bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inverse ZrO2/Cu as a highly efficient methanol synthesis catalyst from CO2 hydrogenation
Authors: Wu Congyi , Lin Lili , Liu Jinjia , Zhang Jingpeng , Zhang Feng , Zhou Tong , Rui Ning , Yao Siyu , Deng Yuchen , Yang Feng , Xu Wenqian , Luo Jun , Zhao Yue , Yan Binhang , Wen Xiao-Dong , Rodriguez José A. , Ma Ding 
Published: November 2020

AbstractEnhancing the intrinsic activity and space time yield of Cu based heterogeneous methanol synthesis catalysts through CO2 hydrogenation is one of the major topics in CO2 conversion into value-added liquid fuels and chemicals. Here we report inverse ZrO2/Cu catalysts with a tunable Zr/Cu ratio have been prepared via an oxalate co-precipitation method, showing excellent performance for CO2 hydrogenation to methanol. Under optimal condition, the catalyst composed by 10% of ZrO2 supported over 90% of Cu exhibits the highest mass-specific methanol formation rate of 524 gMeOHkgcat−1h−1 at 220 °C, 3.3 times higher than the activity of traditional Cu/ZrO2 catalysts (159 gMeOHkgcat−1h−1). In situ XRD-PDF, XAFS and AP-XPS structural studies reveal that the inverse ZrO2/Cu catalysts are composed of islands of partially reduced 1–2 nm amorphous ZrO2 supported over metallic Cu particles. The ZrO2 islands are highly active for the CO2 activation. Meanwhile, an intermediate of formate adsorbed on the Cu at 1350 cm−1 is discovered by the in situ DRIFTS. This formate intermediate exhibits fast hydrogenation conversion to methoxy. The activation of CO2 and hydrogenation of all the surface oxygenate intermediates are significantly accelerated over the inverse ZrO2/Cu configuration, accounting for the excellent methanol formation activity observed.
Observation of plaquette fluctuations in the spin-1/2 honeycomb lattice
Authors: Wessler Christian , Roessli Bertrand , Krämer Karl W. , Delley Bernard , Waldmann Oliver , Keller Lukas , Cheptiakov Denis , Braun Hans B. , Kenzelmann Michel 
Published: November 2020

AbstractQuantum spin liquids are materials that feature quantum entangled spin correlations and avoid magnetic long-range order atT = 0 K. Particularly interesting are two-dimensional honeycomb spin lattices where a plethora of exotic quantum spin liquids have been predicted. Here, we experimentally study an effectiveS = 1/2 Heisenberg honeycomb lattice with competing nearest and next-nearest-neighbour interactions. We demonstrate that YbBr3avoids order down to at leastT = 100 mK and features a dynamic spin–spin correlation function with broad continuum scattering typical of quantum spin liquids near a quantum critical point. The continuum in the spin spectrum is consistent with plaquette type fluctuations predicted by theory. Our study is the experimental demonstration that strong quantum fluctuations can exist on the honeycomb lattice even in the absence of Kitaev-type interactions, and opens a new perspective on quantum spin liquids.
Self-perceived cognitive impairments in psychosis ultra-high risk individuals: associations with objective cognitive deficits and functioning
Authors: Glenthøj Louise Birkedal , Mariegaard Lise , Kristensen Tina Dam , Wenneberg Christina , Medalia Alice , Nordentoft Merete 
Published: November 2020

