bluuebunny/crossref_metadata_2025_split huggingface dataset:
The design of copper‐coating overpack for the high‐level radioactive waste disposal concept in Japan
Authors: Suzuki Satoru , Ogawa Yusuke , Giallonardo Jason , Keech Peter G. 
Published: August 2020

AbstractFor the geological disposal system in Japan, a vitrified waste will be contained in a metal overpack, which, in turn, will be surrounded by a thick bentonite buffer. The overpack is aiming to prevent the contact of groundwater to vitrified waste during the high radioactivity and heat generation period of the first 1,000 years at least after emplacement. Within the Japanese program, consideration for overpack candidate materials has included carbon steel, copper–steel composite, and titanium–steel composite. Within the extensive safety assessment conducted in 2000, steel was selected. This selection was partly based on the manufacturability of carbon steel, as well as its well‐understood corrosion behavior. However, the understanding of copper corrosion and welding/manufacturing technologies have greatly progressed over the past two decades. In this study, we focus on the copper‐coated container developed by the Nuclear Waste Management Organization, because this technology is seemingly effective to maintain very long‐term containment of hundreds of thousands of years, with a low cost of manufacturing within the Canadian program. We are investigating the applicability of the copper‐coating technologies in terms of the corrosion allowance and mechanical design.
Mapping the Structure–Property Space of Bimodal Polyethylene Using Response Surface Methods. Part 2: Experimental Investigation of Polymer Microstructure and Yield Estimations
Authors: DesLauriers Paul J. , Fodor Jeff S. , Mehdiabadi Saeid , Hegde Venugopal , Soares João B. P. 
Published: August 2020

AbstractA proof of concept for a quick and easy determination of polymer microstructure and yield estimations made with dual catalyst systems through optimally designed experiments and response surface methodology has been experimentally established. Acceptable accuracy (predicted R2 > 0.9780) has been achieved on all the primary target responses (blend molar masses and short chain branching). These primary responses are further deconvoluted into underlying Flory distributions for resolution into component properties and subsequently modeled and predicted accurately (predicted R2 = 0.7440 to 0.9897) for a given set of polymerization conditions. These models are also used to explore their ability to be used for polymerization kinetics evaluation using uptake curves for yield responses. Reasonable predictive ability for yield estimation is also observed (predicted R2 = 0.9346). This methodology has the makings of a new simplified exploratory pathway for inexpensive kinetic investigation and product prediction for dual metallocene catalyst systems.
Endowment for a rainy day? An empirical analysis of endowment spending by operating public charities
Authors: Qu Heng 
Published: August 2020

AbstractThere has been growing public attention to the accumulation and spending of endowments in recent years. Scholars have offered different theories on the objective of endowments that have different implications for endowment spending. Yet, there are limited empirical studies and they mostly focus on universities. Using the Form 990 data between 2009 and 2016, this study examines how endowments are actually spent for four types of operating charities, including museums, universities, hospitals, and K‐12 schools. The descriptive results show that there are considerable cross‐sectional differences in endowment characteristics across these types of organizations. The fixed effects analyses further demonstrate different types of organizations have different payout responses to changes in endowment returns, non‐endowment income, and contributions to endowment. However, the study does not find any empirical evidence that organizations use endowments as rainy day funds. This article extends the understanding on endowment spending behavior from universities to other types of operating charities that also hold endowments. The findings provide empirical evidence that may inform the existing debate on endowment spending and have practical implications for endowment management.
Solution of the linear and nonlinear advection–diffusion problems on a sphere
Authors: Skiba Yuri N. , Cruz‐Rodríguez Roberto C. , Filatov Denis M. 
Published: August 2020

AbstractVarious linear advection–diffusion problems and nonlinear diffusion problems on a sphere are considered and solved using the direct, implicit and unconditionally stable finite‐volume method of second‐order approximation in space and time. In the absence of external forcing and dissipation, the method preserves the total mass of the substance and the norm of the solution. The component wise operator splitting allows us to develop the direct (noniterative) and fast numerical algorithm. The split problems in the longitudinal direction are solved using the Sherman‐Morrison formula and Thomas algorithm. The direct solution of the split problems in the latitudinal direction requires the use of the bordering method for a block matrix, and the preliminary determination of the solution at the poles. The resulting systems with tridiagonal matrices are solved by the Thomas algorithm. The numerical experiments demonstrate that the method correctly describes the local advection–diffusion processes on the sphere, in particular, through the poles, and accurately simulate blow‐up regimes (unlimited growing solutions) of nonlinear combustion, the propagation of nonlinear temperature and spiral waves, and solutions to Gray‐Scott reaction–diffusion model.
Characterization of barium titanate reinforced acrylonitrile butadiene rubber composites for flexible electronic applications: influences of barium titanate content
Authors: Luangchuang Piyawadee , Chueangchayaphan Narong , Sulaiman Muhammad Azwadi , Chueangchayaphan Wannarat 
Published: August 2020

