bluuebunny/crossref_metadata_2025_split huggingface dataset:
Recent Progress on the Confinement, Assembly, and Relaxation of Inorganic Functional Fillers in Polymer Matrix during Processing
Authors: Deng Hua , Fu Qiang 
Published: October 2017

AbstractFunctional polymer composites have gained extensive interest due to their wide range of applications. Various functionalities are mainly provided by functional fillers and their networks in polymer matrix. Therefore, morphology control on filler network has important influence on the final functionalities. The confinement, assembly, and relaxation of inorganic functional fillers in polymers are thought as the basic issues related to such control. Processing as the means to achieve the desired shape and properties for materials often involves strong temperature and shear field, among other factors—not to mention the complex interaction between polymer and filler. These processing fields and interactions during processing are reported to have profound influence on the confinement, assembly, and relaxation of inorganic fillers in polymer matrix. Therefore, various functionalities could be significantly affected by processing. This paper is a review of recent developments in this area.
Telechelic Polybutadienes or Polyisoprenes Precursors for Recyclable Elastomeric Networks
Authors: Berto Pierre , Grelier Stéphane , Peruch Frédéric 
Published: October 2017

Abstract(Bis)furan‐telechelic, low‐molar‐mass polybutadienes and polyisoprenes are synthesized by controlled degradation of high molar mass polymers and chain‐end modifications yielding difunctional, trifunctional, or tetrafunctional polymers. Addition of a bismaleimide to the liquid‐modified polymer leads to the formation of a thermoreversible elastomeric network based on the Diels–Alder chemistry for the trifunctional or tetrafunctional polymers, whereas only chain extension occurs for the bifunctional one. Dynamic mechanical analyses or tensile tests are performed on the networks and reveal a similar behavior for polyisoprene and polybutadiene with nevertheless quite different Young modulus or strain at break. The retro Diels–Alder reaction occurs upon heating, allowing the remolding of the used elastomer. The remolded network exhibits the same mechanical properties as the initial network, showing an efficient material recyclability.
Multiobjective navigation of external radiotherapy plans based on clinical criteria
Authors: Lin Kuan‐Min , Ehrgott Matthias 
Published: October 2017

AbstractThis study considers a navigation method for finding the most preferable radiotherapy plan from a discrete set using planner‐defined clinical criteria. The method is based on repeatedly solving an optimization model to identify a plan that best satisfies the aspiration values set by the planner. During navigation, the planner iteratively adjusts the aspiration values to match the preference information learned from previous plans until the most preferable plan is identified. The use of soft constraints to model aspiration values enables navigation amongst a discrete set and allows the planner to freely specify the aspiration values without producing an infeasible model. We demonstrate the use of the model by applying it to a prostate cancer case. This illustrates that improvements in optimization criteria do not necessarily lead to improvements in clinical criteria. Hence, the method obviates the need to simultaneously monitor both optimization and clinical criteria in current navigation systems. Instead, the direct use of clinical criteria for navigation aids the planner to quickly identify the most preferable plan.
Blueberry Metabolites Attenuate Lipotoxicity‐Induced Endothelial Dysfunction
Authors: Bharat Divya , Cavalcanti Rafaela Ramos Mororo , Petersen Chrissa , Begaye Nathan , Cutler Brett Ronald , Costa Marcella Melo Assis , Ramos Renata Kelly Luna Gomes , Ferreira Marina Ramos , Li Youyou , Bharath Leena P. , Toolson Emma , Sebahar Paul , Looper Ryan E. , Jalili Thunder , Rajasekaran Namakkal S. , Jia Zhenquan , Symons J. David , Anandh Babu Pon Velayutham 
Published: October 2017

