bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flexible, dicationic imidazolium salts for in situ application in palladium‐catalysed Mizoroki–Heck coupling of acrylates under aerobic conditions
Authors: Milton Marilyn Daisy , Garg Parul 
Published: June 2016

The synthesis, characterization and in situ catalytic performance of new unsymmetric N,N′‐disubstituted imidazolium‐based dicationic salts in Mizoroki–Heck coupling of acrylates with aryl bromides under aerobic conditions are described. A series of flexible dicationic salts with varying steric and electronic properties were synthesized in good to excellent yields. All the salts were well characterized using spectroscopic techniques. X‐ray diffraction analysis of two salts with the same dicationic backbone and different counter anions shows that the ligand adopts two different conformations which are influenced by the nature of the anion. Thus, the ligand is capable of changing its conformation according to the change in environment due to its flexible nature. All the synthesized imidazolium salts were found to be active in in situ palladium‐catalysed Mizoroki–Heck coupling under aerobic conditions. Amongst the salts, the hydroxyl‐functionalized imidazolium salt, incorporating the features of both bidentate chelating O,O ligand and carbene, shows the maximum catalytic activity. A variety of aryl and heteroaryl methyl and ethyl cinnamates were synthesized using these imidazolium salts as preligands. In addition, NMR studies confirm in situ generation of normal N‐heterocyclic carbenes from the C‐2 position of imidazol‐2‐ylidene ring. The mercury poisoning test was also performed to ascertain the nature of catalytically active palladium species. Aerobic conditions, low catalytic loading (0.5 mol%), shorter reaction times, broad functional group tolerance and good to excellent isolated yields are some of the significant features of the novel catalytic systems described here. Copyright © 2016 John Wiley & Sons, Ltd.
Facile synthesis of alkynyl‐, aryl‐ and ferrocenyl‐substituted pyrazoles via Sonogashira and Suzuki–Miyaura approaches
Authors: Karabiyikoglu Sedef , Zora Metin 
Published: June 2016

A concise and efficient synthesis of densely substituted novel pyrazoles with alkynyl, aryl and ferrocenyl functionalities is reported, providing a platform for biological studies. The general strategy involves Sonogashira and Suzuki–Miyaura cross‐coupling reactions of easily obtainable 5‐ferrocenyl/phenyl‐4‐iodo‐1‐phenylpyrazoles with terminal alkynes and boronic acids, respectively. The starting 4‐iodopyrazoles were synthesized by electrophilic cyclization of α,β‐alkynic hydrazones with molecular iodine. Sonogashira reactions have been achieved by employing 5 mol% PdCl2(PPh3)2, 5 mol% CuI, excess Et3N and 1.2 equiv. of terminal alkyne, relative to 4‐iodopyrazole, in tetrahydrofuran at 65 °C, while Suzuki–Miyaura reactions have been accomplished using 5 mol% PdCl2(PPh3)2 and 1.4 equiv. of both boronic acid/ester and KHCO3, with respect to 4‐iodopyrazole, in 4:1 dimethylformamide–H2O solution at 110 °C. Both Sonogashira and Suzuki–Miyaura coupling reactions have proven effective for the synthesis of alkynyl‐, aryl‐ and ferrocenyl‐substituted pyrazoles and demonstrated good tolerance to a diverse range of substituents, including electron‐donating and electron‐withdrawing groups. These coupling approaches could allow for the rapid construction of a library of functionalized pyrazoles of pharmacological interest. Copyright © 2016 John Wiley & Sons, Ltd.
A network enhancement model with integrated lane reorganization and traffic control strategies
Authors: Zhao Jing , Liu Yue , Li Peng 
Published: June 2016

