion of NCOA3 led to significant changes (all P < 0.05) in the expression of genes involved in cartilage homeostasis.ConclusionNCOA3 is subject to a cis‐acting expression quantitative trait locus in articular cartilage, which correlates with the OA association signal and with the OA‐associated allele of the functional SNP rs116855380, a SNP that is located only 10.3 kb upstream of NCOA3. These findings elucidate the effect of the association of the 20q13 region on OA cartilage and provide compelling evidence of a potentially causal candidate SNP.
Dynamic Covalent Chemistry of Nucleophilic Substitution Component Exchange of Quaternary Ammonium Salts
Authors: Kulchat Sirinan , Lehn Jean‐Marie 
Published: July 2015

AbstractDynamic covalent libraries (DCLs) of quaternary ammonium cations were set up by reversible nucleophilic substitution (SN2′ and SN2) exchange reactions of ammonium salts and tertiary amines. The reactions were conducted at 60 °C to generate thermodynamically and kinetically controlled mixtures of quaternary ammonium compounds and tertiary amines, and were accelerated by using iodide as a nucleophilic catalyst. Microwave irradiation was used to assist the exchange reaction between the pyridinium salts and pyridine derivatives. Finally, experiments towards the generation of dynamic ionic liquids were performed. The results of this study pave the way for the extension of dynamic combinatorial chemistry to nucleophilic substitution reactions.
Graphene / Single‐Walled Carbon Nanotube Composites Generated by Covalent Cross‐Linking
Authors: Pramoda K. , Kumar Ram , Rao C. N. R. 
Published: July 2015

AbstractComposites of graphene and single‐walled carbon nanotubes (SWNT) have been generated by covalent cross‐linking through two different coupling strategies, namely Sonogashira and EDC (1‐ethyl‐3‐(3‐dimethylaminopropyl)carbodiimide) coupling reactions. The obtained assemblies have been characterized by various microscopic and spectroscopic techniques. The assemblies obtained by Sonogashira coupling exhibit high surface area, the value increasing with the graphene content. The highest surface area obtained is 1260 m2 g−1 in the composition with highest graphene content (graphene:SWNT 1:4). These composites show a uniform slit‐shaped porous network with pores of approximately 1–2 nm. CO2 uptake of this assemblies is in the range 11–15 wt % at 273 K (1 atm) and 9–11 wt % at 298 K (1 atm), whereas the H2 uptake is in the 1–1.3 wt % range at 77 K (1 atm). The composites generated by Sonogashira coupling show superhydrophobicity with high contact angles in the range from 159–163°. The EDC‐coupled composites show less surface area than the composites from Sonogashira coupling.
Photoinduced Electron Transfer of Porphyrin Isomers: Impact of Molecular Structures on Electron‐Transfer Dynamics
Authors: Fujitsuka Mamoru , Majima Tetsuro 
Published: July 2015

AbstractPorphyrins have been investigated for a long time in various fields of chemistry owing to their excellent redox and optical properties. Structural isomers of porphyrins have been synthesized, namely, porphycene, hemiporphycene, and corrphycene. Although the number of studies on these structural isomers is limited, they exhibit interesting properties suitable for various applications such as photovoltaic devices, photocatalysts, and photodynamic therapy. In the present review, we summarized their photoinduced electron‐transfer processes, which are key steps of various photofunctions. Their electrochemical and photophysical properties are summarized as basic properties for the electron transfer. Furthermore, differences among these isomers in the electron‐transfer processes are clarified, and its origin has been discussed on the basis of their molecular structures.
6,7‐Bismethoxy‐2,11‐dihydroxytetraphenylene Derived Macrocycles: Synthesis, Structures, and Complexation with Fullerenes
Authors: Deng Chun‐Lin , Xiong Xiao‐Dong , Chik David T. W. , Cai Zongwei , Peng Xiao‐Shui , Wong Henry N. C. 
Published: July 2015

Abstract6,7‐Bismethoxy‐2,11‐dihydroxytetraphenylene (1), a novel building block of tetraphenylene‐derived macrocycles, was synthesized via palladium‐catalyzed cross‐coupling reactions and characterized by X‐ray diffraction. The relevant macrocyclic hosts derived from 1 have well‐defined structures with fixed conformations both in solution and solid state. They showed efficient and unique properties toward complexation with fullerenes C60 and C70 in toluene.
A Hybrid Supramolecular Polymeric Hydrogel with Rapid Self‐Healing Property
Authors: Chen Lin , Chen Hui , Yao Xuyang , Ma Xiang , Tian He 
Published: July 2015