AbstractThere is a scarcity of evidence on subjectively reported cognitive difficulties in individuals at ultra-high risk (UHR) for psychosis and whether these self-perceived cognitive difficulties may relate to objective cognitive deficits, psychopathology, functioning, and adherence to cognitive remediation (CR). Secondary, exploratory analyses to a randomized, clinical trial were conducted with 52 UHR individuals receiving a CR intervention. Participants completed the Measure of Insight into Cognition—Self Report (MIC-SR), a measure of daily life cognitive difficulties within the domains of attention, memory, and executive functions along with measures of neuropsychological test performance, psychopathology, functioning, and quality of life. Our study found participants with and without objectively defined cognitive deficits reported self-perceived cognitive deficits of the same magnitude. No significant relationship was revealed between self-perceived and objectively measured neurocognitive deficits. Self-perceived cognitive deficits associated with attenuated psychotic symptoms, overall functioning, and quality of life, but not with adherence to, or neurocognitive benefits from, a CR intervention. Our findings indicate that UHR individuals may overestimate their cognitive difficulties, and higher levels of self-perceived cognitive deficits may relate to poor functioning. If replicated, this warrants a need for both subjective and objective cognitive assessment in at-risk populations as this may guide psychoeducational approaches and pro-functional interventions. Self-perceived cognitive impairments do not seem to directly influence CR adherence and outcome in UHR states. Further studies are needed on potential mediator between self-perceived cognitive deficits and functioning and quality of life.
Lipid content and stable isotopes of zooplankton during five winters around the northern Antarctic Peninsula
Authors: Walsh Jennifer , Reiss Christian 
Published: November 2020

AbstractThe Southern Ocean zooplankton community is diverse, yet most species are understudied, especially with respect to their overwinter feeding ecologies. Here we present body condition and trophic biomarker data (lipid content and stable isotopes of carbon and nitrogen) from 19 zooplankton species collected over five consecutive winters (August and September 2012–2016) around the northern Antarctic Peninsula. We report environmental data (percent sea-ice cover, sea-ice type, water temperature, salinity, and integrated chl-a) as well as species abundance data at each sampling location to provide additional context for interpreting the lipid and stable isotope data. For most species, these are the first winter measurements or time series of body condition, trophic position, and abundance in relation to environmental variables. These data are critical for evaluating changes in ecosystem structure and predator-prey relationships in a region of Antarctica that is warming faster than most other areas on Earth as a result of climate change.
An annotated dataset of bioacoustic sensing and features of mosquitoes
Authors: Vasconcelos Dinarte , Nunes Nuno Jardim , Gomes João 
Published: November 2020

AbstractAs vectors of malaria, dengue, zika, and yellow fever, mosquitoes are considered one of the more severe worldwide health hazards. Widespread surveillance of mosquitoes is essential for understanding their complex ecology and behaviour, and also for predicting and formulating effective control strategies against mosquito-borne diseases. One technique involves using bioacoustics to automatically identify different species from their wing-beat sounds during flight. In this dataset, we collect sounds of three species of mosquitoes:Aedes Aegypti,Culex Quinquefasciatus&Pipiens, andCuliseta. These species were collected and reproduced in the laboratory of the Natural History Museum of Funchal, in Portugal, by entomologists trained to recognize and classify mosquitoes. For collecting the samples, we used a microcontroller and a mobile phone. The dataset presents audio samples collected with different sampling rates, where 34 audio features characterize each sound file, making it is possible to observe how mosquito populations vary heterogeneously. This dataset provides the basis for feature extraction and classification of flapping-wing flight sounds that could be used to identify different species.
SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules
Authors: Patel Hitesh , Ihlenfeldt Wolf-Dietrich , Judson Philip N. , Moroz Yurii S. , Pevzner Yuri , Peach Megan L. , Delannée Victorien , Tarasova Nadya I. , Nicklaus Marc C. 
Published: November 2020

AbstractWe have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI). They have been created by a set of transforms based on an adaptation and extension of the CHMTRN/PATRAN programming languages describing chemical synthesis expert knowledge, which originally stem from the LHASA project. The chemoinformatics toolkit CACTVS was used to apply a total of 53 transforms to about 150,000 readily available building blocks (enamine.net). Only single-step, two-reactant syntheses were calculated for this database even though the technology can execute multi-step reactions. The possibility to incorporate scoring systems in CHMTRN allowed us to subdivide the database of 1.75 billion compounds in sets according to their predicted synthesizability, with the most-synthesizable class comprising 1.09 billion synthetic products. Properties calculated for all SAVI products show that the database should be well-suited for drug discovery. It is being made publicly available for free download from https://doi.org/10.35115/37n9-5738.
Framework, method and case study for the calculation of end of life for HWL and parameter sensitivity analysis
Authors: Xiang Rui , Liu Jing-Cai , Xu Ya , Liu Yu-Qiang , Nai Chang-xin , Dong Lu , Huang Qi-Fei 
Published: November 2020

