bluuebunny/crossref_metadata_2025_split huggingface dataset:
One electron less or one proton more: how do they differ?
Authors: van Huizen Nick A. , Holmes John L. , Burgers Peter C. 
Published: November 2019

AbstractFrom the NIST website and the literature, we have collected the Ionisation Energies (IE) of 3,052 and the Proton Affinities (PA) of 1,670 compounds. For 614 of these, both the IE and PA are known; this enables a study of the relationships between these quantities for a wide variety of molecules. From the IE and PA values, the hydrogen atom affinities (HA) of molecular ions M•+ may also be assessed. The PA may be equated to the heterolytic bond energy of [MH]+ and HA to the homolytic bond energy. Plots of PA versus IE for these substances show (in agreement with earlier studies) that, for many families of molecules, the slope of the ensuing line is less negative than −1, i.e. changes in the PA are significantly less than the concomitant opposite changes in IE. At one extreme (high PA, low IE) are the metals, their oxides and hydroxides, which show a slope of close to −1, at the other extreme (low PA, high IE) are the hydrogen halides, methyl halides and noble gases, which show a slope of ca. −0.3; other molecular categories show intermediate behaviour. One consequence of a slope less negative than −1 is that the changes in ionic enthalpies of the protonated species more closely follow the changes in the enthalpies of the neutral molecules compared with changes in the ion enthalpies of the corresponding radical cations. This is consistent with findings from ab initio calculations from the literature that the incoming proton, once attached to the molecule, may retain a significant amount of its charge. These collected data allow a comparison of the thermodynamic stability of protonated molecules in terms of their homolytic or heterolytic bond cleavages. Protonated nitriles are particularly stable by virtue of the very large hydrogen atom affinities of their radical cations.
Improved MALDI‐MS method for the highly sensitive and reproducible detection of biomarker peaks for the proteotyping of Salmonella serotypes
Authors: Fukuyama Yuko , Ojima‐Kato Teruyo , Nagai Satomi , Shima Keisuke , Funatsu Shinji , Yamada Yoshihiro , Tamura Hiroto , Nomura Shizuo , Ogata Koretsugu , Sekiya Sadanori , Iwamoto Shinichi , Tanaka Koichi 
Published: November 2019

AbstractThe rapid identification and classification of pathogenic microorganisms, including Salmonella enterica, is important for the surveillance and prevention of foodborne diseases. Matrix‐assisted laser desorption\ionization time‐of‐flight mass spectrometry (MALDI‐TOFMS) has been shown to be an effective tool for the rapid identification of microorganisms. In a previous report, a mass database consisting of 12 biomarker proteins, S8, L15, L17, L21, L25, S7, superoxide dismutase (SodA), peptidylprolyl cis‐trans isomerase C, Gns, YibT, YaiA, and YciF, was introduced for the serotyping of S. enterica via MALDI‐MS (Applied Microbiology and Biotechnology, 2017, 101, 8557‐8569). However, the reproducibility of peak detection of biomarkers such as SodA at m\z 23 000 was poor. We report here an optimized MALDI‐MS method for detecting these biomarkers with high sensitivity and reproducibility. The issue was solved by controlling the bacterial concentration at 1 × 10 to 1 × 102 MFU (3 × 106 to 3 × 107 CFU\μL, as calculated from the MFU), using the colony suspension supernatant obtained by centrifugation, and using matrix additives such as methylenediphosphonic acid and N‐decyl‐β‐D‐maltopyranoside. We propose that the method including the above steps is one of the best for detecting biomarkers with high sensitivity and reproducibility.
The effect of being diagnosed with human papillomavirus infection on women's sexual lives
Authors: Alay Ismail , Kaya Cihan , Karaca Ibrahim , Yildiz Sukru , Baghaki Sema , Cengiz Huseyin , Ekin Murat , Yasar Levent 
Published: November 2019