AbstractThe aim of this study was to develop high dielectric constant flexible polymers with a highly efficient and cost‐effective approach using acrylonitrile butadiene rubber (NBR) as the polymer matrix and barium titanate (BT) as the high dielectric constant filler. The BT powder was synthesized with a solid‐state reaction and was characterized using a particle size analyzer, XRD, SEM and Fourier transform infrared spectroscopy. NBR/BT composites were fabricated using an internal mixer with various BT loadings up to 160 phr. The influence of BT loading on the cure characteristics and mechanical, dynamic mechanical, thermal, dielectric and morphological properties was determined. The incorporation of BT in the NBR matrix shortened scorch time and increased delta torque. The mechanical properties, thermal stability and dielectric constant were greatly improved and increased with BT loading. The results suggest that the reinforcement effect was achieved due to strong hydrogen bonding or polar–polar interactions between NBR matrix and BT filler. This is further corroborated by the good dispersion of BT filler in the NBR matrix observed with SEM imaging. These findings can be applied to produce high‐performance dielectric elastomers. © 2020 Society of Industrial Chemistry
The Sperm Proteome of the Oyster Crassostrea hongkongensis
Authors: Mu Huawei , Ke Shengwei , Zhang Duo , Zhang Yanjie , Song Xiaoyuan , Yu Ziniu , Zhang Yang , Qiu Jian‐Wen 
Published: August 2020

AbstractSperm proteins play vital roles in fertilization, but little is known about their identities in free‐spawning marine invertebrates. Here, 286 sperm proteins are reported from the Hong Kong oyster Crassostrea hongkongensis using label‐free and semi‐quantitative proteomics. Proteins extracted from three sperm samples are separated by SDS‐PAGE, analyzed by LC‐MS/MS, and identified using Mascot. Functional classification of the sperm proteome reveals energy metabolism (33%), signaling and binding (23%), and protein synthesis and degradation (12%) as the top functional categories. Comparison of orthologous sperm proteins between C. hongkongensis, Crassostrea gigas, Mytilus edulis, and M. galloprovincialis suggests that energy metabolism (48%) is the most conserved functional group. Sequence alignment of the C. hongkongensis bindin, an acrosomal protein that binds the sperm and the egg, with those of three other Crassostrea species, reveals several conserved motifs. The study has enriched the data of invertebrate sperm proteins and may contribute to studies of mechanisms of fertilization in free‐spawning invertebrates. The proteomic data are available in ProteomeXchange with the identifier PXD018255.
De‐tert‐butylation of poly(N‐tert‐butyl‐N‐n‐propylacrylamide): Stereochemical analysis at the triad level
Authors: Hirano Tomohiro , Sugiura Misato , Endo Ryuya , Oshimura Miyuki , Ute Koichi 
Published: August 2020

AbstractThe stereochemical analysis of polymers derived from N,N‐disubstituted acrylamides is usually difficult. The diad tacticity can be determined from the 1H nuclear magnetic resonance (NMR) signals of the main‐chain methylene groups. However, the splitting because of the configurational sequences is poor, even in 13C NMR, which does not allow determination of the tacticity at the triad level. In contrast, the stereochemical analysis of polymers derived from N‐monosubstituted acrylamides is easily conducted and the triad tacticity can be determined from the 13C signals of the main‐chain methine groups. Thus, stereochemical analysis of N,N‐disubstituted polymers should be able to be conducted if the polymers are transformed into N‐monosubstituted polymers with retention of the configurational sequence. Poly(N‐tert‐butyl‐N‐n‐propylacrylamide) was radically prepared, and de‐tert‐butylation was conducted by treatment with scandium triflate in a mixed solvent of CH3CN and 1,4‐dioxane at 50, 80, and 110°C. 1H NMR analysis of the resulting polymers indicated quantitative conversion after 72 hr, regardless of the temperature. 13C NMR analysis of the transformed polymers confirmed that the configurational sequences were retained during the reaction. Thus, the triad stereochemical analysis of N,N‐disubstituted polymers was successfully conducted by de‐tert‐butylation as a polymer reaction, followed by 13C NMR analysis of the transformed polymers.
Cold atmospheric plasma inactivation of aerosolized microdroplets containing bacteria and purified SARS‐CoV‐2 RNA to contrast airborne indoor transmission
Authors: Bisag Alina , Isabelli Pasquale , Laurita Romolo , Bucci Cristiana , Capelli Filippo , Dirani Giorgio , Gherardi Matteo , Laghi Giulia , Paglianti Alessandro , Sambri Vittorio , Colombo Vittorio 
Published: August 2020

