bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced biofilm formation aids adaptation to extreme warming and environmental instability in the diatom Thalassiosira pseudonana and its associated bacteria
Authors: Schaum C.‐E. 
Published: September 2018

AbstractRecent studies have highlighted the capacity of marine diatoms at the foundation of ocean food webs and biogeochemical cycles to respond to environmental change. These responses are a combination of physiological acclimation and evolutionary responses. The latter occur rapidly within a few hundred generations (translating to a scale of months to years), due to the large standing genetic variation and short generation times of diatom populations. Studies are usually carried out on diatom species in their planktonic state, but this may constitute a stark oversimplification: diatoms readily form biofilms in the water column of shallow coastal areas, where biofilm formation affects carbon export, and in the benthos, where biofilms contribute significantly to sediment stability. Here, I have carried out a 400‐generation selection experiment, where I evolved the diatom Thalassiosira pseudonana and its associated bacteria. Bacteria and diatom were cultured in their planktonic form, and under strong selection for rapid biofilm formation in temperature and nutrient regimes differing in their severity and stability. I find that biofilm formation is enhanced under mild warming and rapid thermal fluctuations but not under extreme warming regardless of nutrient availability. Evolutionary responses are slower in biofilms under benign conditions but speed up under extreme and fluctuating conditions. Taxonomic composition of the associated bacteria is driven by the temperature selection regime in biofilms but not in planktonic samples. I also show that T. pseudonana, when selected for biofilm formation, presents predictable and sequential morphologies that are not usually observed in planktonic T. pseudonana.
Cholesterol Modification Enhances Antimetastatic Activity and siRNA Delivery Efficacy of Poly(ethylenimine)‐Based CXCR4 Antagonists
Authors: Wu Pengkai , Luo Xingping , Wu Hui , Yu Fei , Wang Kaikai , Sun Minjie , Oupicky David 
Published: September 2018

AbstractChemokine receptor CXC receptor 4 (CXCR4) plays a crucial role in cell invasion and metastasis of multiple types of cancer. Dual‐function polymeric CXCR4 antagonists based on cyclam‐modified poly(ethylenimine) (C‐PEI) have been shown to have potential as nucleic acid delivery vectors and antimetastatic therapeutics in recent studies. How cholesterol modification of C‐PEI affects the ability of the polycation to deliver siRNA and inhibit CXCR4 is tested here. It is shown that the C‐PEI with the lower content of cholesterol exhibits the highest siRNA transfection efficiency and demonstrates enhanced CXCR4 antagonism and antimetastatic activity in a breast cancer model in vivo. Overall, the cholesterol modification of C‐PEI is a viable strategy to achieve efficient delivery of siRNA and simultaneous CXCR4 inhibition for combined antimetastatic therapies is validated by this study.
Injectable Supramolecular Hydrogel/Microgel Composites for Therapeutic Delivery
Authors: Chen Minna H. , Chung Jennifer J. , Mealy Joshua E. , Zaman Samir , Li Elizabeth C. , Arisi Maria F. , Atluri Pavan , Burdick Jason A. 
Published: September 2018

AbstractShear‐thinning hydrogels are useful for biomedical applications, from 3D bioprinting to injectable biomaterials. Although they have the appropriate properties for injection, it may be advantageous to decouple injectability from the controlled release of encapsulated therapeutics. Toward this, composites of hydrogels and encapsulated microgels are introduced with microgels that are fabricated via microfluidics. The microgel cross‐linker controls degradation and entrapped molecule release, and the concentration of microgels alters composite hydrogel rheological properties. For the treatment of myocardial infarction (MI), interleukin‐10 (IL‐10) is encapsulated in microgels and released from composites. In a rat model of MI, composites with IL‐10 reduce macrophage density after 1 week and improve scar thickness, ejection fraction, cardiac output, and the size of vascular structures after 4 weeks when compared to saline injection. Improvements are also observed with the composite without IL‐10 over saline, emphasizing the role of injectable hydrogels alone on tissue repair.
Exploring materialism and frugality in determining product end‐use consumption behaviors
Authors: Evers Uwana , Gruner Richard L. , Sneddon Joanne , Lee Julie A. 
Published: September 2018

