bluuebunny/crossref_metadata_2025_split huggingface dataset:
Privileged Scaffold Analysis of Natural Products with Deep Learning‐based Indication Prediction Model
Authors: Lai Junyong , Hu Jianxing , Wang Yanxing , Zhou Xin , Li Yibo , Zhang Liangren , Liu Zhenming 
Published: May 2020

AbstractNatural products play a vital role in the drug discovery and development process as an important source of reliable and novel lead structures. But the existing criteria for drug leads were usually developed for synthetic compounds and cannot be directly applied to identify lead scaffolds from natural products. To solve this problem, we propose a method to predict indications and identify privileged scaffolds of natural products for drug design. A deep learning model was built to predict indications for natural products. Entropy‐based information metrics were used to identify the privileged scaffolds for each indication and a Privileged Scaffold Dataset (PSD) of natural products was constructed. The PSD could serve as a novel source of lead compounds and circumvent existing drug patents. This method could be generalized by replacing the training set, the prediction algorithm, and the compound set, to obtain more personalized‐PSDs.
A loaded technique for modeling oblique wire in finite‐difference time‐domain method
Authors: Sun Dongyang , Mao Congguang , Du Chuanbao , Bao Weimin , Li Xiaoping 
Published: May 2020

AbstractWhen the thin wire whose orientation cannot be parallel to Cartesian axis is modeled by the finite‐difference time‐domain method, the staircasing introduce numerical errors and nonphysical phenomenon. In order to reduce the influence on the induced current, a loaded technique is proposed. The lumped elements are matched at the grid corner based on the contour‐path model. All the electromagnetic difference equations nearby the wire are modified. The accuracy of the proposed technique is demonstrated by the comparison with the method of moment.
L‐glutamine as a T2 exchange contrast agent
Authors: Joo Chan Gyu , Yang Seung‐Hyun , Choi Yuna , Son Hye‐Young , Kim Dong‐Hyun , Huh Yong‐Min 
Published: May 2020

PurposeThe potential of L‐glutamine as a T2 exchange contrast agent in MRI was investigated.MethodsThe T2 relaxation rate of L‐glutamine solutions prepared in various concentrations was measured at 9.4 T. A series of T2‐weighted images in a mouse cancer model was acquired with an L‐glutamine solution infusion.ResultsThe T2 relaxivity caused by the exchange (R2ex) at 37°C was 0.069 s−1 mM−1 and 0.102 s−1 mM−1 for glutamine and glutamate solutions at pH = 7.2, respectively. The R2ex of glutamine at pH = 6.1–6.7 was in the 0.097–0.1 s−1 mM−1 range. No significant dependence of T1 on the concentration of glutamine was observed. The dynamic measurement of T2‐weighted images in vivo showed that the glutamine uptake was primarily observed at the localized part of the tumorConclusionL‐glutamine can be used as a T2 exchange contrast agent and images of glutamine uptake in vivo can be acquired.
Prevalence of Infection in Hatchery-Origin Chinook Salmon Correlates with Abundance of Ceratonova shasta Spores: Implications for Management and Disease Risk
Authors: Robinson H. Eve , Alexander Julie D. , Hallett Sascha L. , Som Nicholas A. 
Published: May 2020

Abstract
Ceratonova shasta is an endemic myxozoan parasite that impacts salmonid populations in the Klamath River (USA). High densities of C. shasta actinospores negatively affect the survival of migrating juvenile salmonids. Each year, approximately five million fall-run Chinook Salmon Oncorhynchus tshawytscha smolts are released from a hatchery that is located below Iron Gate Dam, and they travel through an infectious zone where the densities of C. shasta spores are elevated and when disease risk is often highest. We examined several documented hypotheses regarding potential factors that contribute to the effects of C. shasta on salmonids in the Klamath River. Our results suggest that hatchery-origin smolts may exacerbate the effects of the disease, as evidenced by an associative relationship between the prevalence of infection in out-migrating hatchery fish with the densities of waterborne C. shasta spores in subsequent seasons (the following fall and spring). We found no evidence that the number of natural spawners, another potential contributor of spores, predicted peak spore density the following spring. Our findings warrant consideration in discussions of hatchery releases and management of flow regimes, and they identify avenues for future research to advance our understanding of how to reduce the adverse effects of C. shasta on salmonids in the Klamath River.
A novel immunocompetent model of metastatic prostate cancer‐induced bone pain
Authors: Liu Zhiqiang , Murphy Stephen F. , Huang Jian , Zhao Lan , Hall Christel C. , Schaeffer Anthony J. , Schaeffer Edward M. , Thumbikat Praveen 
Published: May 2020

