bluuebunny/crossref_metadata_2025 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

Enhancing 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.
Author Correction: Direct C(sp2)–H alkylation of unactivated arenes enabled by photoinduced Pd catalysis
Authors: Kim Daeun , Lee Geun Seok , Kim Dongwook , Hong Soon Hyeok
Published: November 2020

A Correction to this paper has been published: https://doi.org/10.1038/s41467-020-19812-8.
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

Quantum 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

There 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

The 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

As 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

We 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

Mass 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

Animal 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

Increases 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

Dengue 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

Antibodies 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

Imaging 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

The 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

Sudden 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.
Time of flight dual photon emission computed tomography
Authors: Chiang Chih-Chieh , Chuang Chun-Chao , Ni Yu-Ching , Jan Meei-Ling , Chuang Keh-Shih , Lin Hsin-Hon
Published: November 2020

Time-of-flight dual photon emission computed tomography (TOF-DuPECT) is an imaging system that can obtain radionuclide distributions using time information recorded from two cascade-decay photons. The potential decay locations in the image space, a hyperbolic response curve, can be determined via time-difference-of-arrival (TDOA) estimations from two instantaneous coincidence photons. In this feasibility study, Monte Carlo simulations were performed to generate list-mode coincidence data. A full-ring positron emission tomography-like detection system geometry was built in the simulation environment. A contrast phantom and a Jaszczak-like phantom filled with Selenium-75 (Se-75) were used to evaluate the image quality. A TOF-DuPECT system with varying coincidence time resolution (CTR) was then evaluated. We used the stochastic origin ensemble (SOE) algorithm to reconstruct images from the recorded list-mode data. The results indicate that the SOE method can be successfully employed for the TOF-DuPECT system and can achieve acceptable image quality when the CTR is less than 100 ps. Therefore, the TOF-DuPECT imaging system is feasible. With the improvement of the detector with time, future implementations and applications of TOF-DuPECT are promising. Further quantitative imaging techniques such as attenuation and scatter corrections for the TOF-DuPECT system will be developed in future.
COVID-Net: a tailored deep convolutional neural network design for detection of COVID-19 cases from chest X-ray images
Authors: Wang Linda , Lin Zhong Qiu , Wong Alexander
Published: November 2020

The Coronavirus Disease 2019 (COVID-19) pandemic continues to have a devastating effect on the health and well-being of the global population. A critical step in the fight against COVID-19 is effective screening of infected patients, with one of the key screening approaches being radiology examination using chest radiography. It was found in early studies that patients present abnormalities in chest radiography images that are characteristic of those infected with COVID-19. Motivated by this and inspired by the open source efforts of the research community, in this study we introduce COVID-Net, a deep convolutional neural network design tailored for the detection of COVID-19 cases from chest X-ray (CXR) images that is open source and available to the general public. To the best of the authors’ knowledge, COVID-Net is one of the first open source network designs for COVID-19 detection from CXR images at the time of initial release. We also introduce COVIDx, an open access benchmark dataset that we generated comprising of 13,975 CXR images across 13,870 patient patient cases, with the largest number of publicly available COVID-19 positive cases to the best of the authors’ knowledge. Furthermore, we investigate how COVID-Net makes predictions using an explainability method in an attempt to not only gain deeper insights into critical factors associated with COVID cases, which can aid clinicians in improved screening, but also audit COVID-Net in a responsible and transparent manner to validate that it is making decisions based on relevant information from the CXR images. By no means a production-ready solution, the hope is that the open access COVID-Net, along with the description on constructing the open source COVIDx dataset, will be leveraged and build upon by both researchers and citizen data scientists alike to accelerate the development of highly accurate yet practical deep learning solutions for detecting COVID-19 cases and accelerate treatment of those who need it the most.
The role of soluble mediators in the clinical course of EBV infection and B cell homeostasis after kidney transplantation
Authors: Bajda Sharon , Blazquez-Navarro Arturo , Samans Björn , Wehler Patrizia , Kaliszczyk Sviatlana , Amini Leila , Schmueck-Henneresse Michael , Witzke Oliver , Dittmer Ulf , Westhoff Timm H. , Viebahn Richard , Reinke Petra , Thomusch Oliver , Hugo Christian , Olek Sven , Roch Toralf , Babel Nina
Published: November 2020