AbstractMaterialism is often blamed for consumers’ unsustainable consumption behaviors and its contribution to a growing “throwaway culture.” Conversely, frugal consumers are regarded as both restrained in their acquisition, and resourceful in their use and disposal of products. In this paper, the authors challenge and empirically test these prevailing beliefs. The authors focus on a much‐neglected aspect of the consumption continuum: the disposal of products at the end‐use of consumption, and how key consumer traits (i.e., materialism and frugality) influence behaviors at this stage. Specifically, the authors examined three creative end‐use consumption behaviors with a sample of 398 US consumers. Results support the counter‐intuitive notion that materialism, alongside frugality, has a positive impact on consumers’ sustainable consumption behaviors. The data suggest that materialistic consumers are prone to finding new and different uses for products and alternative methods of product disposal. The study’s results also support the notion that frugality interacts with materialism to increase intentions to find alternative methods of product disposal. The authors discuss the implications pertaining to their findings and pave the way for future research in sustainable consumption.
Plausible versus implausible tensile price claim: Selective accessibility model approach
Authors: Lee Jung Eun 
Published: September 2018

AbstractRetailers frequently use exaggerated price discount advertisements with a tensile price claim (TPC; e.g., “Save up to 70%”) to attract consumers because they expect that once consumers enter a store, they will purchase low‐ or medium‐discounted products. Drawing on the selective accessibility model, this study investigated the way in which an implausibly high maximum level of savings stated in a TPC influences consumers’ expected price discount (EPD) and perceptions of actual price discounts across different types of TPCs (i.e., TPC stating a maximum level and TPC stating a range of savings). This study also investigated two situations in which consumers have previous knowledge of a product’s price discount versus when they have less or no knowledge of the discount. For both conditions, a single‐anchor TPC (i.e., “Save up to Y%”) that stated an implausible maximum level of savings led to a higher EPD and lower perceptions of the deal (i.e., perceived savings, price fairness, and perceived value) with respect to the actual price discount than did a TPC with a plausible maximum level of savings. In contrast, when the TPC stated two anchors (i.e., “Save X–Y%”) and consumers had knowledge of the price discount, their EPDs assimilated only toward the plausible anchor (X), and ignored the implausibly high maximum price discount (Y), resulting in a lower EPD and higher perceptions of the deal of the actual price discounts than a TPC that stated a plausibly high maximum level of savings. In contrast, when consumers had no knowledge of the price discount, their EPDs only adjusted toward the more plausible anchor (X), regardless of whether they perceived the maximum anchor as plausible or implausible. Thus, there was no difference in consumers’ perceptions of “Save X–Y%” between implausibly and plausibly high Y%.
Data Visualization, Regression, Applicability Domains and Inverse Analysis Based on Generative Topographic Mapping
Authors: Kaneko Hiromasa 
Published: September 2018

AbstractThis paper introduces two generative topographic mapping (GTM) methods that can be used for data visualization, regression analysis, inverse analysis, and the determination of applicability domains (ADs). In GTM‐multiple linear regression (GTM‐MLR), the prior probability distribution of the descriptors or explanatory variables (X) is calculated with GTM, and the posterior probability distribution of the property/activity or objective variable (y) given X is calculated with MLR; inverse analysis is then performed using the product rule and Bayes’ theorem. In GTM‐regression (GTMR), X and y are combined and GTM is performed to obtain the joint probability distribution of X and y; this leads to the posterior probability distributions of y given X and of X given y, which are used for regression and inverse analysis, respectively. Simulations using linear and nonlinear datasets and quantitative structure‐activity relationship (QSAR) and quantitative structure‐property relationship (QSPR) datasets confirm that GTM‐MLR and GTMR enable data visualization, regression analysis, and inverse analysis considering appropriate ADs. Python and MATLAB codes for the proposed algorithms are available at https://github.com/hkaneko1985/gtm‐generativetopographicmapping.
Imperfect magnetic field gradients in radial k‐space encoding—Quantification, correction, and parameter dependency
Authors: Moussavi Amir , Boretius Susann 
Published: September 2018