AbstractBackgroundOver 70% to 85% of men with advanced prostate cancer (PCa) develop bone metastases characterized by severe bone pain and increased likelihood of bone fracture. These clinical features result in decreased quality of life and act as a predictor of higher mortality. Mechanistically, the skeletal pathologies such as osteolytic lesions and abnormal osteoblastic activity drive these symptoms. The role of immune cells in bone cancer pain remains understudied, here we sought to recapitulate this symptomology in a murine model.MethodsThe prostate cancer bone metastasis‐induced pain model (CIBP) was established by transplanting a mouse prostate cancer cell line into the femur of immunocompetent mice. Pain development, gait dynamics, and the changes in emotional activities like depression and anxiety were evaluated. Animal tissues including femurs, dorsal root ganglion (DRG), and spinal cord were collected at killing and microcomputed tomography (μCT), histology/immunohistochemistry, and quantitative immunofluorescent analysis were performed.ResultsMice receiving prostate cancer cells showed a significantly lower threshold for paw withdrawal responses induced by mechanical stimulation compared with their control counterparts. Zero maze and DigiGait analyses indicated reduced and aberrant movement associated emotional activity compared with sham control at 8‐weeks postinjection. The μCT analysis showed osteolytic and osteoblastic changes and a 50% reduction of the trabecular volumes within the prostate cancer group. Neurologically we demonstrated, increased calcitonin gene‐related peptide (CGRP) and neuronal p75NTR immune‐reactivities in both the projected terminals of the superficial dorsal horn and partial afferent neurons in DRG at L2 to L4 level in tumor‐bearing mice. Furthermore, our data show elevated nerve growth factor (NGF) and TrkA immunoreactivities in the same segment of the superficial dorsal horn that were, however, not colocalized with CGRP and p75NTR.ConclusionsThis study describes a novel immunocompetent model of CIBP and demonstrates the contribution of NGF and p75NTR to chronic pain in bone metastasis.
Pleural cryobiopsy is useful for comprehensive cancer genetic panel testing
Authors: Ishii Satoru , Watanabe Hiromu , Izumi Shinyu , Hojo Masayuki , Sugiyama Haruhito 
Published: May 2020

AbstractAn 83‐year‐old woman presented with dyspnoea. Her chest X‐ray showed a right‐sided pleural effusion. Flex‐rigid pleuroscopy was performed and showed a mass in the anterior portion. The mass was biopsied with conventional biopsy forceps, but the mass was solid, and sufficient tissues could not be obtained. Therefore, the mass was biopsied with a cryoprobe. The tip of the probe was attached to the mass, and it was cooled with carbon dioxide once for 5 sec and then for 7 sec in the same place. The tissue size obtained was 2 mm by conventional biopsy forceps, and 5 mm at 5 sec and 12 mm at 7 sec by cryobiopsy. Histological analysis of the conventional biopsy forceps specimen showed cancer cells in the glandular cavity, but it was not sufficient tissue for comprehensive cancer genetic panel (CGP) testing. The cryobiopsy specimens showed cancer cells and sufficient tissue for comprehensive CGP testing.
Prospective association between burnout and road traffic accidents in teachers
Authors: Salvagioni Denise Albieri Jodas , Mesas Arthur Eumann , Melanda Francine Nesello , dos Santos Hellen Geremias , González Alberto Durán , Girotto Edmarlon , de Andrade Selma Maffei 
Published: May 2020