Epstein-Barr virus (EBV) reactivation can lead to serious complications in kidney transplant patients, including post-transplant lymphoproliferative disorder (PTLD). Here, we have assessed the impact of EBV on B cell homeostasis at cellular and humoral level. In a multicenter study monitoring 540 kidney transplant patients during the first post-transplant year, EBV reactivation was detected in 109 patients. Thirteen soluble factors and B cell counts were analyzed in an EBV+sub-cohort (N = 54) before, at peak and after EBV clearance and compared to a control group (N = 50). The B cell activating factor (BAFF) was significantly elevated among EBV+patients. No additional soluble factors were associated with EBV. Importantly, in vitro experiments confirmed the proliferative effect of BAFF on EBV-infected B cells, simultaneously promoting EBV production. In contrast, elevated levels of BAFF in EBV+patients did not lead to B cell expansion in vivo. Moreover, diminished positive inter-correlations of soluble factors and alterations of the bi-directional interplay between B cell and soluble factors were observed in EBV+patients at peak and after clearance. Our data suggest that such alterations may counteract the proliferative effect of BAFF, preventing B cell expansion. The role of these alterations in lymphoma development should be analyzed in future studies.
Sampling technique biases in the analysis of fruit fly volatiles: a case study of Queensland fruit fly
Authors: Noushini Saeedeh , Park Soo Jean , Jamie Ian , Jamie Joanne , Taylor Phillip
Published: November 2020

Diverse methods have been used to sample insect semiochemicals. Sampling methods can differ in efficiency and affinity and this can introduce significant biases when interpreting biological patterns. We compare common methods used to sample tephritid fruit fly rectal gland volatiles (‘pheromones’), focusing on Queensland fruit fly, Bactrocera tryoni. Solvents of different polarity, n-hexane, dichloromethane and ethanol, were compared using intact and crushed glands. Polydimethylsiloxane, polydimethylsiloxane/divinylbenzene and polyacrylate were compared as adsorbents for solid phase microextraction. Tenax-GR and Porapak Q were compared as adsorbents for dynamic headspace sampling. Along with compounds previously reported for B. tryoni, we detected five previously unreported compounds in males, and three in females. Dichloromethane extracted more amides while there was no significant difference between the three solvents in extraction of spiroacetals except for (E,E)-2,8-dimethyl-1,7-dioxaspiro[5.5]undecane for which n-hexane extracted higher amount than both dichloromethane and ethanol. Ethanol failed to contain many of the more volatile compounds. Crushed rectal gland samples provided higher concentrations of extracted compounds than intact rectal gland samples, but no compounds were missed in intact samples. Of solid phase microextraction fibers, polyacrylate had low affinity for spiroacetals, ethyl isobutyrate and ethyl-2-methylbutanoate. Polydimethylsiloxane was more efficient for spiroacetals while type of fiber did not affect the amounts of amides and esters. In dynamic headspace sampling, Porapak was more efficient for ethyl isobutyrate and spiroacetals, while Tenax was more efficient for other esters and amides, and sampling time was a critical factor. Biases that can be introduced by sampling methods are important considerations when collecting and interpreting insect semiochemical profiles.
Assessment of post-harvest losses and carbon footprint in intensive lowland rice production in Myanmar
Authors: Gummert Martin , Nguyen-Van-Hung  , Cabardo Christopher , Quilloy Reianne , Aung Yan Lin , Thant Aung Myo , Kyaw Myo Aung , Labios Romeo , Htwe Nyo Me , Singleton Grant R.
Published: November 2020

This paper examines how a move from traditional post-harvest operations of smallholder rice farms in the Ayeyarwaddy delta, Myanmar, to improved post-harvest operations affected income, energy efficiency and greenhouse gas emissions (GHGE). Harvest and post-harvest losses were investigated in a field experiment with 5 replications per scenario. A comparative analysis on energy efficiency and cost-benefits was conducted for different practices of rice production from cultivation to milling. GHGE of different practices were also considered using a life-cycle assessment approach. The study demonstrates that the mechanized practices increased the net income by 30–50% compared with traditional practices. Despite using additional energy for machine manufacturing and fuel consumption, the mechanized practices significantly reduced postharvest losses and did not increase the total life-cycle enegy and GHGE. Combine harvesting helped to significantly reduce harvesting loss in a range of 3 to 7% (by weight of the rice product). Improved post-harvest management practices with a flatbed dryer and hermetic storage reduced the discoloration of rice grains by 3 to 4% and increased head-rice recovery by 20 to 30% (by weight of rice product). The research findings provide empirical evidence that improved post-harvest management of rice in the Ayeyarwaddy delta, compared to traditional post-harvest operations by smallholder farmers, reduce post-harvest losses and improve the quality of rice. The findings provide valuable information for policy makers involved in formulating evidence-based mechanization policies in South and Southeast Asia.
Ready-to-use nanopore platform for the detection of any DNA/RNA oligo at attomole range using an Osmium tagged complementary probe
Authors: Kang Albert S. W. , Bernasconi Janette G. , Jack William , Kanavarioti Anastassia
Published: November 2020