AbstractProblemObjective studies that use validated questionnaires are needed to evaluate the changes in the sexual functions of women diagnosed with human papillomavirus (HPV) infection.Method of StudyThe study comprised 80 sexually active women diagnosed with a high‐risk HPV infection. These patients were divided into four groups as follows: group 1, HPV 16/18‐positive and normal cytology; group 2, HPV 16/18‐positive and abnormal cytology; group 3, non‐16/18 HPV‐positive and abnormal cytology; and group 4, non‐16/18 HPV‐positive and normal cytology. The sexual functions and anxiety statuses of the patients were assessed via the Female Sexual Function Index (FSFI) and Beck anxiety inventory (BAI) questionnaires, respectively, at their first clinical visits and then 2 months later.ResultsThere was no statistically significant difference among the study groups in terms of the overall FSFI and domain sub‐scores at either of the visits. Women who tested positive for the high‐risk HPV 16/18 strains had a significantly less sexual desire after being informed about the test results. Those with HPV 16/18 and normal cytology had significantly higher anxiety levels at their second than first visits. The BAI scores of the HPV 16/18‐positive women (normal or abnormal cytology) at the second visit were significantly higher than those of non‐16/18 HPV‐positive women with normal cytology. There was no significant difference between the patients with normal and abnormal cytology results regarding the difference of BAI, overall and domain FSFI sub‐scores at the first and second visits. The desire and lubrication domain scores of the HPV 16/18‐positive patients significantly decreased after the first visit compared with those of the non‐16/18 HPV‐positive patients.ConclusionHPV 16/18 positivity decreases women's total FSFI and desire domain sub‐scores.
Analysis of genome sequence and trehalose lipid production peculiarities of the thermotolerant Gordonia strain
Authors: Delegan Yanina , Sargsyan Armen , Hovhannisyan Nelli , Babayan Bella , Petrikov Kirill , Vainstein Mikhail 
Published: November 2019

AbstractGordoniae are one of the most promising hydrocarbon‐oxidizing actinobacteria. Here we present the genome sequence analysis of thermotolerant strain Gordonia sp. 1D isolated from oil‐refinery soil. It is capable of alkane consumption and biosurfactant production at temperatures of up to 50°C. Gordonia sp. 1D demonstrates maximum biosurfactant production when grown on hexadecane, and at 40°C it was slightly higher than at 27°C: 35 and 39 mN/m, respectively. For the first time, it was experimentally confirmed that the carbohydrate component of extracellular biosurfactants produced by strain 1D is trehalose. In addition, genes for the production of trehalose lipid biosurfactants were identified. The genetic determinants for two different pathways for trehalose synthesis were found. The strain carries genes otsA and otsB involved in de novo trehalose biosynthesis. Moreover, the genes treY and treZ responsible for trehalose biosynthesis from maltooligosaccharides and starch or glycogen were identified.
Hiding Without Cover? Defining Elk Security in a Beetle‐Killed Forest
Authors: Lowrey Blake , Devoe Jesse , Proffitt Kelly M. , Garrott Robert A. 
Published: November 2019

ABSTRACTRecent mountain pine beetle (Dendroctonus ponderosae; pine beetle) outbreaks in the western United States have affected nearly 18 million ha of pine (Pinusspp.) forest and are unprecedented in spatial extent, severity, and duration, yet little is known about wildlife responses to large‐scale insect outbreaks. Elk (Cervus canadensis) are important wildlife whose dominant management paradigm on public lands has focused on providing security habitat to increase survival during hunting seasons and to maintain elk presence on public lands to promote hunter opportunity. To assess the effect of pine beetles and associated changes in forest structure on elk security, we used a time series to characterize canopy cover pre‐ and post‐pine beetle outbreak, characterized relative canopy cover among the dominant forest types in the study area post‐pine beetle outbreak, and used global positioning system location data from male and female elk to define habitat relationships and security during the archery and rifle hunting seasons. Our study area was within the Elkhorn Mountains of southwest Montana, USA, 2015–2017, which experienced 80% mortality of lodgepole pine (Pinus contorta) forests during a pine beetle outbreak that peaked in 2008. We observed an 8.5% reduction in canopy cover within pine beetle‐infested lodgepole pine forests, yet canopy cover remained relatively high among other forest types post‐outbreak. The top‐ranked habitat security models contained positive relationships with canopy cover, distance to motorized routes, terrain ruggedness, and slope with few notable differences among sexes and seasons. Across sexes and seasons, 75% and 50% of elk use was within areas with average canopy cover values ≥31 ± 6.65 (SD)% and ≥53 ± 5.7% that were an average of ≥2,072 ± 187.93 m and ≥3,496 ± 157.32 m from a motorized route, respectively. Therefore, we recommend fall elk security be defined as areas that meet these criteria for minimum canopy cover and distance from motorized routes in the Elkhorn Mountains and in other landscapes with similar forest characteristics and hunting pressures. Although we observed expected reductions in canopy cover within pine beetle‐infested forests, defoliation alone did not appear to negatively affect elk security or reduce canopy cover below our management recommendations. Nonetheless, because of the prevalence of standing dead trees in our study area, we recommend future work that investigates the relationships with pine beetle‐infested areas post‐blowdown because changes in ground structure and costs of locomotion may affect elk habitat and security. © 2019 The Authors.Journal of Wildlife Managementpublished by Wiley Periodicals, Inc. on behalf of The Wildlife Society.
Recombinant Spider Silk–Silica Hybrid Scaffolds with Drug‐Releasing Properties for Tissue Engineering Applications
Authors: Kumari Sushma , Bargel Hendrik , Scheibel Thomas 
Published: November 2019