PurposeSensitivity to imperfections of image‐encoding gradient fields may significantly impair widespread use of radial MR data acquisition. Such imperfections can cause individual echo shifts for each spoke acquired in the k‐space and may produce severe image artifacts. Therefore, fast and robust methods to quantify and correct for those echo shifts are required.Theory and MethodsEcho shifts can be induced by inhomogeneities of the static magnetic field (δnB) and by imbalances of the imaging gradients (δnG) mainly caused by eddy currents. However, mismatch between data acquisition and gradient switching may additionally play a role. From the position of the echo maxima of 2 opposing spokes, δnG and δnB can be determined and corrected by adapting the read‐dephasing gradient accordantly. This approach was implemented on MR‐systems of different field strengths, gradient systems, and vendors, and the dependencies of echo shift and acquisition parameters were analyzed. Data sets of phantoms and of mice under in vivo conditions were obtained using RF‐spoiled 2D radial‐FLASH.ResultsThe presented method allowed for echo‐shift detection and correction of < 1 data point, significantly improving the image quality in vitro and in vivo. Moreover, the method separated the effect of imbalanced gradients from those of magnetic inhomogeneities. The observed echo shifts were MR system‐specifically dependent on acquisition parameters such as gradient strengths and dwell time.ConclusionsBy acquiring 12 spokes for a certain set of acquisition parameters, the proposed method successfully corrects echo shift‐related image artifacts independently of the MR system.
Prediction of cross‐clade HIV‐1 T‐cell epitopes using immunoinformatics analysis
Authors: Khairkhah Niloofar , Namvar Ali , Kardani Kimia , Bolhassani Azam 
Published: September 2018

AbstractEpitope mapping has emerged as a powerful tool to develop peptide vaccines against hypervariable viruses such as HIV. This method has led to stimulate a specific immune response and achieve advanced vaccine formulations. In this study, we identified peptides that were potentially immunostimulatory and highly conserved in HIV‐1 main group. The analyses included were CTL assay, Tap transport, and the potential allergenicity. The highest population coverage rate was also found for all potential T‐cell epitopes in 16 specified geographic regions of the world. The current study is the first attempt to explore peptide‐protein flexible docking across all the major epitopes of HIV‐1. Our data indicated that REV54‐63and VPU58‐66 with the highest epitope identification scores, GP16037‐46 and VPR38‐47 with the highest conservation (98.89%), and NEF134‐144 and GP16037‐46 epitopes with a higher quality of peptide‐protein interaction models in docking procedure were chosen as putative epitopes among all HLA class I epitopes. TAT40‐67, VPR65‐82, and VPU30‐44 with the highest score of binding affinity, VPR65‐82 with the highest conservation (97.55%), and GP160481‐498 epitope with a higher quality of peptide‐protein interaction models in docking procedure were determined as putative epitopes among all HLA‐DR epitopes. Furthermore, two epitopes of GP160481‐498 and VIF144‐159 were predicted to bind 22 and 21 HLA‐II alleles, respectively. Accumulative population coverage of potential helper T‐cell epitopes and CTL epitopes varied between 90.82% and 100%. Generally, these predicted highly immunogenic T‐cell epitopes can contribute to design HIV‐1 peptide vaccine candidates. Combination of bioinformatics tools with in vivo methods will be necessary for HIV‐1 vaccine development.
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV‐1 protease by enhanced conformational sampling
Authors: Chen Jianzhong , Peng Cheng , Wang Jinan , Zhu Weiliang 
Published: September 2018