AbstractOne of the major concerns in the COVID‐19 pandemic is related to the possible transmission in poorly ventilated spaces of SARS‐CoV‐2 through aerosol microdroplets, which can remain in the air for long periods of time and be transmitted to others over distances >1 m. Cold atmospheric pressure plasmas can represent a promising solution, thanks to their ability in producing a blend of many reactive species, which can inactivate the airborne aerosolized microorganisms. In this study, a dielectric barrier discharge plasma source is used to directly inactivate suitably produced bioaerosols containing Staphylococcus epidermidis or purified SARS‐CoV‐2 RNA flowing through it. Results show that for low residence times (<0.2 s) in the plasma region a 3.7 log R on bacterial bioaerosol and degradation of viral RNA can be achieved.
Metabolites modulate the functional state of human uridine phosphorylase I
Authors: Huang Yu‐Ting , Yeh Pei‐Chin , Lan Shih‐Chun , Liu Pei‐Fen 
Published: August 2020

AbstractMetabolic pathways in cancer cells typically become reprogrammed to support unconstrained proliferation. These abnormal metabolic states are often accompanied by accumulation of high concentrations of ATP in the cytosol, a phenomenon known as the Warburg Effect. However, how high concentrations of ATP relate to the functional state of proteins is poorly understood. Here, we comprehensively studied the influence of ATP levels on the functional state of the human enzyme, uridine phosphorylase I (hUP1), which is responsible for activating the chemotherapeutic pro‐drug, 5‐fluorouracil. We found that elevated levels of ATP decrease the stability of hUP1, leading to the loss of its proper folding and function. We further showed that the concentration of hUP1 exerts a critical influence on this ATP‐induced destabilizing effect. In addition, we found that ATP interacts with hUP1 through a partially unfolded state and accelerates the rate of hUP1 unfolding. Interestingly, some structurally similar metabolites showed similar destabilization effects on hUP1. Our findings suggest that metabolites can alter the folding and function of a human protein, hUP1, through protein destabilization. This phenomenon may be relevant in studying the functions of proteins that exist in the specific metabolic environment of a cancer cell.
Structural, elastic, and electronic properties of MgB2C2 under pressure from first‐principles calculations
Authors: Liu Lili , Wang Miao , Hu Lei , Wen Yufeng , Jiang Youchang 
Published: August 2020

AbstractFirst‐principles calculations using the projected augmented plane wave method have been performed to investigate the structural, elastic, and electronic properties of MgB2C2 under different pressures. The results indicate that the ternary compound MgB2C2 remains mechanically stable under pressure ranging from 0 to 50 GPa. Elastic analysis is performed, and it is found that MgB2C2 always shows obvious intrinsic brittleness under pressure, although there is an increasing trend of ductility, both from BH/GH and νH, with increasing pressure. (100), (010), and () planes show strong anisotropy, and the degree of anisotropy decreases with increasing pressure; in the meantime, it is interesting to find that the degree of anisotropy is reduced in the following order of planes under the same pressure.
Bronchopleural communication following intrapleural doses of tPA/DNase for empyema
Authors: Roy Bapti , Teh Mark C. , Kuok Yi Jin , Lee Y. C. Gary 
Published: August 2020

AbstractIntrapleural tissue plasminogen activator (tPA) and deoxyribonuclease (DNase) therapy is a new treatment for pleural infection. Clinical experiences of tPA/DNase therapy, and its complications, are cumulating. We present a patient with multiloculated empyema but no initial evidence of a bronchopleural fistula. She was treated with antibiotics and chest tube drainage of the basal collection through which four doses of tPA/DNase were delivered with success. The lateral collection worsened necessitating separate tube drainage and tPA/DNase treatment. She reported chest “fullness” when instilled the second dose. The third instillation of tPA triggered immediate vigorous coughing and expectoration of salty‐tasting fluid, likely the tPA/saline solution. The symptoms spontaneously settled after 15 min, with no evidence of air leak. The loculated fluid was successfully evacuated. The patient made a full recovery after an antibiotic course with no long‐term consequences. Pulmonary migration of drugs via a bronchopleural communication, although rare, can occur with intrapleural tPA/DNase therapy.
Tropine‐Based Ionic Liquid Gel for Adsorption of Protein Ovalbumin: High Capacity, Selectivity and Biocompatibility
Authors: Li Fulin , Lin Min , Yao Shun , Wang Xuejiao , Zhu Minghui , Song Hang 
Published: August 2020