AbstractFabricating biomaterials with antimicrobial activity to prevent the growth of detrimental microorganisms is of great scientific and practical interest. Here, composite materials comprising recombinant spider silk proteins and mesoporous silica nanoparticles (MSN) loaded with selected antibiotics and antimycotics are fabricated into films and hydrogels. The derived composite materials exhibit excellent antimicrobial properties with sustained release of antibiotics over the course of 15 days. Furthermore, antibiotics/antimycotics inclusion does not impair the cytocompatibility of the composite materials, all of which promote fibroblast cell adhesion and proliferation. Finally, processing of spider silk–MSN composite hydrogels using 3D printing is shown to enable the fabrication of patient‐specific antimicrobial implants to prevent infection in the near future.
Adaptive multi‐index collocation for uncertainty quantification and sensitivity analysis
Authors: Jakeman John D. , Eldred Michael S. , Geraci Gianluca , Gorodetsky Alex 
Published: November 2019

SummaryIn this paper, we present an adaptive algorithm to construct response surface approximations of high‐fidelity models using a hierarchy of lower fidelity models. Our algorithm is based on multi‐index stochastic collocation and automatically balances physical discretization error and response surface error to construct an approximation of model outputs. This surrogate can be used for uncertainty quantification (UQ) and sensitivity analysis (SA) at a fraction of the cost of a purely high‐fidelity approach. We demonstrate the effectiveness of our algorithm on a canonical test problem from the UQ literature and a complex multiphysics model that simulates the performance of an integrated nozzle for an unmanned aerospace vehicle. We find that, when the input‐output response is sufficiently smooth, our algorithm produces approximations that can be over two orders of magnitude more accurate than single fidelity approximations for a fixed computational budget.
Investigating the stability of dengue virus envelope protein dimer using well‐tempered metadynamics simulations
Authors: Zhang Haiping , Lim Eric J. K. , Lu Lanyuan 
Published: November 2019

AbstractWe explored the stability of the dengue virus envelope (E) protein dimer since it is widely assumed that the E protein dimer is stabilized by drug ligands or antibodies in an acidic environment, neutralizing the virus's ability to fuse with human cells. During this process, a large conformational change of the E protein dimer is required. We performed Molecular Dynamics simulations to mimic the conformational change and stability of the dimer in neutral and acidic conditions with the well‐tempered metadynamics method. Furthermore, as a few neutralizing antibodies discovered from dengue patients were reported, we used the same simulation method to examine the influence of a selected antibody on the dimer stability in both neutral and acidic conditions. We also investigated the antibody's influence on a point‐mutated E protein that had been reported to interrupt the protein‐antibody interaction and result in more than 95% loss of the antibody's binding ability. Our simulation results are highly consistent with the experimental conclusion that binding of the antibody to the E protein dimer neutralizes the virus, especially in a low pH condition, while the mutation of W101A or N153A significantly reduces the antibody's ability in stabilizing the E protein dimer. We demonstrate that well‐tempered metadynamics can be used to accurately explore the antibody's interaction on large protein complexes such as the E protein dimer, and the computational approach in this work is promising in future antibody development.
Antifeedant, contact toxicity and oviposition deterrent effects of phyllostine acetate and phyllostine isolated from the endophytic fungus Diaporthe miriciae against Plutella xylostella larvae
Authors: Ratnaweera Pamoda B , M Jayasundara J M Nisansala , Herath H H M Suseema D , Williams David E , Rajapaksha Sasini U , Nishantha K M D W Prabath , de Silva E Dilip , Andersen Raymond J 
Published: November 2019

