bluuebunny/crossref_metadata_2025_split huggingface dataset:
Liquid water contains the building blocks of diverse ice phases
Authors: Monserrat Bartomeu , Brandenburg Jan Gerit , Engel Edgar A. , Cheng Bingqing 
Published: November 2020

AbstractWater molecules can arrange into a liquid with complex hydrogen-bond networks and at least 17 experimentally confirmed ice phases with enormous structural diversity. It remains a puzzle how or whether this multitude of arrangements in different phases of water are related. Here we investigate the structural similarities between liquid water and a comprehensive set of 54 ice phases in simulations, by directly comparing their local environments using general atomic descriptors, and also by demonstrating that a machine-learning potential trained on liquid water alone can predict the densities, lattice energies, and vibrational properties of the ices. The finding that the local environments characterising the different ice phases are found in water sheds light on the phase behavior of water, and rationalizes the transferability of water models between different phases.
Porous perovskite films integrated with Au–Pt nanowire-based electrodes for highly flexible large-area photodetectors
Authors: Saraf Rohit , Fan Hua , Maheshwari Vivek 
Published: November 2020

AbstractFlexible, large-area, and stable perovskite photodetectors have drawn increasing widespread research attention for next-generation wearable and portable optoelectronic devices. However, high mechanical durability coupled with large device area and enhanced environmental stability has not been demonstrated yet to attain practical viability. Herein, a highly bendable, stable, and large-area (3 cm2) flexible polystyrene incorporated perovskite photodetector is presented. Due to the formation of a porous polystyrene-perovskite composite film in a single step it allows unprecedented mechanical stability, maintaining 85% of its original photocurrent value after 10,000 bending cycles at a bending angle of 120°. Equally crucial, the solution-processed self-assembled Pt–Au nanochains were developed to provide a simple and fast method of patterning the conductive and flexible electrodes onto the filter substrate. The optimized polystyrene-perovskite photodetector exhibits a high responsivity up to 2.73 A W−1, a maximum specific detectivity of 6.2 × 1013 Jones, and a superior switching ratio of 1.0 × 104. In addition, the polystyrene-perovskite photodetector yields excellent stability under the combined stresses of moisture, ambient air, and room light, and retains 92% of its original performance for over 30 days. All these results demonstrate that this work provides a facile and cost-effective approach that paves the way to develop high-performance, stable, and highly flexible optoelectronic devices.
A harmonised, high-coverage, open dataset of solar photovoltaic installations in the UK
Authors: Stowell Dan , Kelly Jack , Tanner Damien , Taylor Jamie , Jones Ethan , Geddes James , Chalstrey Ed 
Published: November 2020

AbstractSolar photovoltaic (PV) is an increasingly significant fraction of electricity generation. Efficient management, and innovations such as short-term forecasting and machine vision, demand high-resolution geographic datasets of PV installations. However, official and public sources have notable deficiencies: spatial imprecision, gaps in coverage and lack of crucial meta data, especially for small-scale solar panel installations. We present the results of a major crowd-sourcing campaign to create open geographic data for over 260,000 solar PV installations across the UK, covering an estimated 86% of the capacity in the country. We focus in particular on capturing small-scale domestic solar PV, which accounts for a significant fraction of generation but was until now very poorly documented. Our dataset suggests nameplate capacities in the UK (as of September 2020) amount to a total of 10.66 GW explicitly mapped, or 13.93 GW when missing capacities are inferred. Our method is applied to the UK but applicable worldwide, and compatible with continual updating to track the rapid growth in PV deployment.
Identification and dereplication of endophytic Colletotrichum strains by MALDI TOF mass spectrometry and molecular networking
Authors: Barthélemy Morgane , Guérineau Vincent , Genta-Jouve Grégory , Roy Mélanie , Chave Jérôme , Guillot Régis , Pellissier Léonie , Wolfender Jean-Luc , Stien Didier , Eparvier Véronique , Touboul David 
Published: November 2020

AbstractThe chemical diversity of biologically active fungal strains from 42 Colletotrichum, isolated from leaves of the tropical palm species Astrocaryum sciophilum collected in pristine forests of French Guiana, was investigated. The collection was first classified based on protein fingerprints acquired by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) correlated with cytotoxicity. Liquid chromatography coupled to high-resolution tandem mass spectrometry (LC-HRMS/MS) data from ethyl acetate extracts were acquired and processed to generate a massive molecular network (MN) using the MetGem software. From five Colletotrichum strains producing cytotoxic specialized metabolites, we predicted the occurrence of peptide and cytochalasin analogues in four of them by MN, including a similar ion clusters in the MN algorithm provided by MetGem software. Chemoinformatics predictions were fully confirmed after isolation of three pentacyclopeptides (cyclo(Phe-Leu-Leu-Leu-Val), cyclo(Phe-Leu-Leu-Leu-Leu) and cyclo(Phe-Leu-Leu-Leu-Ile)) and two cytochalasins (cytochalasin C and cytochalasin D) exhibiting cytotoxicity at the micromolar concentration. Finally, the chemical study of the last active cytotoxic strain BSNB-0583 led to the isolation of four colletamides bearing an identical decadienamide chain.
Molecular data suggest multiple origins and diversification times of freshwater gammarids on the Aegean archipelago
Authors: Hupało Kamil , Karaouzas Ioannis , Mamos Tomasz , Grabowski Michał 
Published: November 2020