SummaryLane reorganization strategies such as lane reversal, one‐way street, turning restriction, and cross elimination have demonstrated their effectiveness in enhancing transportation network capacity. However, how to select the most appropriate combination of those strategies in a network remains challenging to transportation professionals considering the complex interactions among those strategies and their impacts on conventional traffic control components. This article contributes to developing a mathematical model for a traffic equilibrium network, in which optimization of lane reorganization and traffic control strategies are integrated in a unified framework. The model features a bi‐level structure with the upper‐level model describing the decision of the transportation authorities for maximizing the network capacity. A variational inequality (VI) formulation of the user equilibrium (UE) behavior in choosing routes in response to various strategies is developed in the lower level. A genetic algorithm (GA) based heuristic is used to yield meta‐optimal solutions to the model. Results from extensive numerical analyses reveal the promising property of the proposed model in enhancing network capacity and reducing congestion. Copyright © 2016 John Wiley & Sons, Ltd.
Ovarian Stimulators, Intrauterine Insemination, and Assisted Reproductive Technologies Use and the Risk of Major Congenital Malformations—The AtRISK Study
Authors: Chaabane Sonia , Sheehy Odile , Monnier Patricia , Bissonnette François , Trasler Jacquetta M. , Fraser William , Bérard Anick 
Published: June 2016

OBJECTIVETo quantify the risk of major congenital malformations (MCMs) associated with the use of ovarian stimulators alone, intrauterine insemination (IUI), and assisted reproductive technologies (ARTs).METHODSWe conducted a case–control analysis using a birth cohort, built with the linkage of data obtained by a self‐administered questionnaire, medical, pharmaceutic, and birth databases. Cases were pregnancies with at least one live birth with an MCM. Controls were pregnancies that did not result in major or minor congenital malformations. Multiple logistic regression models were used to calculate the odds ratios (ORs) and confidence intervals (CIs).RESULTSAmong the 5021 pregnancies identified, 825 were cases of MCM and 4196 were controls. Compared with spontaneous conception, the use of ART increased the risk of major urogenital malformations (adjusted OR, 3.11; 95% CI, 1.33–7.27). The use of IUI was associated with an increased risk of major musculoskeletal malformations (adjusted OR, 2.02; 95% CI, 1.10–3.71). Among the 471 women who used fertility treatments for conception, the use of ART was associated with an increased risk of any MCM (adjusted OR, 1.66; 95% CI, 1.00–2.79) and urogenital malformations (adjusted OR, 7.18; 95% CI, 1.59–32.53) when compared with ovarian stimulators used alone.CONCLUSIONSThe use of ART and IUI was associated with an increased risk of major musculoskeletal and urogenital malformations. ART was associated with a higher risk of MCM compared to ovarian stimulators used alone. Even the adjustment, a contribution of the underlying subfertility problems cannot completely ruled out given the differences in the severity of subfertility
Solving the student grouping problem in e‐learning systems using swarm intelligence metaheuristics
Authors: Alhunitah Hamad , Menai Mohamed El Bachir 
Published: June 2016

ABSTRACTThe student grouping problem (SGP) is NP‐hard; however, obtaining approximate solutions is essential to collaborative work in e‐learning. This paper explores swarm intelligence metaheuristics including particle swarm optimization (PSO), ant colony system (ACS), and artificial bee colony (ABC) to solve the student grouping problem and create heterogeneous groups. © 2016 Wiley Periodicals, Inc. Comput Appl Eng Educ 24:831–842, 2016; View this article online at wileyonlinelibrary.com/journal/cae; DOI 10.1002/cae.21752
Higher preoperative serum levels of PD‐L1 and B7‐H4 are associated with invasive and metastatic potential and predictable for poor response to VEGF‐targeted therapy and unfavorable prognosis of renal cell carcinoma
Authors: Fukuda Takehiko , Kamai Takao , Masuda Akinori , Nukui Akinori , Abe Hideyuki , Arai Kyoko , Yoshida Ken‐Ichiro 
Published: June 2016