AbstractRecently, allosteric regulations of HIV‐1 protease (PR) are suggested as a promising approach to relieve drug resistance of mutations toward inhibitors targeting the active site of PR. Replica‐exchange molecular dynamics (REMD) simulations and normal mode analysis (NMA) are integrated to enhance conformational sampling of PR. Molecular mechanics generalized Born surface area (MM‐GBSA) method was applied to calculate binding free energies of three inhibitors APV, DRV, and NIT to the wild‐type (WT) and multidrug resistance (MDR) PRs. The results suggest that binding free energies of APV and DRV are decreased in the MDR PR relative to the WT PR, suggesting drug resistance of mutations on these two inhibitors. However, the binding ability of the allosteric inhibitor NIT is not impaired in the MDR PR. In addition, internal dynamics analysis based on REMD simulations proves that mutations hardly produce obvious effect on the conformation of the MDR PR in comparison to the WT PR. Scanning of hydrophobic contacts and hydrogen bond contacts of inhibitors with residues of PRs on the concatenated trajectories of REMD demonstrates that mutations change the symmetric interaction networks of APV and DRV with PR, but do not generate obvious influence on the asymmetric interaction network of NIT with PR. In summary, allosteric inhibitor NIT can adapt the MDR PR better than those inhibitors toward the active site of PR, thus allosteric inhibitors of PR may be a possible channel to overcome drug resistance of PR.
Population Pharmacokinetics of Apixaban in Subjects With Nonvalvular Atrial Fibrillation
Authors: Cirincione Brenda , Kowalski Kenneth , Nielsen Jace , Roy Amit , Thanneer Neelima , Byon Wonkyung , Boyd Rebecca , Wang Xiaoli , Leil Tarek , LaCreta Frank , Ueno Takayo , Oishi Masayo , Frost Charles 
Published: September 2018

This analysis describes the population pharmacokinetics (PPK) of apixaban in nonvalvular atrial fibrillation (NVAF) subjects, and quantifies the impact of intrinsic and extrinsic factors on exposure. The PPK model was developed using data from phase I–III studies. Apixaban exposure was characterized by a two‐compartment PPK model with first‐order absorption and elimination. Predictive covariates on apparent clearance included age, sex, Asian race, renal function, and concomitant strong/moderate cytochrome P450 (CYP)3A4/P‐glycoprotein (P‐gp) inhibitors. Individual covariate effects generally resulted in < 25% change in apixaban exposure vs. the reference NVAF subject (non‐Asian, male, aged 65 years, weighing 70 kg without concomitant CYP3A4/P‐gp inhibitors), except for severe renal impairment, which resulted in 55% higher exposure than the reference subject. The dose‐reduction algorithm resulted in a ~27% lower median exposure, with a large overlap between the 2.5‐mg and 5‐mg groups. The impact of Asian race on apixaban exposure was < 15% and not considered clinically significant.
Stereoinversion of R‐Configured Secondary Alcohols Using a Single Enzymatic Approach
Authors: Musa Musa M. , Karume Ibrahim , Takahashi Masateru , Hamdan Samir M. , Ullah Nisar 
Published: September 2018

AbstractHere, we achieved a single‐enzymatic stereoinversion of R‐configured alcohols to their corresponding S enantiomers in high percent conversion and high enantioselectivity. A single mutant of Thermoanaerobacter pseudoethanolicus secondary alcohol dehydrogenase (TeSADH) oxidized R alcohols to their corresponding ketones under conditions that allow selectivity mistakes and then reduced them under stereoselective conditions to generate the corresponding S‐configured alcohols. The success of this stereoinversion relies on controlling the stereoselectivity of the oxidation and the reduction reactions by varying the amounts of acetone and 2‐propanol, respectively. Furthermore, the deployment of the TeSADH mutants W110A and W110G led to stereoinversion of enantiopure R alcohols to their S enantiomers in medium to high enantiomeric excess (up to >99% ee). The disclosed approach of single enzymatic stereoinversion presents a biocatalytic alternative to Mitsunobu inversion reaction.
The effect of childhood sexual assault history on outpatient cognitive processing therapy for military sexual trauma‐related posttraumatic stress disorder: A preliminary investigation
Authors: Holder Nicholas , Holliday Ryan , Surís Alina 
Published: September 2018

AbstractHistory of childhood sexual assault (CSA) may result in poorer emotion regulation and interpersonal functioning, potentially affecting the tolerability and effectiveness of evidence‐based treatments (EBTs) for posttraumatic stress disorder (PTSD). Survivors of military sexual trauma (MST) have an increased incidence of CSA; however, research examining the role of CSA in EBTs for veterans with MST‐related PTSD is limited. Data from 32 (9 male; 23 female) veterans with MST‐related PTSD were used from a previously conducted randomized clinical trial examining the efficacy of an outpatient PTSD EBT (i.e., cognitive processing therapy [CPT]). Self‐rated PTSD symptom severity was assessed at pretreatment, during treatment, and up to 6 months following treatment completion. Number of CPT sessions attended and treatment completion were also examined. Using a hierarchical linear modelling approach, results indicated both veterans with and without a history of CSA were found to benefit from CPT, and history of CSA did not significantly predict treatment response. Additionally, number of sessions attended and treatment completion did not significantly vary based on history of CSA. These preliminary findings provide support for the tolerability and efficacy of outpatient CPT in veterans with MST‐related PTSD regardless of CSA history.
Noble‐Metal‐Free Ni‐MoOx Nanoparticles Supported on BN as a Highly Efficient Catalyst toward Complete Decomposition of Hydrazine Borane
Authors: Li Si‐Jia , Kang Xia , Wulan Ba‐Ri , Qu Xian‐Lin , Zheng Kun , Han Xiao‐Dong , Yan Jun‐Min 
Published: September 2018