ScopeLipotoxicity‐induced endothelial dysfunction is an important vascular complication associated with diabetes. Clinical studies support the vascular benefits of blueberry anthocyanins, but the underlying mechanism is unclear. The hypothesis that metabolites of blueberry anthocyanins attenuate lipotoxicity‐induced endothelial dysfunction was tested.Methods and resultsHuman aortic endothelial cells (HAECs) were treated for 6 h with either: (i) the parent anthocyanins (malvidin‐3‐glucoside and cyanidin‐3‐glucoside); or (ii) the blueberry metabolites (hydroxyhippuric acid, hippuric acid, benzoic acid‐4‐sulfate, isovanillic acid‐3‐sulfate, and vanillic acid‐4‐sulfate), at concentrations known to circulate in humans following blueberry consumption. For the last 5 h HAECs were treated with palmitate or vehicle. HAECs treated with palmitate displayed elevated reactive oxygen species generation, increased mRNA expression of NOX4, chemokines, adhesion molecules, and IκBα, exaggerated monocyte binding, and suppressed nitric oxide production. Of note, the damaging effects of palmitate were ameliorated in HAECs treated with blueberry metabolites but not parent anthocyanins. Further, important translational relevance of these results was provided by our observation that palmitate‐induced endothelial dysfunction was lessened in arterial segments that incubated concurrently with blueberry metabolites.ConclusionThe presented findings indicate that the vascular benefits of blueberry anthocyanins are mediated by their metabolites. Blueberries might complement existing therapies to lessen vascular complications.
Chromosomal and subchromosomal anomalies associated to small for gestational age fetuses with no additional structural anomalies
Authors: Peng Ruan , Zhou Yi , Xie Hong‐Ning , Lin Mei‐Fang , Zheng Ju 
Published: October 2017

What's already known about this topic?

Published studies have shown a 6.8 to 11.4% incremental yield of chromosomal abnormalities over karyotyping in SGA cases combined with structural anomalies or nonstructural anomalies.
What does this study add?

Our study showed that chromosomal and subchromosomal anomalies occurred in 7.8% (10/128) SGA fetuses with no additional structural anomalies, among which 9 cases could be identified with CMA. Chromosomal and subchromosomal anomalies occurred significantly higher in cases with oligohydraminos and in early onset cases.
Modelling cumulative exposure for inference about drug effects in observational studies
Authors: Farran Bassam , McGurnaghan Stuart , Looker Helen C. , Livingstone Shona , Lahnsteiner Eva , Colhoun Helen M. , McKeigue Paul M. 
Published: October 2017

AbstractPurposeTo demonstrate a modelling approach that controls for time‐invariant allocation bias in estimation of associations of outcome with drug exposure.MethodsWe show that in a model that includes terms for both ever‐exposure versus never‐exposure and cumulative exposure, the parameter for ever‐exposure represents the effect of time‐invariant allocation bias, and the parameter for cumulative exposure represents the effect of the drug after adjustment for this unmeasured confounding. This assumes no stepwise effect of the drug on the event rate, no reverse causation, and no unmeasured time‐varying confounders. We demonstrated this by modelling the effect of statins on cardiovascular disease, for which the true effect has been well characterised in randomised trials, using time‐updated Cox regression models in a national cohort of Type 2 diabetes patients.ResultsThe crude hazard ratio associated with ever‐use of statins was 1.13 in a standard cohort analysis comparing exposed with unexposed person‐time intervals. When ever‐never use and cumulative exposure are modelled jointly, the effect of statins can be estimated from the cumulative exposure parameter (hazard ratio 0.97 per year of exposure, 95% CI 0.97 to 0.98). The ever‐exposed term (hazard ratio 1.20, 1.16 to 1.23) in this model can be interpreted as estimating the allocation bias.ConclusionsWhere stepwise effects on the risk of adverse events are unlikely, as for instance for effects on risk of cancer, joint modelling of ever‐never and cumulative exposure can be used to study the effects of multiple drugs and to distinguish causal effects from confounding by allocation.
An efficient, heterogeneous, reusable atom transfer radical polymerization catalyst
Authors: Taskin Omer Suat , Kiskan Baris , Yagci Yusuf 
Published: October 2017

AbstractMelamine based porous polymer (MPP) was prepared as a template solid to incorporate Cu(I) cations into the framework through chelating with nitrogen groups of the melamine. The copper integrated porous material (Cu(I)@MPP) was used as a heterogeneous catalyst and displayed high activity in copper catalyzed atom transfer radical polymerization of methyl methacrylate. The characterization of the Cu(I)@MPP was performed using nitrogen adsorption experiments and wide‐angle X‐ray and Fourier transform infrared spectroscopies. The atomic absorption spectroscopy measurements confirmed that the catalyst is practically non‐leaching and Cu(I) was found to be below 20 ppb after each atom transfer radical polymerization. Moreover, the catalyst showed reusability without any significant change in its activity. © 2017 Society of Chemical Industry
Medium band gap conjugated polymers from thienoacene derivatives and pentacyclic aromatic lactam as promising alternatives of poly(3‐hexylthiophene) in photovoltaic application
Authors: Gao Peili , Tong Junfeng , Guo Pengzhi , Li Jianfeng , Wang Ningning , Li Cheng , Ma Xuying , Zhang Peng , Wang Chenglong , Xia Yangjun 
Published: October 2017

