bluuebunny/crossref_metadata_2025_split huggingface dataset:
The dynamics of a healthy and infected red blood cell in flow through constricted channels: A DPD simulation
Authors: Hoque Sazid Zamal , Anand D. Vijay , Patnaik B. S. V. 
Published: May 2018

AbstractUnderstanding the dynamics of red blood cell (RBC) motion under in silico conditions is central to the development of cost‐effective diagnostic tools. Specifically, unraveling the relationship between the rheological properties and the nature of shape change in the RBC (healthy or infected) can be extremely useful. In case of malarial infection, RBC progressively loses its deformability and tends to occlude the microvessel. In the present study, detailed mesoscopic simulations are performed to investigate the deformation dynamics of an RBC in flow through a constricted channel. Specifically, the manifestation of viscous forces (through flow rates) on the passage and blockage characteristics of a healthy red blood cell (hRBC) vis‐á‐vis an infected red blood cell (iRBC) are investigated. A finite‐sized dissipative particle dynamics framework is used to model plasma in conjunction with a discrete model for the RBC. Instantaneous wall boundary method was used to model no‐slip wall boundary conditions with a good control on the near‐wall density fluctuations and compressibility effects. To investigate the microvascular occlusion, the RBC motion through 2 types of constricted channels, viz, (1) a tapered microchannel and (2) a stenosed‐type microchannel, were simulated. It was observed that the deformation of an infected cell was much less compared with a healthy cell, with an attendant increase in the passage time. Apart from the qualitative features, deformation indices were obtained. The deformation of hRBC was sudden, while the iRBC deformed slowly as it traversed through the constriction. For higher flow rates, both hRBC and iRBC were found to undergo severe deformation. Even under low flow rates, hRBC could easily traverse past the constricted channel. However, for sufficiently slow flow rates (eg, capillary flows), the microchannel was found to be completely blocked by the iRBC.
Potential Use of Squarates and Croconates as Singlet Fission Sensitizers
Authors: López‐Carballeira D. , Casanova D. , Ruipérez F. 
Published: May 2018

AbstractThe geometrical and electronic structures of 44 squarate and croconate derivatives are computationally studied by quantum chemistry methods, in the pursuit of new singlet fission sensitizers. A non‐negligible singlet open‐shell diradical character is observed for most of the studied molecules, which can be controlled through chemical substitution as well as by the size of the central ring. Such a diradical character is related to small singlet‐triplet energy gaps, facilitating the accomplishment of the singlet fission energetic requirements. In general, the present results indicate that squarates hold superior singlet fission capabilities than croconates, although we have identified several derivatives within both families as promising singlet fission sensitizers.
Does it pay to be sustainable? Looking inside the black box of the relationship between sustainability performance and financial performance
Authors: Hussain Nazim , Rigoni Ugo , Cavezzali Elisa 
Published: May 2018

AbstractThe last three decades have witnessed a huge amount of research exploring the linkage between companies' sustainability performance (SP), sustainability disclosure and financial performance (FP). Researchers have applied various methods and techniques to investigate this relationship, yet the results remain equivocal. In this article, we look inside this black box by considering various manifestations of sustainability practices and investigating their link with FP. We apply a manual content analysis technique to analyse the sustainability reports of the 100 best‐performing US firms. Our results reveal that fragmentation in the results is caused by the SP measurement. Additionally, we note that the interlinkages between different SP dimensions and sub‐dimensions are weak and somewhat contradictory. The results help draw important policy implications for the development of an SP reporting framework.
Flexible TiO2/SiO2/C Film Anodes for Lithium‐Ion Batteries
Authors: Jiang Ying , Chen Shi , Mu Daobin , Zhao Zhikun , Li Chunli , Ding Zepeng , Xie Chaoxiang , Wu Feng 
Published: May 2018