Nanopores can serve as single molecule sensors. We exploited the MinION, a portable nanopore device from Oxford Nanopore Technologies, and repurposed it to detect any DNA/RNA oligo (target) in a complex mixture by conducting voltage-driven ion-channel measurements. The detection and quantitation of the target is enabled by the use of a unique complementary probe. Using a validated labeling technology, probes are tagged with a bulky Osmium tag (Osmium tetroxide 2,2′-bipyridine), in a way that preserves strong hybridization between probe and target. Intact oligos traverse the MinION’s nanopore relatively quickly compared to the device’s acquisition rate, and exhibit count of events comparable to the baseline. Counts are reported by a publicly available software, OsBp_detect. Due to the presence of the bulky Osmium tag, probes traverse more slowly, produce multiple counts over the baseline, and are even detected at single digit attomole (amole) range. In the presence of the target the probe is “silenced”. Silencing is attributed to a 1:1 double stranded (ds) complex that does not fit and cannot traverse this nanopore. This ready-to-use platform can be tailored as a diagnostic test to meet the requirements for point-of-care cell-free tumor DNA (ctDNA) and microRNA (miRNA) detection and quantitation in body fluids.
EEG distinguishes heroic narratives in ISIS online video propaganda
Authors: Yoder Keith J. , Ruby Keven , Pape Robert , Decety Jean
Published: November 2020

The Islamic State (ISIS) was uniquely effective among extremist groups in the Middle East at recruiting Westerners. A major way ISIS accomplished this was by adopting Hollywood-style narrative structures for their propaganda videos. In particular, ISIS utilized a heroic martyr narrative, which focuses on an individual’s personal glory and empowerment, in addition to traditional social martyr narratives, which emphasize duty to kindred and religion. The current work presented adult participants (n = 238) video clips from ISIS propaganda which utilized either heroic or social martyr narratives and collected behavioral measures of appeal, narrative transportation, and psychological dispositions (egoism and empathy) associated with attraction to terrorism. Narrative transportation and the interaction between egoism and empathy predicted video recruitment appeal. A subset of adults (n = 80) underwent electroencephalographic (EEG) measurements while watching a subset of the video-clips. Complementary univariate and multivariate techniques characterized spectral power density differences when perceiving the different types of narratives. Heroic videos show increased beta power over frontal sites, and globally increased alpha. In contrast, social narratives showed greater frontal theta, an index of negative feedback and emotion regulation. The results provide strong evidence that ISIS heroic narratives are specifically processed, and appeal to psychological predispositions distinctly from other recruitment narratives.
EZH2 inhibition reduces cartilage loss and functional impairment related to osteoarthritis
Authors: Allas Lyess , Brochard Sybille , Rochoux Quitterie , Ribet Jules , Dujarrier Cleo , Veyssiere Alexis , Aury-Landas Juliette , Grard Ophélie , Leclercq Sylvain , Vivien Denis , Ea Hang-Korng , Maubert Eric , Cohen-Solal Martine , Boumediene Karim , Agin Véronique , Baugé Catherine
Published: November 2020

Histone methyltransferase EZH2 is upregulated during osteoarthritis (OA), which is the most widespread rheumatic disease worldwide, and a leading cause of disability. This study aimed to assess the impact of EZH2 inhibition on cartilage degradation, inflammation and functional disability. In vitro, gain and loss of EZH2 function were performed in human articular OA chondrocytes stimulated with IL-1β. In vivo, the effects of EZH2 inhibition were investigated on medial meniscectomy (MMX) OA mouse model. The tissue alterations were assayed by histology and the functional disabilities of the mice by actimetry and running wheel. In vitro, EZH2 overexpression exacerbated the action of IL-1β in chondrocytes increasing the expression of genes involved in inflammation, pain (NO, PGE2, IL6, NGF) and catabolism (MMPs), whereas EZH2 inhibition by a pharmacological inhibitor, EPZ-6438, reduced IL-1β effects. Ex vivo, EZH2 inhibition decreased IL-1β-induced degradation of cartilage. In vivo, intra-articular injections of the EZH2 inhibitor reduced cartilage degradation and improved motor functions of OA mice. This study demonstrates that the pharmacological inhibition of the histone methyl-transferase EZH2 slows the progression of osteoarthritis and improves motor functions in an experimental OA model, suggesting that EZH2 could be an effective target for the treatment of OA by reducing catabolism, inflammation and pain.
Influence of red mud and waste glass on the microstructure, strength, and leaching behavior of bottom ash-based geopolymer composites
Authors: Bobirică Constantin , Orbeci Cristina , Bobirică Liliana , Palade Petru , Deleanu Călin , Pantilimon Cristian Mircea , Pîrvu Cristian , Radu Ionuţ Cristian
Published: November 2020