AbstractHydrazine borane (HB) has been considered as a promising hydrogen storage material due to its high hydrogen content and stability at room temperature. For the first time, a facile wet‐chemical method is developed to synthesize amorphous/low crystalline noble‐metal‐free Ni‐MoOx/BN composite as a low‐cost and high‐efficient catalyst for hydrogen generation from HB decomposition. The as‐prepared Ni‐MoOx/BN hybrid exerts 100% selective conversion and can catalyze HB complete decomposition within 5 min, corresponding to a turnover frequency (TOF) value of 600.0 h−1 at 323 K. The excellent catalytic activity may be attributed to the good dispersion, uniform particle size (≈2.6 nm), and electronic effect between nanoparticles (NPs) and support material. On further reducing the dosage of Ni, the catalyst still exhibits supreme performance, with the TOF value of 2370 h−1 (nNi = 0.008 mmol) at 323 K, which is the highest one among all the reported catalysts for full decomposition of HB. Thus, the excellent catalytic results provide more possibilities for the effective application of HB as a promising hydrogen storage material.
Ameliorative effect of Rutin on sodium fluoride‐induced hypertension through modulation of Kim‐1/NF‐κB/Nrf2 signaling pathway in rats
Authors: Oyagbemi Ademola Adetokunbo , Omobowale Temidayo Olutayo , Ola‐Davies Olufunke Eunice , Asenuga Ebunoluwa Racheal , Ajibade Temitayo Olabisi , Adejumobi Olumuyiwa Abiola , Afolabi Jeremiah Moyinoluwa , Ogunpolu Blessing Seun , Falayi Olufunke Olubunmi , Ayodeji Fatimah , Hassan Fasilat Oluwakemi , Saba Adebowale Bernard , Adedapo Adeolu Alex , Yakubu Momoh Audu 
Published: September 2018

AbstractSodium fluoride is one of the neglected environmental contaminants. Inorganic fluorides in the environment are found in the air, water, and land. In the study, forty‐male Wistar albino rats were randomly divided into four groups with 10 rats in a group. Group A was the control group which was given normal saline, Group B was exposed to 300 ppm of NaF in drinking water, while Groups C and D received NaF along Rutin (100 mg/kg and 200 mg/kg) orally daily for a week. Administration of NaF alone led to significant increases in blood pressure, and deceased serum nitric oxide. Immunohistochemistry revealed higher expressions of kidney injury molecule I (Kim‐1), nuclear factor kappa beta (NF‐κB), and down regulation of nuclear factor erythroid 2‐related factor 2 (Nrf2) in rats administered NaF. Rutin co‐treatment with NaF normalized blood pressure, lowered Kim‐1 and NF‐κB expressions, and improved nitric oxide bioavailability.
EPA publishes final reporting requirements for TSCA mercury inventory
Authors: Bergeson Lynn L. 
Published: September 2018

AbstractSection 8(b)(10)(B) of the Toxic Substances Control Act, as amended by the Frank R. Lautenberg Chemical Safety for the 21st Century Act (Lautenberg), directs that “[n]ot later than April 1, 2017, and every 3 years thereafter, the Administrator shall carry out and publish” (Environmental Protection Agency [EPA], 2018a, Federal Register, 83, pp. 30054–30077) an inventory of mercury or mercury‐added products or uses of mercury in a manufacturing process. On June 27, 2018, the U.S. EPA published a final rule responding to this legislative mandate. The rule requires certain entities to provide information to assist in the preparation of this inventory. This column outlines the final rule and discusses its implications.