AbstractBACKGROUNDLarvae of the diamond back moth (DBM), Plutella xylostella, are destructive cabbage pests causing economic losses worldwide. Continuous application of synthetic pesticides to control this pest has resulted in environmental pollution and resistant pest strains. Thus, there is a crucial need to seek natural alternatives with minimal detrimental effects. This study was designed to investigate the antifeedant activities of endophytic fungi of Cyperus iria and to determine the antifeedant, contact toxicity and oviposition deterrent activities of phyllostine acetate and phyllostine of the endophytic Diaporthe miriciae fungus.RESULTSTwo cyclohexeneoxidediones, phyllostine acetate (1) and phyllostine (2), isolated from an ethyl acetate extract of D. miriciae exhibited strong antifeedant, contact toxicity, and oviposition deterrent activities against P. xylostella. Phyllostine acetate (1) and phyllostine (2) showed feeding deterrent indexes of 100% at 50 μg cm−2 in the no‐choice leaf disc assay and 50% feeding deterrence (DC50) values of 9 and 4.7 μg cm−2 respectively. The median lethal concentration (LC50) values of phyllostine acetate (1) and phyllostine (2) were 4.38 and 6.54 μg/larva in the contact toxicity assay. The oviposition deterrent indexes of the two compounds were 100% for phyllostine acetate (1) and 28.6% for phyllostine (2) at 50 μg cm−2.CONCLUSIONPhyllostine acetate and phyllostine show promise as compounds for the control of P. xylostella. This study encourages further investigation of endophytic fungi of the family Cyperacea, for the development of natural pest control agents in agriculture. © 2019 Society of Chemical Industry
High‐Purity Triggered Single‐Photon Emission from Symmetric Single InAs/InP Quantum Dots around the Telecom C‐Band Window
Authors: Musiał Anna , Holewa Paweł , Wyborski Paweł , Syperek Marcin , Kors Andrei , Reithmaier Johann Peter , Sęk Grzegorz , Benyoucef Mohamed 
Published: November 2019

AbstractThe authors demonstrate pure triggered single‐photon emission from quantum dots (QDs) around the telecommunication C‐band window, with characteristics preserved under non‐resonant excitation at saturation, that is, the highest possible, lifetime‐limited emission rates. The direct measurement of emission dynamics reveals photoluminescence decay times in the range of (1.7–1.8) ns corresponding to maximal photon generation rates exceeding 0.5 GHz. The measurements of the second‐order correlation function exhibit, for the best case, a lack of coincidences at zero time delay—no multiple photon events are registered within the experimental accuracy. This is achieved by exploiting a new class of low‐density and in‐plane symmetric InAs/InP QDs grown by molecular beam epitaxy on a distributed Bragg reflector, perfectly suitable for non‐classical light generation for quantum optics experiments and quantum‐secured fiber‐based optical communication schemes.
Development and applications of rescue robots for explosion accidents in coal mines
Authors: Li Yutan , Li Menggang , Zhu Hua , Hu Eryi , Tang Chaoquan , Li Peng , You Shaoze 
Published: November 2019

AbstractIt is essential to provide disaster relief assistance after coal mine explosions. Often, it is life‐threatening for rescuers to enter an accident scene blindly; therefore, a coal mine rescue robot (CMRR) has been developed. However, the application of the CMRR has not proven satisfactory after decades of development. To solve this problem, we summarize the reasons for this disappointing state and address the technical challenges of the CMRR. Based on these reasons and the associated technical challenges, two generations of tracked robots have been developed. The China University of Mining Technology‐V (CUMT‐V) (A) robot was first developed and its walking system, body support system, communication system, environmental awareness system, and control system are described in detail. A performance test was performed on the CUMT‐V (A) robot and some problems were encountered. To address these problems, we designed the CUMT‐V (B) robot. The field test was conducted in Shanxi province, China, in August 2016. The application results show that the robot has good adaptability to complex terrain and high reliability in terms of environmental awareness and data transmission. In conclusion, the robot is nearing practical applications.
One‐Pot Synthesis of Highly Fluorescent Poly(methacrylic acid)‐Capped Silver Nanoclusters for the Specific Detection of Iron(II)
Authors: Cao Xueling , Bai Yageng , Li Fei , Liu Faxian , Lu Shulai 
Published: November 2019

AbstractThis work presented an easy synthesis method for water‐soluble, green and fluorescent silver nanoclusters with poly (methacrylic acid) (AgNCs@PMAA) and preliminarily explored their ability to detect Fe2+ by measuring their fluorescence quenching. The acquired AgNCs@PMAA showed steady, selective, and highly sensitive detection of Fe2+. The Fe2+ detection limit for AgNCs@PMAA was 3 μM, and a linear relationship was observed at 5–150 μΜ ion concentration. AgNCs@PMAA had no biological toxicity and could be used for in vivo imaging and detection of iron ions. This fluorescence detection method based on novel nanomaterials exhibits future application in biolabeling, biosensing, and other purposes.
Do firms use corporate social responsibility to insure against stock price risk? Evidence from a natural experiment
Authors: Jia Yonghong , Gao Xinghua , Julian Scott 
Published: November 2019