ABSTRACTTwo alternating medium band gap conjugated polymers (PBDT‐TPTI and PDTBDT‐TPTI) derived from 4,8‐bis(4,5‐dioctylthien‐2‐yl)benzo[1,2‐b:4,5‐b′]dithiophene (BDT‐T) or 5,10‐bis(4,5‐didecylthien‐2‐yl)dithieno[2,3‐d:2′,3′‐d′]benzo[1,2‐b:4,5‐b′]dithiophene (DTBDT‐T) with pentacyclic aromatic lactam of N,N‐didodecylthieno[2′,3′:5,6]pyrido[3,4‐g]thieno[3,2‐c]‐iso‐quinoline‐5,11‐dione (TPTI), are synthesized and characterized. The comparative investigation of the photostabilities of the copolymers revealed that the PDTBDT‐TPTI film exhibited the comparable photostability in relative to P3HT. Meanwhile, the inverted photovoltaic cells (i‐PVCs) from the blend films of PBDT‐TPTI and/or PDTBDT‐TPTI with PC71BM, in which poly[(9,9‐bis(3′‐(N,N‐dimethylamino)propyl)‐2,7‐fluorene)‐alt‐2,7‐(9,9‐dioctylfluorene)] were used as cathode modifying interlayer, presented higher power conversion efficiencies (PCEs) of 5.98% and 6.05% with photocurrent response ranging from 300 nm to 650 nm in contrast with the PCEs of 4.48% for the optimal inverted PVCs from P3HT/PC71BM under AM 1.5 G 100 mW/cm2. The PCEs of the i‐PVCs from PBDT‐TPTI and PDTBDT‐TPTI were improved to 7.58% and 6.91% in contrast to that of 0.02% for the P3HT‐based i‐PVCs, and the photocurrent responses of the devices were extended to 300–792 nm, when the ITIC was used as electron acceptor materials. The results indicate that the PBDT‐TPTI and PDTBDT‐TPTI can be used as the promising alternatives of notable P3HT in the photovoltaic application. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018, 56, 85–95
Structural transformation from shish‐kebab crystals to micro‐fibrils through hot stretching process of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution
Authors: An Minfang , Lv You , Yao Guibin , Zhang Li , Wang Zongbao 
Published: October 2017

ABSTRACTStructural evolution of gel‐spun ultra‐high molecular weight polyethylene fibers with high concentration solution via hot stretching process was investigated by in situ small‐angle X‐ray scattering, in situ wide‐angle X‐ray diffraction measurements, scanning electron microscopy, and differential scanning calorimetry. With the increase of stretching strain, the long period continuously increases at relative lower stretching temperature, while it first increases and then decreases rapidly at relative higher stretching temperature. The kebab thickness almost keeps constant during the whole hot‐stretching process and the kebab diameter continually decreases for all stretching temperatures. Moreover, the length of shish decreases slightly and the shish quantity increases although there is almost no change in the diameter of shish crystals during the hot stretching process. The degree of crystal orientation at different temperatures is as high as above 0.9 during the whole stretching process. These results indicate that the shish‐kebab crystals in ultra‐high molecular weight polyethylene fibers can transform continuously into the micro‐fibril structure composed mostly of shish crystals through the hot stretching process. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 225–238
Disruptions in the crystallinity of poly(lauryl methacrylate) due to adsorption on silica
Authors: Arua Ugo N. , Blum Frank D. 
Published: October 2017