AbstractA hybrid supramolecular polymeric hydrogel is conveniently constructed via host–guest interaction of a host cyclodextrin polymer (poly‐CD) with a guest α‐bromonaphthalene polymer (poly‐BrNp) and mixing with 6‐thio‐β‐cyclodextrin (β‐SH‐CD) modified gold nanoparticles (GPCDs) in aqueous solution. According to the dynamic oscillatory data, the hydrogel exhibits markedly enhanced stiffness compared with the GPCD‐free one (both G′ and G“ values are almost twice as high as those of the original GPCD‐free hydrogel) due to the introduction of the inorganic gold nanoparticles. This hybrid supramolecular polymeric hydrogel has a rapid and excellent self‐healing property (only about 1 min, and the G′ and G” of the self‐healed hydrogel almost turned back to their original levels after 1 hour) in air (without adding any solvent or additive).
Partitioning in aqueous two‐phase systems: Analysis of strengths, weaknesses, opportunities and threats
Authors: Soares Ruben R. G. , Azevedo Ana M. , Van Alstine James M. , Aires‐Barros M. Raquel 
Published: July 2015

AbstractFor half a century aqueous two‐phase systems (ATPSs) have been applied for the extraction and purification of biomolecules. In spite of their simplicity, selectivity, and relatively low cost they have not been significantly employed for industrial scale bioprocessing. Recently their ability to be readily scaled and interface easily in single‐use, flexible biomanufacturing has led to industrial re‐evaluation of ATPSs. The purpose of this review is to perform a SWOT analysis that includes a discussion of: (i) strengths of ATPS partitioning as an effective and simple platform for biomolecule purification; (ii) weaknesses of ATPS partitioning in regard to intrinsic problems and possible solutions; (iii) opportunities related to biotechnological challenges that ATPS partitioning may solve; and (iv) threats related to alternative techniques that may compete with ATPS in performance, economic benefits, scale up and reliability. This approach provides insight into the current status of ATPS as a bioprocessing technique and it can be concluded that most of the perceived weakness towards industrial implementation have now been largely overcome, thus paving the way for opportunities in fermentation feed clarification, integration in multi‐stage operations and in single‐step purification processes.
Prediction of reversible IgG1 aggregation occurring in a size exclusion chromatography column is enabled through a model based approach
Authors: Ojala Frida , Sellberg Anton , Hansen Thomas Budde , Hansen Ernst Broberg , Nilsson Bernt 
Published: July 2015

AbstractOne important aspect of antibody separation being studied today is aggregation, as this not only leads to a loss in yield, but aggregates can also be hazardous if injected into the body. The aim of this study was to determine whether the methodology applied in the previous study could be used to predict the aggregation of a different batch of IgG1, and to model the aggregation occurring in a SEC column. Aggregation was found to be reversible. The equilibrium parameter was found to be 272 M‐1 and the reaction kinetic parameter 1.33 × 10‐5 s‐1, both within the 95% confidence interval of the results obtained in the previous work. The effective diffusivities were estimated to be 1.45 × 10‐13 and 1.90 10‐14 m2/s for the monomers and dimers, respectively. Good agreement was found between the new model and the chromatograms obtained in the SEC experiments. The model was also able to predict the decrease of dimers due to the dilution and separation in the SEC column during long retention times.
AVP‐IC50Pred: Multiple machine learning techniques‐based prediction of peptide antiviral activity in terms of half maximal inhibitory concentration (IC50)
Authors: Qureshi Abid , Tandon Himani , Kumar Manoj 
Published: July 2015