AbstractMass construction and operation of hazardous waste landfill infrastructure has greatly improved China’s waste management and environmental safety. However, the deterioration of engineering materials and the failure of landfill may lead to the release of untreated leachate rich in persistent toxic pollutants to the soil and shallow groundwater. Accordingly, we develop the framework and process model to predict landfill life by coupling the landfill hydrological performance model and material degradation model. We found that the decrease rate of the concentration of persistent pollutants in leachate was significantly slower than the deterioration rate of the landfill engineering materials. As a result, when the materials failed, the leachate with high concentrations of persistent pollutants continued to leak, resulting in the pollutants concentration in surrounding groundwater exceeding the acceptable concentration at around 385 a, which is the average life of a landfill. Further simulation indicated that hydrogeological conditions and the initial concentration of leachate will affect landfill lifespan. The correlation coefficients of concentration, the thickness of vadose zone and the thickness of aquifer are − 0.79, 0.99 and 0.72 respectively, so the thickness of vadose zone having the greatest impact on the life of a landfill. The results presented herein indicate hazardous waste landfill infrastructure reinvestment should be directed toward long-term monitoring and maintenance, waste second-disposal, and site restoration.
The relative contribution of individual quality and changing climate as drivers of lifetime reproductive success in a short-lived avian species
Authors: Berzins Lisha L. , Dawson Russell D. , Morrissey Christy A. , Clark Robert G. 
Published: November 2020

AbstractAnimal populations are influenced strongly by fluctuations in weather conditions, but long-term fitness costs are rarely explored, especially in short-lived avian species. We evaluated the relative contributions of individual characteristics and environmental conditions to lifetime reproductive success (LRS) of female tree swallows (Tachycineta bicolor) from two populations breeding in contrasting environments and geographies, Saskatchewan and British Columbia, Canada. Female swallows achieved higher LRS by breeding early in the season and producing more fledglings. Other measures of female quality had virtually no influence on LRS. Genetic factors did not predict LRS, as there was no correlation between life-history components for sister pairs nor between mothers and their daughters. Instead, climate variability—indexed by spring pond density (i.e., abundance of wetland basins holding water) during years when females bred—had strong positive effects on female LRS in more arid Saskatchewan but only weak positive effects of moisture conditions were detected in wetter British Columbia. Overall, several life history trait correlates of LRS were similar between populations, but local environmental factors experienced by individuals while breeding produced large differences in LRS. Consequently, variable and extreme environmental conditions associated with changing climate are predicted to influence individual fitness of distinct populations within a species’ range.
Multiple interacting environmental drivers reduce the impact of solar UVR on primary productivity in Mediterranean lakes
Authors: Cabrerizo Marco J. , Helbling E. Walter , Villafañe Virginia E. , Medina-Sánchez Juan M. , Carrillo Presentación 
Published: November 2020

AbstractIncreases in rainfall, continental runoff, and atmospheric dust deposition are reducing water transparency in lakes worldwide (i.e. higher attenuation Kd). Also, ongoing alterations in multiple environmental drivers due to global change are unpredictably impacting phytoplankton responses and lakes functioning. Although both issues demand urgent research, it remains untested how the interplay between Kd and multiple interacting drivers affect primary productivity (Pc). We manipulated four environmental drivers in an in situ experiment—quality of solar ultraviolet radiation (UVR), nutrient concentration (Nut), CO2 partial pressure (CO2), and light regime (Mix)—to determine how the Pc of nine freshwater phytoplankton communities, found along a Kd gradient in Mediterranean ecosystems, changed as the number of interacting drivers increased. Our findings indicated that UVR was the dominant driver, its effect being between 3–60 times stronger, on average, than that of any other driver tested. Also, UVR had the largest difference in driver magnitude of all the treatments tested. A future UVR × CO2 × Mix × Nut scenario exerted a more inhibitory effect on Pc as the water column became darker. However, the magnitude of this synergistic effect was 40–60% lower than that exerted by double and triple interactions and by UVR acting independently. These results illustrate that although future global-change conditions could reduce Pc in Mediterranean lakes, multiple interacting drivers can temper the impact of a severely detrimental driver (i.e. UVR), particularly as the water column darkens.
Dengue virus infection impedes megakaryopoiesis in MEG-01 cells where the virus envelope protein interacts with the transcription factor TAL-1
Authors: Banerjee Atoshi , Tripathi Aarti , Duggal Shweta , Banerjee Arup , Vrati Sudhanshu 
Published: November 2020