AbstractChicken ovalbumin (OVA) and lysozyme (LZ) are important biological products, which come from the egg‐white. However, the separation of OVA and LZ is realized by traditional salting‐out method needing large amount of ammonium sulfate, leading to lysozyme enzyme activity reducing. In this work, we used a tropine‐based ionic liquid (IL) hydrogel to separate OVA and LZ. The adsorption isotherms, thermodynamics and kinetics were investigated. The IL gel showed maximum adsorption capacity of 926 mg g−1 for OVA, nearly 152 % higher than that reported in other literature. Moreover, the secondary structure of desorbed OVA was confirmed by fluorescence spectroscopy (FL), circular dichroism spectra (CD) and differential scanning calorimetry (DSC). The material presented high OVA adsorption capacity, excellent OVA selectivity and good biocompatibility in OVA‐LZ protein system. It could be considered as a promising material for preferential protein adsorption, at least for separation of OVA and LZ.
Nitrogen Doped Carbon Nanomaterial as Electrocatalyst for Oxygen Reduction Reaction in Acidic Media: To use in Electro‐Fenton
Authors: Kamaraj Ramakrishnan , Nesakumar Noel , Vasudevan Subramanyan 
Published: August 2020

AbstractThe doped heteroatom in carbon matrices plays a crucial role in the electro‐Fenton process. Here, we investigated the electrocatalytic activities of the acetonitrile –derived (by flame synthesis) nitrogen‐doped carbon nanomaterials for the two‐electron oxygen reduction reaction (ORR) in the electro‐Fenton process, focusing on the peroxide generation and degradation of chlorophenoxy acid herbicides from contaminated water. Besides, we studied the anodic oxidation of chlorophenoxy acid herbicides from the water, and comparatively electrochemically generated OH radicals yield the higher degradation efficiency. To study the fundamental property, the linear sweep voltammetry studies of nitrogen‐doped carbon cathode material exhibits the excellent electrocatalytic activity towards 2 electron transfer oxygen reduction reaction in acidic conditions and successfully applied for the degradation of herbicides This work provides a feasible synthetic approach for scalable production of acetonitrile derived high‐performance carbon‐based ORR catalyst. The degradation results point out that, nitrogen‐doped carbon nanomaterial is one of the promising cathode materials for the degradation of organic pollutants by electro‐Fenton process
Synthesis of Various Derivatives of [1,3]Selenazolo[4,5‐d]pyrimidine and Exploitation of These Heterocyclic Systems as Antibacterial, Antifungal, and Anticancer Agents
Authors: Sheikhi‐Mohammareh Seddigheh , Shiri Ali , Maleki Ebrahim H. , Matin Maryam M. , Beyzaei Hamid , Baranipour Parviz , Oroojalian Fatemeh , Memariani Toktam 
Published: August 2020

AbstractA number of diversely functionalized derivatives of a novel [1,3]selenazolo[4,5‐d]pyrimidine have been synthesized through heterocyclization of some 2,4,5‐trisubstituted‐1,3‐selenazoles with orthoesters in refluxing acetic acid. The synthetic compounds were evaluated for their antimicrobial activity against a panel of microorganisms including Gram‐negative bacteria, Gram‐positive bacteria, and pathogenic fungi. The antifungal results revealed that the new selenium‐containing heterocycles were as good as or sometimes better than terbinafine and fluconazole. The in vitro anticancer activities of aforementioned heterocyclic compounds were screened against human breast carcinoma MCF‐7 and HeLa cervical cancer cells as well as HDF (human dermal fibroblast) normal cells. Antiproliferative results indicated that compounds with piperidine moiety on MCF‐7 cells and with morpholine moiety on HeLa cells exhibited well broad‐spectrum of anticancer activities with 397, 298 and 235 μM and 533, 390 and 204 μM of IC50 values after 24, 48 and 72 h of treatments, respectively, while they had no significant toxic effects on normal cells.
Selective Oxidation of 5‐Hydroxymethylfurfural to 2,5‐Furandicarboxylic Acid over MnOx‐CeO2 Supported Palladium Nanocatalyst under Aqueous Conditions
Authors: Yan Changhao , Song Hongyao , Zhang Yunlei , Wei Yanan , Wang Kai , Li Bing , Yuan Shouqi , Yan Yongsheng 
Published: August 2020