ABSTRACTThe effects of adsorption of poly(lauryl methacrylate) (PLMA), a side‐chain crystalline polymer, on silica were investigated. Fourier transform infrared spectroscopy and differential scanning calorimetry (DSC) measurements were made on both bulk and adsorbed PLMA. The reversible heat flow rates were observed as a function of temperature and the degree of crystallinity of the samples determined based on the broad melting transitions of the side chains in the surface samples. It was found that adsorption caused a disruption of the side‐chain crystallinity primarily in the tightly bound layer of the polymer, but did not significantly affect its glass transition temperature. A change in the packing of the hydrophobic side chains, as a result of adsorption, was also observed for the tightly adsorbed polymer. These results indicated that PLMA side chains in proximity to the silica surface have different properties from those in bulk PLMA. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2018, 56, 89–96
Social constraints and psychological well‐being after prostate cancer: A follow‐up at 12 and 24 months after surgery
Authors: Stinesen Kollberg Karin , Thorsteinsdottir Thordis , Wilderäng Ulrica , Hugosson Jonas , Wiklund Peter , Bjartell Anders , Carlsson Stefan , Stranne Johan , Haglind Eva , Steineck Gunnar 
Published: October 2017

AbstractObjectiveStudies indicate that social constraints (barriers to emotional expression) may be a risk factor for psychological morbidity. We aimed to investigate the association between prostate cancer–related social constraints and psychological well‐being following prostate cancer surgery.MethodsIn a group of 3478 partnered patients, participating in the Laparoscopic Prostatectomy Robot Open trial, a prospective multicenter comparative study of robot‐assisted laparoscopic and retropubic radical prostatectomy for prostate cancer, we used log‐binomial regression analysis to investigate the links between prostate cancer–related social constraints at 3 months after surgery and psychological well‐being at 12 and 24 months.ResultsA total of 1086 and 1093 men reported low well‐being at 12 and 24 months, respectively. Prostate cancer‐related social constraints by partner predicted low psychological well‐being at 12 months (adjusted RR: 1.4; 95% CI, 1.1‐1.9) and by others (adjusted RR: 1.9; 95% CI, 1.1‐3.5). Intrusive thoughts mediated the association.ConclusionsNegative responses from the social environment, especially from partner to talking about the prostate cancer experience affected patients' psychological well‐being 2 years after radical prostatectomy. Results emphasize the importance of helping patients mobilize psychosocial resources within their social network, especially among those with a lack of quality psychosocial support.
Site‐directed fluorescence labeling of intrinsically disordered region of human transcription factor YY1: The inhibitory effect of zinc ions
Authors: Górka Adam Kazimierz , Górecki Andrzej , Dziedzicka‐Wasylewska Marta 
Published: October 2017

AbstractSite‐specific labeling of proteins with fluorescent dyes allows the study of protein structure and function using a wide variety of fluorescent techniques. However, specific labeling is not trivial in the case of proteins containing multiple cysteine residues. An example of such a protein is transcription factor Yin Yang 1, which comprises eight cysteine residues in four C2H2 type zinc fingers in the C‐terminal region. Kinetic measurements of the labeling process allowed us to develop preparative labeling of three cysteine residues differently introduced to the N‐terminal, disordered fragment of the protein. The protocol developed in the present study allows to prepare the protein with high recovery yield and high selectivity of the labeling. This was confirmed using proteolytic digestion and spectroscopic approach. The labeling process was significantly affected by the presence of zinc ions and was dependent on the localization of the engineered cysteine residue. This is the first known example of the use of cysteine metal protection and labeling (CyMPL) technology for the labeling of protein regions with no stable secondary structures.
Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity
Authors: Shi Danfeng , Bai Qifeng , Zhou Shuangyan , Liu Xuewei , Liu Huanxiang , Yao Xiaojun 
Published: October 2017

AbstractAs co‐chaperones of the 90‐kDa heat shock protein(HSP90), FK506 binding protein 51 (FKBP51) and FK506 binding protein 52 (FKBP52) modulate the maturation of steroid hormone receptor through their specific FK1 domains (FKBP12‐like domain 1). The inhibitors targeting FK1 domains are potential therapies for endocrine‐related physiological disorders. However, the structural conservation of the FK1 domains between FKBP51 and FKBP52 make it difficult to obtain satisfactory selectivity in FK506‐based drug design. Fortunately, a series of iFit ligands synthesized by Hausch et al exhibited excellent selectivity for FKBP51, providing new opportunity for design selective inhibitors. We performed molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis to reveal selective mechanism for the inhibitor iFit4 binding with FKBP51 and FKBP52. The conformational stability evaluation of the “Phe67‐in” and “Phe67‐out” states implies that FKBP51 and FKBP52 have different preferences for “Phe67‐in” and “Phe67‐out” states, which we suggest as the determinant factor for the selectivity for FKBP51. The binding free energy calculations demonstrate that nonpolar interaction is favorable for the inhibitors binding, while the polar interaction and entropy contribution are adverse for the inhibitors binding. According to the results from binding free energy decomposition, the electrostatic difference of residue 85 causes the most significant thermodynamics effects on the binding of iFit4 to FKBP51 and FKBP52. Furthermore, the importance of substructure units on iFit4 were further evaluated by unbinding pathway analysis and residue‐residue contact analysis between iFit4 and the proteins. The results will provide new clues for the design of selective inhibitors for FKBP51.
Novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety: design, synthesis, antibacterial and nematocidal activities
Authors: Li Pei , Tian Pingyi , Chen Yongzhong , Song Xianpeng , Xue Wei , Jin Linhong , Hu Deyu , Yang Song , Song Baoan 
Published: October 2017