AbstractWe investigated whether burnout (emotional exhaustion, depersonalization and reduced professional efficacy) is a risk factor for traffic accidents. A prospective cohort study was conducted with 509 school teachers. The teachers were interviewed in 2012–2013, and the Maslach Burnout Inventory was applied. After 2 years, the teachers were interviewed again to determine the occurrence of traffic accidents. Poisson regression models with robust variance were used to adjust the analyses. Relative risks (RRs) and 95% confidence intervals (95%CIs) were calculated to assess changes in c‐units in the scores of each Burnout dimension, with c equal to 1, 5 and 10 units. The incidence rate of road traffic accidents at follow‐up was 10.8%. After adjustments for sex, age, high workload/exposure to the traffic environment, daily consumption of alcoholic beverages and the other dimensions of burnout, depersonalization was a risk factor for traffic accidents. For each 1‐ and 10‐point increase in the depersonalization score, the risk increased by 8 and 119%, respectively. Emotional exhaustion was not associated with these accidents. Increases in the professional efficacy score increased the risk of traffic accidents. The association of depersonalization with future road traffic accidents reinforces the need for measures to improve teachers' work conditions to reduce burnout.
Engineering of Yolk/Core–Shell Structured Nanoreactors for Thermal Hydrogenations
Authors: Ye Run‐Ping , Wang Xinyao , Price Cameron‐Alexander Hurd , Liu Xiaoyan , Yang Qihua , Jaroniec Mietek , Liu Jian 
Published: May 2020

AbstractHeterogeneous hydrogenation reactions are of great importance for chemical upgrading and synthesis, but still face the challenges of controlling selectivity and long‐term stability. To improve the catalytic performance, many hydrogenation reactions utilize special yolk/core–shell nanoreactors (YCSNs) with unique architectures and advantageous properties. This work presents the developmental and technological challenges in the preparation of YCSNs that are potentially useful for hydrogenation reactions, and provides a summary of the properties of these materials. The work also addresses the scientific challenges in applications of these YCSNs in various gas and liquid‐phase hydrogenation reactions. The catalyst structures, catalytic performance, structure–performance relationships, reaction mechanisms, and unsolved problems are discussed too. Also, a brief outlook and opportunities for future research in this field are presented. This work on the advancements in YCSNs might inspire the creation of new materials with desired structures for achieving maximal hydrogenation performances.
Safety Considerations of Cancer Nanomedicine—A Key Step toward Translation
Authors: Liu Xiangsheng , Tang Ivanna , Wainberg Zev A. , Meng Huan 
Published: May 2020

AbstractThe rate of translational effort of nanomedicine requires strategic planning of nanosafety research in order to enable clinical trials and safe use of nanomedicine in patients. Herein, the experiences that have emerged based on the safety data of classic liposomal formulations in the space of oncology are discussed, along with a description of the new challenges that need to be addressed according to the rapid expansion of nanomedicine platform beyond liposomes. It is valuable to consider the combined use of predictive toxicological assessment supported by deliberate investigation on aspects such as absorption, distribution, metabolism, and excretion (ADME) and toxicokinetic profiles, the risk that may be introduced during nanomanufacture, unique nanomaterials properties, and nonobvious nanosafety endpoints, for example. These efforts will allow the generation of investigational new drug‐enabling safety data that can be incorporated into a rational infrastructure for regulatory decision‐making. Since the safety assessment relates to nanomaterials, the investigation should cover the important physicochemical properties of the material that may lead to hazards when the nanomedicine product is utilized in humans.
The Known and Unknown about the Environmental Safety of Nanomaterials in Commerce
Authors: Klaper Rebecca D. 
Published: May 2020

AbstractThe widespread nanomaterial use in commercial products has fed significant concern over environmental health and safety ramifications. Initially, little was known as to how these highly reactive particulates interacted with biological systems. Nanomaterials have introduced complexities not normally considered in traditional safety assessments of chemicals and therefore have generated uncertainty in the reliability of standard tests of safety. Advances in understanding the potential impacts of nanomaterials have occurred since their introduction, particularly for those used in the greatest quantities in commerce. The impact of characteristics such as charge, size, surface functionalization, chemical composition, and certain transformations on the potential effect of nanomaterials in the environment continue to move the field forward. However, generalizations of risk based on any one factor across nanomaterials is not possible. Estimating risk also remains difficult due to the introduction of materials that are new and more complex, minimal information on the specific molecular interactions of nanomaterials and organisms, and the need for more tools for measuring the dynamics of nanomaterial state and fate in complex matrices. Finally, exposure estimates are difficult due to difficulty of environmental monitoring which may be exacerbated by lack of information on nanomaterials in products and new uses in the marketplace.
Boosting Perovskite Photodetector Performance in NIR Using Plasmonic Bowtie Nanoantenna Arrays
Authors: Wang Bin , Zou Yuting , Lu Huanyu , Kong Wenchi , Singh Subhash C. , Zhao Chen , Yao Chaonan , Xing Jun , Zheng Xin , Yu Zhi , Tong Cunzhu , Xin Wei , Yu Weili , Zhao Bo , Guo Chunlei 
Published: May 2020