AbstractSelective aerobic oxidation of biomass‐derived 5‐hydroxymethylfurfural (HMF) into high value‐added 2,5‐furandicarboxylic acid (FDCA) is regarded as one of the most attractive biomass transformations due to a wide range of its application prospects, particularly as an important renewable alternative to petroleum‐derived terephthalic acid in the synthesis of useful polymers. Herein, a novel MnOx−CeO2 (MC) supported palladium catalyst was synthesized and applied for the aerobic oxidation of HMF into FDCA in KHCO3 aqueous solution. The physical and chemical properties of the obtained catalysts were systematically characterized by TEM, N2 adsorption and desorption, XRD, TG, XPS, and H2‐TPR characterization methods. And the highest yield of FDCA at 92.5 % was achieved under the optimal reaction conditions. Moreover, regeneration tests revealed the synthesized Pd/MC catalyst can be recovered and reused at least five times without significant loss of catalytic activity. The developed facile reaction system with Pd/MC catalysts offers a new route to large‐scale and economically viable processes for the oxidation of HMF into FDCA.
Effect of Microstructures on the Acidity and Catalytic Performance for H2Ti3O7 Nanomaterials
Authors: Xu Congbo , He Jie , Zhang Wei , Cui Hongshan , Zhu Jichao , Hu Lifang 
Published: August 2020

AbstractThe effects of the microstructure of H2Ti3O7 nanomaterials on the acidity and catalytic performance were examined. Layered metal oxides H2Ti3O7, two‐dimensional H2Ti3O7 nanosheets and one‐dimensional H2Ti3O7 nanotubes were successfully synthesized. The physicochemical properties of the as‐prepared catalysts were characterized by XRD, SEM, TEM, TG, BET, LRS and Py‐FTIR. Esterification of acetic acid with n‐butanol was employed as test reaction to evaluate the catalytic performance of the as‐prepared solid acid catalysts. The results show that the microstructure is important to the catalytic activity, and the catalytic performance of the nanotubes is significantly higher than the values from nanosheets and layered H2Ti3O7. H2Ti3O7 nanotubes with multi‐walled scroll‐type open end structure possess the largest specific surface area among the as‐prepared catalysts, and it has stronger Brønsted acid strength and larger acid amount than that of nanosheets. The high catalytic activity for nanotubes may result from surface acid characteristics and confinement effect.
Antimicrobial use practices and resistance in indicator bacteria in communal cattle in the Mnisi community, Mpumalanga, South Africa
Authors: Mupfunya Charlotte Ropafadzo , Qekwana Daniel Nenene , Naidoo Vinny 
Published: August 2020

AbstractSurveillance of antimicrobial use and antimicrobial resistance is a critical component of the “Global Action Plan” to tackle antimicrobial resistance. However, there is a paucity of such surveillance in communal farming areas in South Africa. This study investigated knowledge and antimicrobial use practices by cattle farmers and antimicrobial resistance levels of indicator bacteria in cattle in a rural communal farming area in South Africa. Seventy (70) farmers were interviewed at five cattle inspection sites using structured questionnaires. Rectal swabs were collected from apparently healthy cattle (n = 100) for culture of Escherichia coli and Enterococcus species, and antimicrobial susceptibility testing using broth microdilution. The farmers indicated predominantly using tetracyclines. Although 42% of the farmers indicated hearing about antimicrobial resistance, none of them clearly understood what it involves. Seventy‐nine (79) E. coli and 71 Enterococcus species were isolated with E. faecium being the dominant species among the Enterococcus isolates. E. coli isolates were resistant to colistin (16%; 13/79), chlortetracycline (8%; 6/79) and amoxicillin (8%; 6/79). Enterococcus isolates were resistant to enrofloxacin (55%; 39/71) and amoxycillin (3%; 2/71). We observed knowledge gaps in prudent antimicrobial use practices and antimicrobial resistance among the farmers. Farmer tailored education programmes on primary animal health care and prudent antimicrobial use practices must be developed and implemented to improve antimicrobial stewardship among farmers with limited veterinary supervision. The level of colistin resistance detected among E. coli isolates from rural communal cattle in this study was unexpected and warrants further molecular investigation to check if the resistance is plasmid mediated.