ABSTRACTPeptide‐based antiviral therapeutics has gradually paved their way into mainstream drug discovery research. Experimental determination of peptides' antiviral activity as expressed by their IC50 values involves a lot of effort. Therefore, we have developed “AVP‐IC50Pred,” a regression‐based algorithm to predict the antiviral activity in terms of IC50 values (μM). A total of 759 non‐redundant peptides from AVPdb and HIPdb were divided into a training/test set having 683 peptides (T683) and a validation set with 76 independent peptides (V76) for evaluation. We utilized important peptide sequence features like amino‐acid compositions, binary profile of N8‐C8 residues, physicochemical properties and their hybrids. Four different machine learning techniques (MLTs) namely Support vector machine, Random Forest, Instance‐based classifier, and K‐Star were employed. During 10‐fold cross validation, we achieved maximum Pearson correlation coefficients (PCCs) of 0.66, 0.64, 0.56, 0.55, respectively, for the above MLTs using the best combination of feature sets. All the predictive models also performed well on the independent validation dataset and achieved maximum PCCs of 0.74, 0.68, 0.59, 0.57, respectively, on the best combination of feature sets. The AVP‐IC50Pred web server is anticipated to assist the researchers working on antiviral therapeutics by enabling them to computationally screen many compounds and focus experimental validation on the most promising set of peptides, thus reducing cost and time efforts. The server is available at http://crdd.osdd.net/servers/ic50avp. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 753–763, 2015.
5‐aminomethyloxazolidine‐2,4‐dione hybrid α/β‐dipeptide scaffolds as inductors of constrained conformations: Applications to the synthesis of integrin antagonists
Authors: De Marco Rossella , Mazzotti Giacomo , Dattoli Samantha D. , Baiula Monica , Spampinato Santi , Greco Arianna , Gentilucci Luca 
Published: July 2015

ABSTRACTPeptidomimetics represent an attractive starting point for drug discovery programs; in particular, peptidomimetics that result from the incorporation of a heterocycle may take advantage of increased enzymatic stability and higher ability to reproduce the bioactive conformations of the parent peptides, resulting in enhanced therapeutic potential. Herein, we present mimetics of the α4β1 integrin antagonist BIO1211 (MPUPA‐Leu‐Asp‐Val‐Pro‐OH), containing a aminomethyloxazolidine‐2,4‐dione scaffold (Amo). Interestingly, the retro‐sequences PhCOAsp(OH)‐Amo‐APUMP including either (S)‐ or (R)‐configured Amo displayed significant ability to inhibit the adhesion of α4β1 integrin expressing cells, and remarkable stability in mouse serum. Possibly, the conformational bias exerted by the Amo scaffold determined the affinity for the receptors. These peptidomimetics could be of interest for the development of small‐molecule agents effective against inflammatory processes and correlated autoimmune diseases. © 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 636–649, 2015.
The Importance of Perceived Organisational Goals: A Systems Thinking Approach to Understanding Child Safeguarding in the Context of Domestic Abuse
Authors: Caffrey Louise 
Published: July 2015

Research in the late 1990s and early 2000s raised concerns that the safeguarding implications of domestic abuse (DA) were not being sufficiently accounted for in child contact cases in England. Since that time, reforms have been introduced, which sought to emphasise the importance of safety in this context. Despite these developments, there is concern that problematic management of DA cases may have persisted. This article presents findings on the management of DA in supported child contact centres in England. The findings suggest that supported contact services continue to facilitate DA cases, although the service is not designed for this purpose. Using the systems thinking concepts of ‘local rationalities’ and ‘goal conflicts’, the article explores how problematic safeguarding practices made sense to those on the ground. The findings suggest that supported services are inappropriate for cases involving DA concerns, not just because they lack the resources to safely manage these cases, but because their perceived organisational goals can present a conflict for staff and volunteers in safely managing them. Ultimately, the article asserts the potential for perceived organisational goals to impact on practice and thus the importance of considering them in the design, commissioning or use of services. Copyright © 2015 John Wiley & Sons, Ltd.‘Presents findings on the management of DA in supported child contact centres in England’Key Practitioner Messages

Supported child contact centres are inappropriate for cases involving DA concerns but continue to be used to facilitate such cases.
Perceived organisational goals can impact on practice. It is therefore important to consider them in the design, commissioning or use of services.
Systems thinking concepts, including ‘local rationalities’ and ‘goal conflicts’, can provide a useful framework for investigating the root causes of problematic practice.
‘Perceived organisational goals can impact on practice’
Homoserine Lactones, Methyl Oligohydroxybutyrates, and Other Extracellular Metabolites of Macroalgae‐Associated Bacteria of the Roseobacter Clade: Identification and Functions
Authors: Ziesche Lisa , Bruns Hilke , Dogs Marco , Wolter Laura , Mann Florian , Wagner‐Döbler Irene , Brinkhoff Thorsten , Schulz Stefan 
Published: July 2015