AbstractTriple‐cation mixed metal halide perovskites are important optoelectronic materials due to their high photon to electron conversion efficiency, low exciton binding energy, and good thermal stability. However, the perovskites have low photon to electron conversion efficiency in near‐infrared (NIR) due to their weak intrinsic absorption at longer wavelength, especially near the band edge and over the bandgap wavelength. A plasmonic functionalized perovskite photodetector (PD) is designed and fabricated in this study, in which the perovskite ((Cs0.06FA0.79MA0.15)Pb(I0.85Br0.15)3) active materials are spin‐coated on the surface of Au bowtie nanoantenna (BNA) arrays substrate. Under 785 nm laser illumination, near the bandedge of perovskite, the fabricated BNA‐based plasmonic PD exhibits ≈2962% enhancement in the photoresponse over the Si/SiO2‐based normal PD. Moreover, the detectivity of the plasmonic PD has a value of 1.5 × 1012 with external quantum efficiency as high as 188.8%, more than 30 times over the normal PD. The strong boosting in the plasmonic PD performance is attributed to the enhanced electric field around BNA arrays through the coupling of localized surface plasmon resonance. The demonstrated BNA‐perovskite design can also be used to enhance performance of other optoelectronic devices, and the concept can be extended to other spectral regions with different active materials.
A Humidity‐Induced Nontemplating Route toward Hierarchical Porous Carbon Fiber Hybrid for Efficient Bifunctional Oxygen Catalysis
Authors: Tian Lidong , Ji Dongxiao , Zhang Shan , He Xiaowei , Ramakrishna Seeram , Zhang Qiuyu 
Published: May 2020

AbstractHierarchical porous carbons (HPCs) are highly efficient supports for various remarkable catalytic systems. However, templates are commonly utilized for the preparation of HPCs, and the postremoval of the templates is uneconomical, time‐consuming, and harmful for the environment in most cases. Herein, a new humidity‐induced nontemplating strategy is developed to prepare 1D HPC with rich topologies and interconnected cavities for catalysis and energy storage applications. Porous electrospun nanofibers as calcination precursors are prepared via a humidity‐induced phase separation strategy. A nitrogen‐doped hierarchical porous carbon nanofiber (HPCNF), loading Co/Co3O4 hetero‐nanoparticles as exemplary nonprecious‐metal active substance (Co/Co3O4@HPCNF), is fabricated through the subsequent hydrothermal and pyrolysis treatment. The internal mesopore and cavity structure can be simply controlled by varying environment humidity during the electrospinning process. Benefiting from the unique topology, Co/Co3O4@HPCNF exhibits superior bifunctional activity when being used as electrocatalysts for oxygen reduction/evolution reactions. Moreover, the hybrid catalyst also demonstrates a remarkable power density of 102.5 mW cm−2, a high capacity of 748.5 mAh gZn−1, and long cycle life in Zinc–air batteries. The developed approach offers a facile template‐free route for the preparation of HPCNF hybrid and can be extended to other members of the large polymer family for catalyst design and energy storage applications.
Well‐Defined Single‐Atom Cobalt Catalyst for Electrocatalytic Flue Gas CO2 Reduction
Authors: Hou Pengfei , Song Wenli , Wang Xiuping , Hu Zhenpeng , Kang Peng 
Published: May 2020

AbstractSingle‐atom Co catalyst Co‐Tpy‐C with well‐defined sites is synthesized by pyrolysis of a Co terpyridine (Tpy) organometallic complex. The Co‐Tpy‐C catalyst exhibits excellent activity for the electrochemical CO2 reduction reaction in aqueous electrolyte, with CO faradaic efficiency (FE) of over 95% from −0.7 to −1.0 V (vs RHE). By comparison, catalysts without Co or Tpy ligand added do not show any high CO FE. When simulated flue gas with 15% of CO2 is used as the source of CO2, CO FE is kept at 90.1% at −0.5 V versus RHE. During gas phase flow electrolysis using simulated flue gas, the CO partial current density is further increased to 86.4 mA cm−2 and CO FE reached >90% at the cell voltage of 3.4 V. Experiments and density functional theory calculations indicate that uniform single‐atom Co–N4 sites mainly contribute to the high activity for CO2 reduction.
An empirical analysis of source code metrics and smart contract resource consumption
Authors: Ajienka Nemitari , Vangorp Peter , Capiluppi Andrea 
Published: May 2020