AbstractDengue virus (DENV) infection causes dengue fever in humans, which can lead to thrombocytopenia showing a marked reduction in platelet counts, and dengue hemorrhagic fever. The virus may cause thrombocytopenia either by destroying the platelets or by interfering with their generation via the process of megakaryopoiesis. MEG-01 is the human megakaryoblastic leukemia cell line that can be differentiated in vitro by phorbol-12-myristate-13-acetate (PMA) treatment to produce platelet-like-particles (PLPs). We have studied DENV infection of MEG-01 cells to understand its effect on megakaryopoiesis and the generation of PLPs. We observed that DENV could infect only naive MEG-01 cells, and differentiated cells were refractory to virus infection/replication. However, DENV-infected MEG-01 cells, when induced for differentiation with PMA, supported an enhanced viral replication. Following the virus infection, the MEG-01 cells showed a marked reduction in the surface expression of platelet markers (CD41, CD42a, and CD61), a decreased polyploidy, and significantly reduced PLP counts. DENV infection caused an enhanced Notch signaling in MEG-01 cells where the virus envelope protein was shown to interact with TAL-1, a host protein important for megakaryopoiesis. These observations provide new insight into the role of DENV in modulating the megakaryopoiesis and platelet production process.
Predicting antibody affinity changes upon mutations by combining multiple predictors
Authors: Kurumida Yoichi , Saito Yutaka , Kameda Tomoshi 
Published: November 2020

AbstractAntibodies are proteins working in our immune system with high affinity and specificity for target antigens, making them excellent tools for both biotherapeutic and bioengineering applications. The prediction of antibody affinity changes upon mutations ($${{\Delta \Delta {\mathrm{G}}}}_{\mathrm{binding}}$$ΔΔGbinding) is important for antibody engineering. Numerous computational methods have been proposed based on different approaches including molecular mechanics and machine learning. However, the accuracy by each individual predictor is not enough for efficient antibody development. In this study, we develop a new prediction method by combining multiple predictors based on machine learning. Our method was tested on the SiPMAB database, evaluating the Pearson’s correlation coefficient between predicted and experimental$${{\Delta \Delta {\mathrm{G}}}}_{\mathrm{binding}}$$ΔΔGbinding. Our method achieved higher accuracy (R = 0.69) than previous molecular mechanics or machine-learning based methods (R = 0.59) and the previous method using the average of multiple predictors (R = 0.64). Feature importance analysis indicated that the improved accuracy was obtained by combining predictors with different importance, which have different protocols for calculating energies and for generating mutant and unbound state structures. This study demonstrates that machine learning is a powerful framework for combining different approaches to predict antibody affinity changes.
Melanin concentration and depolarization metrics measurement by polarization-sensitive optical coherence tomography
Authors: Yamanari Masahiro , Mase Mutsuki , Obata Ryo , Matsuzaki Mitsuhiro , Minami Takahiro , Takagi Seiji , Yamamoto Motoshi , Miyamoto Noriko , Ueda Koji , Koide Naoshi , Maeda Tadao , Totani Kota , Aoki Nobuyori , Hirami Yasuhiko , Sugiyama Satoshi , Mandai Michiko , Aihara Makoto , Takahashi Masayo , Kato Satoshi , Kurimoto Yasuo 
Published: November 2020