AbstractTwenty‐four strains of marine Roseobacter clade bacteria were isolated from macroalgae and investigated for the production of quorum‐sensing autoinducers, N‐acylhomoserine lactones (AHLs). GC/MS analysis of the extracellular metabolites allowed us to evaluate the release of other small molecules as well. Nineteen strains produced AHLs, ranging from 3‐OH‐C10:0‐HSL (homoserine lactone) to (2E,11Z)‐C18:2‐HSL, but no specific phylogenetic or ecological pattern of individual AHL occurrence was observed when cluster analysis was performed. Other identified compounds included indole, tropone, methyl esters of oligomers of 3‐hydroxybutyric acid, and various amides, such as N‐9‐hexadecenoylalanine methyl ester (9‐C16:1‐NAME), a structural analogue of AHLs. Several compounds were tested for their antibacterial and antialgal activity on marine isolates likely to occur in the habitat of the macroalgae. Both AHLs and 9‐C16:1‐NAME showed high antialgal activity against Skeletonema costatum, whereas their antibacterial activity was low.
BET Inhibition Upregulates SIRT1 and Alleviates Inflammatory Responses
Authors: Kokkola Tarja , Suuronen Tiina , Pesonen Maija , Filippakopoulos Panagis , Salminen Antero , Jarho Elina M. , Lahtela‐Kakkonen Maija 
Published: July 2015

AbstractControl of histone acetylation is a part of the epigenetic mechanism that regulates gene expression and chromatin architecture. The members of the bromodomain and extra terminal domain (BET) protein family are a group of epigenetic readers that recognize histone acetylation, whereas histone deacetyl‐ ases such as sirtuin 1 (SIRT1) function as epigenetic erasers. We observed that BET inhibition by the specific inhibitor JQ1 upregulated SIRT1 expression and activated SIRT1. Moreover, we observed that BET inhibition functionally reversed the pro‐inflammatory effect of SIRT1 inhibition in a cellular lung disease model. SIRT1 activation is desirable in many age‐related, metabolic and inflammatory diseases; our results suggest that BET protein inhibition would be beneficial in treatment of those conditions. Most importantly, our findings demonstrate a novel mechanism of SIRT1 activation by inhibition of the BET proteins.
Investigation of Serine‐Proteinase‐Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI‐1)
Authors: Karna Natalia , Łęgowska Anna , Malicki Stanisław , Dębowski Dawid , Golik Przemysław , Gitlin Agata , Grudnik Przemysław , Wladyka Benedykt , Brzozowski Krzysztof , Dubin Grzegorz , Rolka Krzysztof 
Published: July 2015

AbstractSerine‐proteinase‐catalyzed peptide splicing was demonstrated in analogues of the trypsin inhibitor SFTI‐1: both single peptides and two‐peptide chains (C‐ and N‐terminal peptide chains linked by a disulfide bridge). In the second series, peptide splicing with catalytic amount of proteinase was observed only when formation of acyl–enzyme intermediate was preceded by hydrolysis of the substrate Lys–Ser peptide bond. Here we demonstrate that with an equimolar amount of the proteinase, splicing occurs in all the two‐peptide‐chain analogues. This conclusion was supported by high resolution crystal structures of selected analogues in complex with trypsin. We showed that the process followed a direct transpeptidation mechanism. Thus, the acyl–enzyme intermediate was formed and was immediately used for a new peptide bond formation; products associated with the hydrolysis of the acyl–enzyme were not observed. The peptide splicing was sequence‐ not structure‐specific.
Droplet‐Shooting and Size‐Filtration (DSSF) Method for Synthesis of Cell‐Sized Liposomes with Controlled Lipid Compositions
Authors: Morita Masamune , Onoe Hiroaki , Yanagisawa Miho , Ito Hiroaki , Ichikawa Masatoshi , Fujiwara Kei , Saito Hirohide , Takinoue Masahiro 
Published: July 2015

AbstractWe report a centrifugal microfluidic method, droplet‐shooting and size‐filtration (DSSF), for the production of cell‐sized liposomes with controlled lipid compositions. This involves the generation of large and small droplets from the tip of a glass capillary and the selective transfer of small droplets through an oil‐water interface, thus resulting in the generation of cell‐sized liposomes. We demonstrate control of the microdomain formation as well as the formation of asymmetric lipid bilayer liposomes of uniform size by the control of lipid composition. The DSSF method involves simple microfluidics and is easy to use. In addition, only a small volume (0.5–2 μL) of sample solution is required for the formation of hundreds of cell‐sized liposomes. We believe that this method can be applied to generate cell‐sized liposomes for a wide variety of uses, such as the construction of artificial cell‐like systems.