AbstractFlexible TiO2/SiO2/C films are prepared by using an electrospinning approach and used as self‐supporting electrodes for lithium‐ion batteries (LIBs), which exhibit excellent high‐rate capability with a capacity of 115.5 mAh g−1 at 8 A g−1 (9.8 C rate) and good storage performance. The LIBs also show high long‐term cycling stability of 700 cycles at 200 mA g−1 with a capacity of 380.1 mAh g−1 and a high capacity retention of 88.3 %. Thus, the TiO2/SiO2/C films have the potential to serve as electrodes for flexible LIBs, owing to their flexibility and excellent electrochemical performance.
Platelet characteristics in patients with essential thrombocytosis
Authors: Pedersen Oliver Heidmann , Larsen Mads Lamm , Grove Erik Lerkevang , van Kooten Niekerk Peter Buur , Bønløkke Søren , Nissen Peter H. , Kristensen Steen Dalby , Hvas Anne‐Mette 
Published: May 2018

BackgroundEssential thrombocytosis (ET) is a myeloproliferative disorder characterized by an increased platelet count. ET is associated with an increased risk of thrombosis, and procoagulant features of the disease may include an increased number of reactive reticulated platelets and an increased aggregation potential. We aimed to explore the association between platelet count, platelet turnover, and platelet aggregation in patients with ET.MethodsWe included 24 ET patients who discontinued antiplatelet therapy prior to blood sampling. Reticulated platelets were assessed as immature platelet count (IPC) and immature platelet fraction by automated flow cytometry (Sysmex XE‐5000). Platelet aggregation was investigated by impedance aggregometry (Multiplate® Analyzer) and aggregation potential by flow cytometry (NAVIOS).ResultsOur results showed that ET patients had increased IPC compared to healthy individuals (median 12.3 vs. median 6.9, P < 0.0001). Furthermore, a positive correlation between platelet count and impedance aggregation was demonstrated using arachidonic acid (r = 0.48, P = 0.02), thrombin‐receptor‐activating‐peptide (r = 0.46, P = 0.03) and adenosine diphosphate (r = 0.56, P = 0.007) as agonists. Finally, an increased aggregation potential was demonstrated in ET patients compared to healthy individuals.ConclusionsThe study showed that ET patients compared to healthy individuals have an increased amount of reticulated platelets and increased aggregation potential. These findings might in part explain the increased thromboembolic risk in patients with ET. © 2018 International Clinical Cytometry Society
Magnetic‐geared motor with a continuously variable transmission gear ratio and its control method
Authors: Morimoto Eiki , Niguchi Noboru , Hirata Katsuhiro 
Published: May 2018

AbstractMagnetic‐geared motors have attracted considerable attention because of their high‐torque density. However, the gear ratio of a magnetic‐geared motor depends on the number of poles in the rotor, which is fixed during operation. In this paper, a magnetic‐geared motor with a continuously variable transmission gear ratio and its control method are proposed. The structure and operational principle of the proposed motor are described. The N–T curve and efficiency are computed and measured using a prototype, and the computed and measured characteristics are compared.
One‐pot Electro‐polymerized SDPAS/PPy/CNTs Modified Electrode for Selective Detection of Dopamine
Authors: Liu Shuangyan , Wang Lei , Duan Guoyi , Wang Linan , Khan Zia Ul Haq , Sun Yanzhi , Chen Yongmei , Wan Pingyu 
Published: May 2018

AbstractTo improve the performance of dopamine (DA) detection in the presence of ascorbic acid (AA) and uric acid (UA), sodium diphenylamine sulfonate/polypyrrole/multi‐walled carbon nanotubes (SDPAS/PPy/CNTs) film was fabricated on the surface of gold electrode through one‐pot polymerization initiated by electrochemical oxidation. SDPAS were covalently embedded into the backbone of PPy to endow the resultant film with numerous negative‐charged terminals, resulting in selective pre‐adsorption of protonated DA+ on the electrode and switching the following anodic reaction to be an adsorption‐controlled process. The detection of DA in the presence of AA and UA by square wave voltammetry method showed an outstanding repeatability with the relative standard deviation of 0.45 %. A good linear relationship was observed between the oxidative peak current and the concentration of DA in the range of 0.827–104 μM (R2=0.993), and the limit of detection (LOD) was calculated to be 0.105 μM (S/N=3).
SimPEL: Simulation‐based power estimation for sequencing studies of low‐prevalence conditions
Authors: Mak Lauren , Li Minghao , Cao Chen , Gordon Paul , Tarailo‐Graovac Maja , Bousman Chad , Wang Pei , Long Quan 
Published: May 2018