AbstractA smart contract (SC) is a programme stored in the Ethereum blockchain by a contract‐creation transaction. SC developers deploy an instance of the SC and attempt to execute it in exchange for a fee, paid in Ethereum coins (Ether). If the computation needed for their execution turns out to be larger than the effort proposed by the developer (i.e., the gasLimit), their client instantiation will not be completed successfully.In this paper, we examine SCs from 11 Ethereum blockchain‐oriented software projects hosted on GitHub.com, and we evaluate the resources needed for their deployment (i.e., the gasUsed). For each of these contracts, we also extract a suite of object‐oriented metrics, to evaluate their structural characteristics.Our results show a statistically significant correlation between some of the object‐oriented (OO) metrics and the resources consumed on the Ethereum blockchain network when deploying SCs. This result has a direct impact on how Ethereum developers engage with a SC: evaluating its structural characteristics, they will be able to produce a better estimate of the resources needed to deploy it. Other results show specific source code metrics to be prioritised based on application domains when the projects are clustered based on common themes.
Shear strength of straight concrete members without shear reinforcement. Reassessment of the effectiveness factors used in the crack sliding theory
Authors: Kragh‐Poulsen Jens‐Christian , Nielsen Mogens Peter , Goltermann Per 
Published: May 2020

AbstractRecently it has been shown that the effectiveness factors used in the crack sliding theory are not well suited for predicting the shear strength of beams with large depths. Therefore, formulas for the effective concrete compression strength and the effective tensile strength have been reformulated by changing the size effect factor and adding a term to take into account the maximum aggregate size. Also, the theory has been improved to predict better the shear strength of deep beams and beams with short shear span. This is done by including the effect of the transverse stress. Experimental data for slender beams and deep/short beams with rectangular cross sections have been used for validation of the crack sliding theory. The outcome of this analysis is that the new theory in general are substantially better for predicting shear strength than the old one.
Exploring and managing the complexity of large infrastructure projects with network theory and model‐based systems engineering—The example of radioactive waste disposal
Authors: Poller Andreas 
Published: May 2020

AbstractGiven that model‐based systems engineering (MBSE) captures the structure and behavior of an engineered system in an overarching system model, MBSE appears to be a promising approach to managing large infrastructure projects (LIPs). However, it is not apparent how to most appropriately organize the associated system model—and hence the infrastructure project itself. Furthermore, MBSE may today not be readily accepted by the civil engineering industry. In this research, a hypothetical project for the geological disposal of radioactive waste is taken as an example of an LIP and initial system models of the entire disposal project are created. Furthermore, a network representation of the project is generated and examined with network theory. Based on the results, different project organizations are synthesized and evaluated. Eventually, the initial system models are updated to accommodate the most suitable organization according to the network analysis results. In addition, the perception of, and attitude toward MBSE is assessed by means of a cross‐sectional survey in a civil engineering company. The generation of system models of LIPs is found to be straightforward. Network theory is able to unveil the complex structure of LIPs in order to identify the most suitable way to organize them and the associated system models. The survey results suggest that MBSE may find broad acceptance in the civil engineering industry.
Influence of Drying Rate on Hot Air Drying Processing of Fresh Foods Using Pulsed Electric Field
Authors: Yamada Takahiro , Yamakage Kouya , Takahashi Katsuyuki , Takaki Koichi , Orikasa Takahiro , Kamagata Junichi , Aoki Hitoshi 
Published: May 2020

Influence of pulsed electric field (PEF) on the drying rate of foods during the hot air drying process is investigated. Nine kinds of fruits and vegetables and two kinds of marine products are used as the samples, and changes in the weight of these samples during the process are evaluated. PEF is applied to the samples using parallel plate electrodes. The applied voltage ranges from 0.4 to 3 kV, and the input energy of the sample ranges from 1.5 to 115.5 J/g. The samples are dehydrated using a hot air dryer after the PEF treatment. The drying rate of leafy vegetables, apples, and wakame seaweed is accelerated by PEF. The results show that the moisture permeability of membrane can be improved by destroying the cell membrane by PEF. On the other hand, there is no effect on root vegetables because their hard tissues are hard to destroy. © 2020 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.