AbstractBACKGROUNDThe literature shows that bisthioether and 1,3,4‐oxadiazole derivatives exhibit a wide variety of biological activities. In this study, a series of novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety were synthesized and their antibacterial and nematocidal activities investigated.RESULTSAmong the title compounds evaluated, compound 4f demonstrated the best antibacterial activities against rice bacterial leaf blight, rice bacterial leaf streak and citrus canker caused by Xanthomonas oryzae pv. oryzae (Xoo), Xanthomonas oryzae pv. oryzicola (Xoc) and Xanthomonas axonopodis pv. citri (Xac), with EC50 values of 4.82, 11.15 and 16.57 µg mL–1, respectively, which were even better than those of thiodiazole copper and bismerthiazol. Meanwhile, compound 4f had better in vitro nematocidal activity against Caenorhabditis elegans at 48 h, with an LC50 value of 2.89 µg mL–1, which was superior to those of ethoprophos and fosthiazate. In addition, greenhouse trials indicated that compound 4f was effective in reducing rice bacterial leaf blight relative to thiodiazole copper and bismerthiazol.CONCLUSIONA series of novel bisthioether derivatives containing a 1,3,4‐oxadiazole moiety were synthesized and bioassay results showed that compound 4f exhibited the best antibacterial and nematocidal activities. © 2017 Society of Chemical Industry
Influence of lipophilicity in O‐acyl and O‐alkyl derivatives of juglone and lawsone: a structure–activity relationship study in the search for natural herbicide models
Authors: Durán Alexandra G , Chinchilla Nuria , Molinillo José MG , Macías Francisco A 
Published: October 2017

AbstractBACKGROUNDNaphthoquinones are known for their broad range of biological activities. Given the increasing demands of consumers in relation to food quality and growing concerns about the impact of synthetic herbicides, it is necessary to search for new agrochemicals. Natural products and allelopathy provide new alternatives for the development of pesticides with lower toxicity and greater environmental compatibility.RESULTSA structure–activity relationship to evaluate the effect of bioavailability was performed. A total of 44 O‐acyl and O‐alkyl derivatives of juglone and lawsone with different linear chain lengths were prepared. These compounds were tested on etiolated wheat coleoptiles, standard target species (STS) and four weeds, Echinochloa crus‐galli L., Lolium rigidum Gaud., Lolium perenne L. and Avena fatua L. The results showed a strong influence of lipophilicity and, in most cases, the data fitted a logP‐dependent quadratic mathematical model.CONCLUSIONThe effects produced were mostly stunting and necrosis caused by growth inhibition. The potential structure and activity behaviour is described. © 2017 Society of Chemical Industry
Polarizability of negatively charged helium‐like ions interacting with Coulomb and screened Coulomb potentials
Authors: Kar Sabyasachi , Wang Yu‐Shu , Wang Yang , Ho Yew Kam 
Published: October 2017

AbstractThe dipole and quadrupole polarizabilities (both static and dynamic) of negatively charged helium‐like ions are investigated. The mass dependence of the polarizability is studied by changing the mass of the positively charged particle from one unit of electron mass to infinitely heavy. The calculations are carried out in the framework of the pseudostate summation method using exponential correlated wave functions having pseudorandomly generated nonlinear variational parameters. The dipole and quadrupole polarizabilities in terms of frequency and nuclear mass are reported for the first time. The effect of screened Coulomb potentials on the polarizabilities of D–, T–, 1H–,Pi–, Mu–, and Ps– are also presented.