ABSTRACTPower estimations are important for optimizing genotype‐phenotype association study designs. However, existing frameworks are designed for common disorders, and thus ill‐suited for the inherent challenges of studies for low‐prevalence conditions such as rare diseases and infrequent adverse drug reactions. These challenges include small sample sizes and the need to leverage genetic annotation resources in association analyses for the purpose of ranking potential causal genes. We present SimPEL, a simulation‐based program providing power estimations for the design of low‐prevalence condition studies. SimPEL integrates the usage of gene annotation resources for association analyses. Customizable parameters, including the penetrance of the putative causal allele and the employed pathogenic scoring system, allow SimPEL to realistically model a large range of study designs. To demonstrate the effects of various parameters on power, we estimated the power of several simulated designs using SimPEL and captured power trends in agreement with observations from current literature on low‐frequency condition studies. SimPEL, as a tool, provides researchers studying low‐frequency conditions with an intuitive and highly flexible avenue for statistical power estimation. The platform‐independent “batteries included” executable and default input files are available at https://github.com/precisionomics/SimPEL.
Monetary and nonmonetary household consumption of health services and the role of insurance benefits: An analysis of the Mexico's National Household Income and Expenditure Survey
Authors: Serván‐Mori Edson , Wirtz Veronika J. 
Published: May 2018

SummaryObjectivesTo study the monetary and nonmonetary consumption of healthcare services at household level in Mexico and the magnitude of the contribution of public programs.MethodsBy using the National Household Income and Expenditure Survey 2012, we performed a cross‐sectional and observational analysis of actual household consumption of health services by insurance type (no insurance, social security, Seguro Popular (SP)). Household consumption was divided into 2 categories: consumption related to “monetary” expenditure in health care and “nonmonetary” consumption in health care by the household. Nonmonetary included self‐consumption or gifts received from other households and institutional contributions such as government payments or private organization transfers.ResultsIn SP households, monetary and nonmonetary consumption of health services represented the highest proportion of available household expenditure (11.2%) compared to uninsured (8.4%) and social security (5.9%) households. The prevalence of outpatient consultation and medicine use is the highest among the health service consumption categories regardless of insurance status. Distribution of nonmonetary versus monetary consumption of health services was pro‐poor: The poorer the households, the larger the proportion of nonmonetary consumption.ConclusionsThe higher probability of receiving nonmonetary resources as a component of health service consumption in SP households is likely to increase the affordability to health services and likely to reduce healthcare expenditures. Future research should focus on the type of nonmonetary consumption of health services at household level to better understand financial protection and access to health care in Mexico.
The promotion of tissue engineering blood vessel patency by CGS21680 through regulating pro‐inflammatory activities of endothelial progenitor cell
Authors: Chen Wen , Xiao Li , Bai Jian , Zeng Wen , Yang Mingcan , Shi Bingyi , Zhu Chuhong 
Published: May 2018

AbstractThe mobilization and homing of endothelial progenitor cells (EPCs) contribute to the rapid endothelialization of tissue engineering blood vessel (TEBV). Inflammation can affect TEBV patency, and monocytes/macrophages (MM) are the main effector cells. But it is not clear how EPCs interact with MM after TEBV transplantation. Our results showed acellular materials would not directly cause acute and severe inflammatory responses but activate E‐selectin expression in homing EPCs, gradually promoting the polarization of MM to the M1. Adenosine A2a receptor agonist CGS21680 promoted the secretion of more proangiogenic factors from MM, inducing EPC migration and mobilization. CGS21680 could inhibit MM polarization to the M1 type through the down‐regulation of EPC proinflammatory molecules, such as E‐selectin. Chitosan/(2‐hydroxypropyl)‐β‐cyclodextrin nanoparticles were prepared to control the release of CGS‐21680 and then modified to TEBVs through layer‐by‐layer assembly. Animal experiments showed that this TEBV can maintain patency for 6 months and good endothelialization was observed. In summary, our results showed the regulation of EPC pro‐inflammatory activities is a new approach to enhance TEBV patency. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 2634–2642, 2018.
A Pharmacokinetic and Pharmacogenetic Analysis of Osteosarcoma Patients Treated With High‐Dose Methotrexate: Data From the OS2006/Sarcoma‐09 Trial
Authors: Lui Gabrielle , Treluyer Jean‐Marc , Fresneau Brice , Piperno‐Neumann Sophie , Gaspar Nathalie , Corradini Nadège , Gentet Jean‐Claude , Marec Berard Perrine , Laurence Valérie , Schneider Pascale , Entz‐Werle Natacha , Pacquement Hélène , Millot Frédéric , Taque Sophie , Freycon Claire , Lervat Cyril , Le Deley Marie Cécile , Mahier Ait Oukhatar Céline , Brugieres Laurence , Le Teuff Gwénaël , Bouazza Naïm ,   for the Sarcoma Group of UNICANCER
Published: May 2018