AbstractImaging of melanin in the eye is important as the melanin is structurally associated with some ocular diseases, such as age-related macular degeneration. Although optical coherence tomography (OCT) cannot distinguish tissues containing the melanin from other tissues intrinsically, polarization-sensitive OCT (PS-OCT) can detect the melanin through spatial depolarization of the backscattered light from the melanin granules. Entropy is one of the depolarization metrics that can be used to detect malanin granules in PS-OCT and valuable quantitative information on ocular tissue abnormalities can be retrived by correlating entropy with the melanin concentration. In this study, we investigate a relationship between the melanin concentration and some depolarization metrics including the entropy, and show that the entropy is linearly proportional to the melanin concentration in double logarithmic scale when noise bias is corrected for the entropy. In addition, we also confirm that the entropy does not depend on the incident state of polarization using the experimental data, which is one of important attributes that depolarization metrics should have. The dependence on the incident state of polarization is also analyzed for other depolarization metrics.
Coffee decoction enhances tamoxifen proapoptotic activity on MCF-7 cells
Authors: Funakoshi-Tago Megumi , Tago Kenji , Li Chin , Hokimoto Shingo , Tamura Hiroomi 
Published: November 2020

AbstractThe consumption of coffee has been suggested to effectively enhance the therapeutic effects of tamoxifen against breast cancer; however, the underlying molecular mechanisms remain unclear. We herein attempted to clarify how coffee decoction exerts anti-cancer effects in cooperation with tamoxifen using the estrogen receptor α (ERα)-positive breast cancer cell line, MCF-7. The results obtained showed that coffee decoction down-regulated the expression of ERα, which was attributed to caffeine inhibiting its transcription. Coffee decoction cooperated with tamoxifen to induce cell-cycle arrest and apoptotic cell death, which may have been mediated by decreases in cyclin D1 expression and the activation of p53 tumor suppressor. The inclusion of caffeine in coffee decoction was essential, but not sufficient, to induce cell-cycle arrest and apoptotic cell death, suggesting the requirement of unknown compound(s) in coffee decoction to decrease cyclin D1 expression and activate apoptotic signaling cascades including p53. The activation of p53 through the cooperative effects of these unidentified component(s), caffeine, and tamoxifen appeared to be due to the suppression of the ERK and Akt pathways. Although the mechanisms by which the suppression of these pathways induces p53-mediated apoptotic cell death remain unclear, the combination of decaffeinated coffee, caffeine, and tamoxifen also caused cell-cycle arrest and apoptotic cell death, suggesting that unknown compound(s) present in decaffeinated coffee cooperate with caffeine and tamoxifen.
Increased Ca2+ content of the sarcoplasmic reticulum provides arrhythmogenic trigger source in swimming-induced rat athlete’s heart model
Authors: Gazdag Péter , Oravecz Kinga , Acsai Károly , Demeter-Haludka Vivien , Ördög Balázs , Szlovák Jozefina , Kohajda Zsófia , Polyák Alexandra , Barta Bálint András , Oláh Attila , Radovits Tamás , Merkely Béla , Papp Julius Gy. , Baczkó István , Varró András , Nagy Norbert , Prorok János 
Published: November 2020

AbstractSudden cardiac death among top athletes is very rare, however, it is 2–4 times more frequent than in the age-matched control population. In the present study, the electrophysiological consequences of long-term exercise training were investigated on Ca2+ homeostasis and ventricular repolarization, together with the underlying alterations of ion channel expression, in a rat athlete's heart model. 12-week swimming exercise-trained and control Wistar rats were used. Electrophysiological data were obtained by using ECG, patch clamp and fluorescent optical measurements. Protein and mRNA levels were determined by the Western immunoblot and qRT-PCR techniques. Animals in the trained group exhibited significantly lower resting heart rate, higher incidence of extrasystoles and spontaneous Ca2+ release events. The Ca2+ content of the sarcoplasmic reticulum (SR) and the Ca2+ transient amplitude were significantly larger in the trained group. Intensive physical training is associated with elevated SR Ca2+ content, which could be an important part of physiological cardiac adaptation mechanism to training. However, it may also sensitize the heart for the development of spontaneous Ca2+ release and extrasystoles. Training-associated remodeling may promote elevated incidence of life threatening arrhythmias in top athletes.