AbstractResearch SummaryTo examine whether firms use corporate social responsibility (CSR) to insure against stock price risk, we exploit an exogenous shock in stock price risk associated with Regulation SHO whereby the SEC randomly selected pilot firms for which the uptick restriction on short sales no longer applied. A difference‐in‐differences test reveals that pilot firms increased CSR more than nonpilot firms and that in particular they reduced CSR concerns and increased CSR that impacts stakeholders involved in direct resource exchange. We also find that pilot firm CSR reduced short positions against them and that the effect is stronger for CSR concerns and CSR that impacts directly connected stakeholders. Overall, we document a causal effect of stock price risk on managerial incentives to invest in CSR for risk management.Managerial SummaryCorporate social responsibility has many purported benefits, one of which is that it can insure against the adverse stock price effects of negative events. But do managers purposefully use CSR in this way and do such investments provide intended insurance‐like benefits? By taking advantage of a natural experiment where a randomly selected set of pilot firms were exposed to elevated short‐sale risk unleashed by the SEC regulation, we find evidence that they do. Once the SEC initiated the regulatory change, firms that faced greater risk increased CSR more than firms that did not. In addition, increased CSR lowered short interests in pilot firms' stocks and this reduction is attributable to the insurance‐like effect of CSR rather than simply prevention of adverse events.A video abstract is available at https://youtu.be/zajeSbhlwhc
Sequential MR Image‐Guided Local Immune Checkpoint Blockade Cancer Immunotherapy Using Ferumoxytol Capped Ultralarge Pore Mesoporous Silica Carriers after Standard Chemotherapy
Authors: Choi Bongseo , Jung Huijin , Yu Bo , Choi Hyunjun , Lee Joonseok , Kim Dong‐Hyun 
Published: November 2019

AbstractHerein, ferumoxytol (Fer) capped antiprogrammed cell death‐ligand 1 (PD‐L1) antibodies (aPD‐L1) loaded ultralarge pore mesoporous silica nanoparticles (Fer‐ICB‐UPMSNPs) are formulated for a sequential magnetic resonance (MR) image guided local immunotherapy after cabazitaxel (Cbz) chemotherapy for the treatment of prostate cancer (PC). The highly porous framework of UPMSNP provides a large capacity for aPD‐L1. Fer capping of the pores extends the period of aPD‐L1 release and provides MR visibility of the aPD‐L1 loaded UPMSNP. As‐chosen Cbz chemotherapy prior to the local immunotherapy induces strong immunogenic cell death, dendritic cell maturation, and upregulation of PD‐L1 of tumor cells. Finally, tumor growth inhibition of sequential MR image‐guided local delivery of Fer‐ICB‐UPMSNPs and a tumor specific adoptive immune reaction are demonstrated in the pretreated Tramp C1 PC mouse model with Cbz chemotherapy. The tumor suppression is superior to those obtained with systemic ICB treatment after Cbz, only Fer‐ICB‐UPMSNP or only Cbz. As a proof‐of concept, MR image‐guided local ICB immunotherapy using Fer‐ICB‐UPMSNPs after chemotherapy suggests a new perspective of translational local immunotherapy for patients who are treated with standard chemotherapies.
Ermüdungsnachweis für Kranbahnträger nach Eurocode 3
Authors: Euler Mathias , Kuhlmann Ulrike 
Published: November 2019

AbstractIm Gegensatz zu den üblichen Stahltragwerken des Hochbaus werden Kranbahnen nicht vorwiegend ruhend beansprucht (Ermüdungsgefahr). Ein wesentlicher Bestandteil dieser Tragwerke sind die Kranbahnträger, die Gegenstand dieses Beitrags sind und deren Ermüdungsfestigkeit i. d. R. nachzuweisen ist. Dieser Nachweis setzt besondere kranbahnspezifische Bemessungsregeln voraus, die über die allgemeinen Regeln des Stahlhochbaus in DIN EN 1993‐1‐1 hinausgehen und von DIN EN 1993‐6 zusammengefasst werden. Ein Überblick über die Grundlagen der Nachweisführung, die Ermüdungseinwirkungen, die Ermüdungsbeanspruchungen und die Ermüdungsnachweise wird gegeben, bevor abschließend einige neue Erkenntnisse zum Kerbfallkatalog im Hinblick auf kranbahnspezifische Konstruktionsdetails vorgestellt werden.