AbstractGrowing evidence suggests that polymorphisms of genes coding for transporters or enzymes may partially explain the large between subject variability reported for methotrexate (MTX) pharmacokinetics (PK). This prospective study aimed to develop a population PK‐pharmacogenetic model to evaluate the part of between‐subject variability due to single‐nucleotide polymorphisms (SNPs) in transporters and enzyme genes implicated in MTX distribution and elimination. MTX concentrations and 54 SNPs (located in ABCB1, ABCC1, ABCC2, ABCC3, ABCC4, ABCG2, SLC19A1, SLCO1B1, and UGT1A1 genes) were analyzed in patients treated with MTX included in the OS2006/sarcoma‐09 trial (a multicenter, open‐label, phase III trial, ClinicalTrials.gov. Identifier: NCT00470223). PK data were analyzed using the nonlinear mixed‐effect modeling software program Monolix. The influence of each SNP was evaluated using a stepwise procedure under additive, recessive, or dominant genetic model. The likelihood ratio test was used to test the effect of each SNP on PK parameters. Overall, 187 patients with 7898 MTX blood concentrations were included in the PK‐pharmacogenetic analysis. A 2‐compartment model adequately described the data. Although high‐dose MTX dosing recommendations in pediatric patients are currently based on body surface area, body weight was more predictive of clearance between‐subject variability than body surface area. The most significant polymorphism associated with MTX clearance was rs13120400 (on the ABCG2 gene) under the recessive genetic model (P < .0001). GG genotype carriers for rs13120400 appeared to have a moderate decrease in MTX exposure compared to AA or GA carriers.
Synthesis and Molecular Drug Efficacy of Indoline‐based Dihydroxy‐thiocarbamides: Inflammation Regulatory Property Unveiled over COX‐2 Inhibition, Molecular Docking, and Cytotoxicity Prospects
Authors: Kumar M Rajesh , Alagumuthu Manikandan , V Violet Dhayabaran 
Published: May 2018

In this study, substituted indoline‐based dihydroxy‐carbamides (5a–i) were synthesized and evaluated as the cyclooxygenase‐2 (COX‐2) inhibitors to testify their inflammatory regulations through COX‐2 inhibition. Enzyme‐linked immunosorbent assay‐based competitive (COX‐2) inhibition (in vitro) followed by a molecular docking study (in silico) was executed to ensure the mode of interaction between5a–iand COX‐2. Apart from COX‐2 inhibition studies, free‐radical scavenging ability (H2O2estimation method) and the human red blood cell membrane protection (in vitroanti‐inflammatory) capability of the compounds5a–iassessment were also evaluated. Excellent antimicrobial and anticancer activity exhibited by thiocarbamide substituted compounds (5a–d) than carbamide (5e–i). In molecular docking studies, the obtained binding affinity values of5a–iindicated the therapeutic selectivity on COX‐2 (PDB ID: 1CX2) over COX‐1 (PDB ID: 1EQG). Established inhibitory constant (ki) values were found as low as in nanomolar/picomolar against COX‐2. Reliable COX‐2 inhibition of 78–92% and IC500.002–1.28 μMwere obtained. Human red blood cell membrane was found to be effectively stabilized/protected by5a–iup to 98%. Excellent antioxidant property (average radical scavenging 92%) and structure–activity relationship predictions confirmed the druggability potentials of5a–ias effective, future anti‐inflammatory drugs. The cytotoxicity of the compounds was also unveiled by MTT assay using MCF‐7 (human breast cancer), SW620 (human colon cancer), G361 (human skin cancer), human breast normal cell lines (MCF‐10), and cell lines.
CD99L2 deficiency inhibits leukocyte entry into the central nervous system and ameliorates neuroinflammation
Authors: Samus Maryna , Seelige Ruth , Schäfer Kerstin , Sorokin Lydia , Vestweber Dietmar 
Published: May 2018