AbstractRenal cell carcinoma (RCC) is an immunogenic and proangiogenic cancer. Although antivascular endothelial growth factor (VEGF) therapies achieve impressive responses in some patients, many tumors eventually develop resistance to such therapy. The B7 family molecules such as CTLA‐4, PD‐1, and PD‐L1 are pivotal players in immune checkpoints that positively or negatively regulate various immune responses. Recently, immunotherapy based on blocking immune checkpoints with anti‐CTLA4, anti‐PD‐1, or anti‐PD‐L1 antibodies has been proposed as a potential new approach to the treatment of metastatic RCC. Higher expression of PD‐L1 and B7‐H4 in the tumors is associated with a poor prognosis in RCCs, however, the clinical impact of serum levels of B7 family molecules has not been elucidated in patients with metastatic RCCs receiving VEGF‐targeted agents. We assessed the preoperative serum levels of B7 family molecules, including CD80, CD86, PD‐1, PD‐L1, B7‐H3, B7‐H4, and CTLA‐4, and CD28 in RCC patients, and determined their relations with various clinicopathological characteristics. Elevated preoperative serum levels of PD‐L1 and B7‐H4 were correlated with less differentiated tumors, higher invasive and metastatic potential, a worse response to anti‐VEGF therapy, and shorter overall survival. These findings suggested that investigating preoperative serum levels of PD‐L1 and B7‐H4 might not only be useful to assess the biological aggressiveness of RCCs, but also to predict the efficacy of anti‐VEGF therapy and the eventual prognosis, indicating the future design of clinical trials of therapies targeting immune checkpoint in advanced RCCs.
MT3‐MMP down‐regulation promotes tumorigenesis and correlates to poor prognosis in esophageal squamous cell carcinoma
Authors: Xue Zengfu , Wu Xiumin , Chen Xiong , Luo Qi 
Published: June 2016

AbstractThe membrane‐type matrix metalloproteinases (MT‐MMPs) play an important role in degrading the extracellular matrix (ECM) and facilitating protease‐dependent tumor progression and invasion. Here, we report that unlike MT1‐MMP, MT3‐MMP was down‐regulated in esophageal squamous cell carcinoma (ESCC) as detected by real‐time PCR (qPCR), Western blot analysis, and immunohistochemistry (IHC). Down‐regulation of MT3‐MMP was observed at protein level in 66.3% of ESCC specimens (by IHC, n = 86) for routine pathologic diagnosis, as well as at mRNA level in 63.3% of surgically resected ESCC tumors paired with surrounding nontumor tissues (by qPCR, n = 30). Notably, MT3‐MMP down‐regulation significantly correlated with lymph node metastasis and poor overall survival of patients with ESCC (median 5‐year survival = 50.69 vs. 30.77 months for patients with MT3‐MMP‐negative and ‐positive ESCC, respectively). Mechanistically, MT3‐MMP negatively regulated proliferation, colony formation, and migration of ESCC cells, in association with cell cycle arrest at G1, due to up‐regulation of p21Cip1 and p27Kip1. Together, as a tumor suppressor in ESCC, MT3‐MMP down‐regulation represents an unfavorable factor for prognosis of patients with ESCC.
Copper(I)–Phosphinite Complexes in Click Cycloadditions: Three‐Component Reactions and Preparation of 5‐Iodotriazoles
Authors: Pérez Juana M. , Crosbie Peter , Lal Steven , Díez‐González Silvia 
Published: June 2016

AbstractThe remarkable activity displayed by copper(I)–phosphinite complexes of general formula [CuBr(L)] in two challenging cycloadditions is reported: a) the one‐pot azidonation/cycloaddition of boronic acids, NaN3, and terminal alkynes; b) the cycloaddition of azides and iodoalkynes. These air‐stable catalysts led to very good results in both cases and the expected triazoles could be isolated in pure form under ‘Click‐suitable’ conditions.
Metal Bromide Controlled Interfacial Aromatization Reaction for Shape‐Selective Synthesis of Palladium Nanostructures with Efficient Catalytic Performances
Authors: Dutta Soumen , Ray Chaiti , Roy Anindita , Sahoo Ramkrishna , Pal Tarasankar 
Published: June 2016

AbstractHerein, the effect of diverse metal bromides for the shape evolution of palladium nanostructures (Pd NS) has been demonstrated. Aromaticity‐driven reduction of bromopalladate(II) is optimized to reproducibly obtain different Pd NS at the water/organic layer interface. In this soft interfacial strategy, a redox potential driven reaction has been performed, forming the thermodynamically more stable (>104‐fold) PdBr42− precursor from PdCl42− by adding extra metal bromides. In the process, the reductant, Hantzsch dihydropyridine ester (DHPE), is aromatized. Interestingly, alkali metal bromides devoid of coordination propensity exclusively evolve Pd nanowires (Pd NWs), whereas in the case of transition metal bromides the metal ions engage the ‘N’ donor of DHPE at the interface, making the redox reaction sluggish. Hence, controlled Pd nanoparticles growth is observed, which evolves Pd broccolis (Pd NBRs) and Pd nanorods (Pd NRs) at the interface in the presence of NiBr2 and CuBr2, respectively, in the aqueous solution. Thus, the effect of diverse metal bromides in the reaction mixture for tailor‐made growth of the various Pd NS is reported. Among the as‐synthesized materials, the Pd NWs stand to be superior catalysts and their efficiency is almost 6 and 2.5 times higher than commercial 20 % Pd/C in the electrooxidation of ethanol and CrVI reduction reaction by formic acid, respectively.
Knowledge of, attitudes toward, and use of low‐dose computed tomography for lung cancer screening among family physicians
Authors: Ersek Jennifer L. , Eberth Jan M. , McDonnell Karen Kane , Strayer Scott M. , Sercy Erica , Cartmell Kathleen B. , Friedman Daniela B. 
Published: June 2016