The influence of waste glass and red mud addition as alternative source of aluminosilicate precursors on the microstructural, mechanical, and leaching properties of bottom ash-based geopolymer was studied in this work through mineralogical, morphological, and spectroscopic analysis, as well as by conducting compressive strength and leaching tests. The bottom ash-based geopolymer composites were synthesized by adding a constant amount of waste glass (10% by weight) and increasing amounts of red mud (up to 30% by weight). The results derived from FTIR, 29Si and 27Al MAS NMR, and SEM–EDX revealed that adding up to 10% (by weight) red mud to the synthesis mixes leads to an increase in the degree of geopolymerization of the activated mixes. The compressive strength followed the same trend. An increase of more than 10% (by weight) red mud added to the synthesis mixes results in a significant decrease of compressive strength of the geopolymer composites. A low leachability of geopolymer composites in regard with their contaminants was revealed especially for those with good compressive strength.
The effect of rapid adjustments to halocarbons and N2O on radiative forcing
Authors: Hodnebrog Øivind , Myhre Gunnar , Kramer Ryan J. , Shine Keith P. , Andrews Timothy , Faluvegi Gregory , Kasoar Matthew , Kirkevåg Alf , Lamarque Jean-François , Mülmenstädt Johannes , Olivié Dirk , Samset Bjørn H. , Shindell Drew , Smith Christopher J. , Takemura Toshihiko , Voulgarakis Apostolos
Published: November 2020

Rapid adjustments occur after initial perturbation of an external climate driver (e.g., CO2) and involve changes in, e.g. atmospheric temperature, water vapour and clouds, independent of sea surface temperature changes. Knowledge of such adjustments is necessary to estimate effective radiative forcing (ERF), a useful indicator of surface temperature change, and to understand global precipitation changes due to different drivers. Yet, rapid adjustments have not previously been analysed in any detail for certain compounds, including halocarbons and N2O. Here we use several global climate models combined with radiative kernel calculations to show that individual rapid adjustment terms due to CFC-11, CFC-12 and N2O are substantial, but that the resulting flux changes approximately cancel at the top-of-atmosphere due to compensating effects. Our results further indicate that radiative forcing (which includes stratospheric temperature adjustment) is a reasonable approximation for ERF. These CFCs lead to a larger increase in precipitation per kelvin surface temperature change (2.2 ± 0.3% K−1) compared to other well-mixed greenhouse gases (1.4 ± 0.3% K−1 for CO2). This is largely due to rapid upper tropospheric warming and cloud adjustments, which lead to enhanced atmospheric radiative cooling (and hence a precipitation increase) and partly compensate increased atmospheric radiative heating (i.e. which is associated with a precipitation decrease) from the instantaneous perturbation.
A GDSL lipase-like from Ipomoea batatas catalyzes efficient production of 3,5-diCQA when expressed in Pichia pastoris
Authors: Miguel Sissi , Legrand Guillaume , Duriot Léonor , Delporte Marianne , Menin Barbara , Michel Cindy , Olry Alexandre , Chataigné Gabrielle , Salwinski Aleksander , Bygdell Joakim , Vercaigne Dominique , Wingsle Gunnar , Hilbert Jean Louis , Bourgaud Frédéric , Hehn Alain , Gagneul David
Published: November 2020

The synthesis of 3,5-dicaffeoylquinic acid (3,5-DiCQA) has attracted the interest of many researchers for more than 30 years. Recently, enzymes belonging to the BAHD acyltransferase family were shown to mediate its synthesis, albeit with notably low efficiency. In this study, a new enzyme belonging to the GDSL lipase-like family was identified and proven to be able to transform chlorogenic acid (5-O-caffeoylquinic acid, 5-CQA, CGA) in 3,5-DiCQA with a conversion rate of more than 60%. The enzyme has been produced in different expression systems but has only been shown to be active when transiently synthesized in Nicotiana benthamiana or stably expressed in Pichia pastoris. The synthesis of the molecule could be performed in vitro but also by a bioconversion approach beginning from pure 5-CQA or from green coffee bean extract, thereby paving the road for producing it on an industrial scale.
Altered transcriptional and chromatin responses to rhinovirus in bronchial epithelial cells from adults with asthma
Authors: Helling Britney A. , Sobreira Débora R. , Hansen Grace T. , Sakabe Noboru J. , Luo Kaixuan , Billstrand Christine , Laxman Bharathi , Nicolae Raluca I. , Nicolae Dan L. , Bochkov Yury A. , Gern James E. , Nobrega Marcelo A. , White Steven R. , Ober Carole
Published: November 2020