Abstract
Leukocyte entry into the CNS is a crucial step in the development of multiple sclerosis and its animal model experimental autoimmune encephalomyelitis (EAE). Adhesion molecules mediating the docking of leukocytes to the endothelium of the blood–brain barrier (BBB) represent valuable targets for interference with the disease. However, little is known about the adhesion and signaling mechanisms in endothelial cells that mediate the diapedesis through the BBB. Here, we show that conditional Tie-2-Cre driven gene inactivation of CD99L2 inhibits leukocyte entry into the CNS during active MOG35-55-induced EAE and alleviates severity of the disease. No detrimental effect on the immune response was observed. The number of perivascular cuffs around vessels of the CNS was reduced, as was the number of inflammatory foci, sites of demyelination and expression levels of pro-inflammatory cytokines. Three-dimensional analysis of vibratome sections of the CNS revealed an accumulation of leukocytes between endothelial cells and the underlying basement membrane, whereas leukocyte docking to the luminal surface of the endothelium of the BBB was unaffected. Collectively, these results suggest that CD99L2 participates in the development of EAE by supporting diapedesis of leukocytes through the endothelial basement membrane of blood vessels of the BBB in the CNS.
CD99L2 gene-inactivation interferes with EAE by inhibiting diapedesis of leukocytes through the endothelial basement membrane of blood vessels of the BBB in the CNS.
Frontline Science: Buprenorphine decreases CCL2-mediated migration of CD14+CD16+ monocytes
Authors: Jaureguiberry-Bravo Matias , Lopez Lillie , Berman Joan W 
Published: May 2018

Abstract
HIV infection of the CNS causes neuroinflammation and damage that contributes to the development of HIV-associated neurocognitive disorders (HAND) in greater than 50% of HIV-infected individuals, despite antiretroviral therapy (ART). Opioid abuse is a major risk factor for HIV infection. It has been shown that opioids can contribute to increased HIV CNS pathogenesis, in part, by modulating the function of immune cells. HIV enters the CNS within two weeks after peripheral infection by transmigration of infected monocytes across the blood brain barrier (BBB). CD14+CD16+ monocytes are a mature subpopulation that is increased in number in the peripheral blood of HIV-infected people. Mature monocytes can be productively infected with HIV, and they transmigrate preferentially across the BBB in response to CCL2, a chemokine elevated in the CNS and CSF of HIV-infected people even with ART. Buprenorphine, an opioid derivate, is an opioid replacement therapy for heroin addiction. It is a partial agonist of μ-opioid receptor and full antagonist of κ-opioid receptor. The effects of buprenorphine on CCL2-mediated CD14+CD16+ monocytes transmigration across the BBB, a critical mechanism that promotes neuroinflammation and HAND, have not been characterized. We showed for the first time that buprenorphine decreases several steps of CCL2-mediated human mature monocyte transmigration. We propose that buprenorphine treatment in the context of HIV infection could serve a dual purpose, to treat opioid addiction and also to reduce neuroinflammation. Additionally, buprenorphine may be used as a treatment for HAND not only in the context of opioid abuse.
Buprenorphine may decrease neuroinflammation by limiting CCL2-mediated CD14+CD16+ monocytes migration.
Detection and correction of errors in linear antenna arrays
Authors: Appasani Bhargav , Pelluri Rahul , Gupta Nisha 
Published: May 2018

AbstractDetection and correction of errors is a hot topic of research in the field of antenna arrays. The errors in the excitation amplitude result in the adulteration of the radiation pattern, and hence, the dynamic detection and correction of these errors are very important for proper maintenance of the radiation pattern. In this paper, a novel technique for detection and correction of errors in linear antenna arrays is presented. The analytical nature of the proposed approach makes it a viable alternative to the optimization techniques available in the literature. The error in the radiation pattern measured at an angle is expressed as a function of the individual excitation errors, and subsequently, several useful theorems and techniques are presented in the framework of error detection and correction. An exhaustive mathematical explanation followed by numerical simulations is presented to clearly illustrate the advantage of this method in the detection and correction of errors in antenna arrays.