BACKGROUNDThe results of the National Lung Screening Trial showed a 20% reduction in lung cancer mortality and a 6.7% reduction in all‐cause mortality when high‐risk patients were screened with low‐dose computed tomography (LDCT) versus chest x‐ray (CXR). The US Preventive Services Task Force has issued a grade B recommendation for LDCT screening, and the Centers for Medicare and Medicaid Services and private insurers now cover the screening cost under certain conditions. The purpose of this study was to assess the knowledge of, attitudes toward, and use of LDCT screening for lung cancer among family physicians.METHODSA 32‐item questionnaire was distributed to members of the South Carolina Academy of Family Physicians in 2015. Descriptive statistics were calculated.RESULTSThere were 101 respondents, and most had incorrect knowledge about which organizations recommended screening. Many physicians continued to recommend CXR for lung cancer screening. Most felt that LDCT screening increased the odds of detecting disease at earlier stages (98%) and that the benefits outweighed the harms (75%). Concerns included unnecessary procedures (88%), stress/anxiety (52%), and radiation exposure (50%). Most physicians discussed the risks/benefits of screening with their patients in some capacity (76%); however, more than 50% reported making 1 or no screening recommendations in the past year.CONCLUSIONSMost family physicians report discussing LDCT with patients at high risk for lung cancer; however, referrals remain low. There are gaps in physician knowledge about screening guidelines and reimbursement, and this indicates a need for further educational outreach. The development of decision aids may facilitate shared decision‐making discussions about screening, and targeted interventions may improve knowledge gaps. Cancer 2016;122:2324–2331. © 2016 American Cancer Society.
Systematic Measures of Biological Networks II: Degeneracy, Complexity, and Robustness
Authors: Li Yao , Yi Yingfei 
Published: June 2016

AbstractThis paper is part II of a two‐part series devoted to the study of systematic measures in a complex bionetwork modeled by a system of ordinary differential equations. In this part, we quantify several systematic measures of a biological network including degeneracy, complexity, and robustness. We will apply the theory of stochastic differential equations to define degeneracy and complexity for a bionetwork. Robustness of the network will be defined according to the strength of attractions to the global attractor. Based on the study of stationary probability measures and entropy made in part I of this series, we will investigate some fundamental properties of these systematic measures, in particular the connections between degeneracy, complexity, and robustness.© 2016 Wiley Periodicals, Inc.
Thyroid Hormone, Cancer, and Apoptosis
Authors: Lin Hung‐Yun , Chin Yu‐Tan , Yang Yu‐Chen S. H. , Lai Hsuan‐Yu , Whang‐Peng Jacqueline , Liu Leroy F. , Tang Heng‐Yuan , Davis Paul J. 
Published: June 2016