There is a life-long relationship between rhinovirus (RV) infection and the development and clinical manifestations of asthma. In this study we demonstrate that cultured primary bronchial epithelial cells from adults with asthma (n = 9) show different transcriptional and chromatin responses to RV infection compared to those without asthma (n = 9). Both the number and magnitude of transcriptional and chromatin responses to RV were muted in cells from asthma cases compared to controls. Pathway analysis of the transcriptionally responsive genes revealed enrichments of apoptotic pathways in controls but inflammatory pathways in asthma cases. Using promoter capture Hi-C we tethered regions of RV-responsive chromatin to RV-responsive genes and showed enrichment of these regions and genes at asthma GWAS loci. Taken together, our studies indicate a delayed or prolonged inflammatory state in cells from asthma cases and highlight genes that may contribute to genetic risk for asthma.
Non-aqueous, zwitterionic solvent as an alternative for dimethyl sulfoxide in the life sciences
Authors: Kuroda Kosuke , Komori Tetsuo , Ishibashi Kojiro , Uto Takuya , Kobayashi Isao , Kadokawa Riki , Kato Yui , Ninomiya Kazuaki , Takahashi Kenji , Hirata Eishu
Published: November 2020

Dimethyl sulfoxide (DMSO) is widely used as a solvent in the life sciences, however, it is somewhat toxic and affects cell behaviours in a range of ways. Here, we propose a zwitterionic liquid (ZIL), a zwitterion-type ionic liquid containing histidine-like module, as a new alternative to DMSO. ZIL is not cell permeable, less toxic to cells and tissues, and has great potential as a vehicle for various hydrophobic drugs. Notably, ZIL can serve as a solvent for stock solutions of platinating agents, whose anticancer effects are completely abolished by dissolution in DMSO. Furthermore, ZIL possesses suitable affinity to the plasma membrane and acts as a cryoprotectant. Our results suggest that ZIL is a potent, multifunctional and biocompatible solvent that compensates for many shortcomings of DMSO.
Single electron transfer-based peptide/protein bioconjugations driven by biocompatible energy input
Authors: Weng Yue , Song Chunlan , Chiang Chien-Wei , Lei Aiwen
Published: November 2020

Bioconjugation reactions play a central facilitating role in engendering modified peptides and proteins. Early progress in this area was inhibited by challenges such as the limited range of substrates and the relatively poor biocompatibility of bioconjugation reagents. However, the recent developments in visible-light induced photoredox catalysis and electrochemical catalysis reactions have permitted significant novel reactivities to be developed in the field of synthetic and bioconjugation chemistry. This perspective describes recent advances in the use of biocompatible energy input for the modification of peptides and proteins mainly, via the single electron transfer (SET) process, as well as key future developments in this area.
Single step syntheses of (1S)-aryl-tetrahydroisoquinolines by norcoclaurine synthases
Authors: Roddan Rebecca , Sula Altin , Méndez-Sánchez Daniel , Subrizi Fabiana , Lichman Benjamin R. , Broomfield Joseph , Richter Michael , Andexer Jennifer N. , Ward John M. , Keep Nicholas H. , Hailes Helen C.
Published: November 2020

The 1-aryl-tetrahydroisoquinoline (1-aryl-THIQ) moiety is found in many biologically active molecules. Single enantiomer chemical syntheses are challenging and although some biocatalytic routes have been reported, the substrate scope is limited to certain structural motifs. The enzyme norcoclaurine synthase (NCS), involved in plant alkaloid biosynthesis, has been shown to perform stereoselective Pictet–Spengler reactions between dopamine and several carbonyl substrates. Here, benzaldehydes are explored as substrates and found to be accepted by both wild-type and mutant constructs of NCS. In particular, the variant M97V gives a range of (1 S)-aryl-THIQs in high yields (48–99%) and e.e.s (79–95%). A co-crystallised structure of the M97V variant with an active site reaction intermediate analogue is also obtained with the ligand in a pre-cyclisation conformation, consistent with (1 S)-THIQs formation. Selected THIQs are then used with catechol O-methyltransferases with exceptional regioselectivity. This work demonstrates valuable biocatalytic approaches to a range of (1 S)-THIQs.