ABSTRACTThyroid hormones play important roles in regulating normal metabolism, development, and growth. They also stimulate cancer cell proliferation. Their metabolic and developmental effects and growth effects in normal tissues are mediated primarily by nuclear hormone receptors. A cell surface receptor for the hormone on integrin αvβ3 is the initiation site for effects on tumor cells. Clinical hypothyroidism may retard cancer growth, and hyperthyroidism was recently linked to the prevalence of certain cancers. Local levels of thyroid hormones are controlled through activation and deactivation of iodothyronine deiodinases in different organs. The relative activities of different deiodinases that exist in tissues or organs also affect the progression and development of specific types of cancers. In this review, the effects of thyroid hormone on signaling pathways in breast, brain, liver, thyroid, and colon cancers are discussed. The importance of nuclear thyroid hormone receptor isoforms and of the hormone receptor on the extracellular domain of integrin αvβ3 as potential cancer risk factors and therapeutic targets are addressed. We analyze the intracellular signaling pathways activated by thyroid hormones in cancer progression in hyperthyroidism or at physiological concentrations in the euthyroid state. Determining how to utilize the deaminated thyroid hormone analog (tetrac), and its nanoparticulate derivative to reduce risks of cancer progression, enhance therapeutic outcomes, and prevent cancer recurrence is also deliberated. © 2016 American Physiological Society.Compr Physiol6:1221‐1237, 2016.
Role of Mitochondria in Cerebral Vascular Function: Energy Production, Cellular Protection, and Regulation of Vascular Tone
Authors: Busija David W. , Rutkai Ibolya , Dutta Somhrita , Katakam Prasad V. 
Published: June 2016

ABSTRACTMitochondria not only produce energy in the form of ATP to support the activities of cells comprising the neurovascular unit, but mitochondrial events, such as depolarization and/or ROS release, also initiate signaling events which protect the endothelium and neurons against lethal stresses via pre‐/postconditioning as well as promote changes in cerebral vascular tone. Mitochondrial depolarization in vascular smooth muscle (VSM), via pharmacological activation of the ATP‐dependent potassium channels on the inner mitochondrial membrane (mitoKATPchannels), leads to vasorelaxation through generation of calcium sparks by the sarcoplasmic reticulum and subsequent downstream signaling mechanisms. Increased release of ROS by mitochondria has similar effects. Relaxation of VSM can also be indirectly achieved via actions of nitric oxide (NO) and other vasoactive agents produced by endothelium, perivascular and parenchymal nerves, and astroglia following mitochondrial activation. Additionally, NO production following mitochondrial activation is involved in neuronal preconditioning. Cerebral arteries from female rats have greater mitochondrial mass and respiration and enhanced cerebral arterial dilation to mitochondrial activators. Preexisting chronic conditions such as insulin resistance and/or diabetes impair mitoKATPchannel relaxation of cerebral arteries and preconditioning. Surprisingly, mitoKATPchannel function after transient ischemia appears to be retained in the endothelium of large cerebral arteries despite generalized cerebral vascular dysfunction. Thus, mitochondrial mechanisms may represent the elusive signaling link between metabolic rate and blood flow as well as mediators of vascular change according to physiological status. Mitochondrial mechanisms are an important, but underutilized target for improving vascular function and decreasing brain injury in stroke patients. © 2016 American Physiological Society.Compr Physiol6:1529‐1548, 2016.
Vanadium Electrolyte Studies for the Vanadium Redox Battery—A Review
Authors: Skyllas‐Kazacos Maria , Cao Liuyue , Kazacos Michael , Kausar Nadeem , Mousa Asem 
Published: June 2016

AbstractThe electrolyte is one of the most important components of the vanadium redox flow battery and its properties will affect cell performance and behavior in addition to the overall battery cost. Vanadium exists in several oxidation states with significantly different half‐cell potentials that can produce practical cell voltages. It is thus possible to use the same element in both half‐cells and thereby eliminate problems of cross‐contamination inherent in all other flow battery chemistries. Electrolyte properties vary with supporting electrolyte composition, state‐of‐charge, and temperature and this will impact on the characteristics, behavior, and performance of the vanadium battery in practical applications. This Review provides a broad overview of the physical properties and characteristics of the vanadium battery electrolyte under different conditions, together with a description of some of the processing methods that have been developed to produce vanadium electrolytes for vanadium redox flow battery applications.
Gap junctions in C. elegans: Their roles in behavior and development
Authors: Hall David H. 
Published: June 2016

ABSTRACTThe nematode Caenorhabditis elegans utilizes gap junctions in different fashions in virtually all of its cells. This model animal has a surprisingly large number of innexin genes within its genome, and many nematode cell types can express multiple innexins at once, leading to the formation of diverse junction types and enough redundancy to limit the effect of single gene knockdowns on animal development or behavioral phenotypes. Here, we review the general properties of these junctions, their expression patterns, and their known roles in tissue development and in the animal's connectome. © 2016 Wiley Periodicals, Inc. Develop Neurobiol 77: 587–596, 2017