AbstractOur main aim was to investigate the diversity, origin and biogeographical affiliations of freshwater gammarids inhabiting the Aegean Islands by analysing their mtDNA and nDNA polymorphism, thereby providing the first insight into the phylogeography of the Aegean freshwater gammarid fauna. The study material was collected from Samothraki, Lesbos, Skyros, Evia, Andros, Tinos and Serifos islands as well as from mainland Greece. The DNA extracted was used for amplification of two mitochondrial (COI and 16S) and two nuclear markers (28S and EF1-alpha). The multimarker time-calibrated phylogeny supports multiple origins and different diversification times for the studied taxa. Three of the sampled insular populations most probably represent new, distinct species as supported by all the delimitation methods used in our study. Our results show that the evolution of freshwater taxa is associated with the geological history of the Aegean Basin. The biogeographic affiliations of the studied insular taxa indicate its continental origin, as well as the importance of the land fragmentation and the historical land connections of the islands. Based on the findings, we highlight the importance of studying insular freshwater biota to better understand diversification mechanisms in fresh waters as well as the origin of studied Aegean freshwater taxa.
Multi-level analysis of reproduction in an Antarctic midge identifies female and male accessory gland products that are altered by larval stress and impact progeny viability
Authors: Finch Geoffrey , Nandyal Sonya , Perretta Carlie , Davies Benjamin , Rosendale Andrew J. , Holmes Christopher J. , Gantz J. D. , Spacht Drew E. , Bailey Samuel T. , Chen Xiaoting , Oyen Kennan , Didion Elise M. , Chakraborty Souvik , Lee Richard E. , Denlinger David L. , Matter Stephen F. , Attardo Geoffrey M. , Weirauch Matthew T. , Benoit Joshua B. 
Published: November 2020

AbstractThe Antarctic midge, Belgica antarctica, is a wingless, non-biting midge endemic to Antarctica. Larval development requires at least 2 years, but adults live only 2 weeks. The nonfeeding adults mate in swarms and females die shortly after oviposition. Eggs are suspended in a gel of unknown composition that is expressed from the female accessory gland. This project characterizes molecular mechanisms underlying reproduction in this midge by examining differential gene expression in whole males, females, and larvae, as well as in male and female accessory glands. Functional studies were used to assess the role of the gel encasing the eggs, as well as the impact of stress on reproductive biology. RNA-seq analyses revealed sex- and development-specific gene sets along with those associated with the accessory glands. Proteomic analyses were used to define the composition of the egg-containing gel, which is generated during multiple developmental stages and derived from both the accessory gland and other female organs. Functional studies indicate the gel provides a larval food source as well as a buffer for thermal and dehydration stress. All of these function are critical to juvenile survival. Larval dehydration stress directly reduces production of storage proteins and key accessory gland components, a feature that impacts adult reproductive success. Modeling reveals that bouts of dehydration may have a significant impact on population growth. This work lays a foundation for further examination of reproduction in midges and provides new information related to general reproduction in dipterans. A key aspect of this work is that reproduction and stress dynamics, currently understudied in polar organisms, are likely to prove critical in determining how climate change will alter their survivability.
Phonon mode potential and its contribution to anharmonism
Authors: Jochym Paweł T. , Łażewski Jan , Szuszkiewicz Wojciech 
Published: November 2020

AbstractWe present systematic ab-initio study on the phonon mode potential as a source of anharmonicity in the crystal. As an example, the transverse optical (TO) mode potential in PbTe has been fitted to density-functional-theory calculated energies of phonons excited with different amplitudes of mode displacements. The corresponding equation of motion has been analytically and numerically solved in 1D and 2D space, respectively. The solution is used for constructing the ensemble of 10,000 systems with potential and kinetic energies selected according to the thermal equilibrium distributions. The velocity auto-correlation function derived from the computed trajectories is then used to calculate the profile of the phonon spectrum for the TO an LA modes at three temperatures of 100, 300, and 600 K. This technique allows for determination of the contribution of non-quadratic potential of the phonon mode to the anharmonicity in the crystal and its effect on the phonon spectrum.
Design and development of innovative microparticulate/nanoparticulate inhalable dry powders of a novel synthetic trifluorinated chalcone derivative and Nrf2 agonist
Authors: Muralidharan Priya , Jones Brielle , Allaway Graham , Biswal Shyam S. , Mansour Heidi M. 
Published: November 2020

AbstractChalcone derivatives are shown to possess excellent anti-inflammatory and anti-oxidant properties which are of great interest in treating respiratory diseases such as acute lung injury (ALI), acute respiratory distress syndrome (ARDS), chronic obstructive pulmonary disease (COPD), and pulmonary fibrosis (PF). This study successfully designed and developed dry powder inhaler (DPI) formulations of TMC (2-trifluoromethyl-2′-methoxychalone), a new synthetic trifluorinated chalcone and Nrf2 agonist, for targeted pulmonary inhalation aerosol drug delivery. An advanced co-spray drying particle engineering technique was used to design and produce microparticulate/nanoparticulate formulations of TMC with a suitable excipient (mannitol) as inhalable particles with tailored particle properties for inhalation. Raw TMC and co-spray dried TMC formulations were comprehensively characterized for the first time using scanning electron microscopy (SEM) with energy dispersive X-ray (EDX) spectroscopy, thermal analysis, X-ray powder diffraction (XRPD), and molecular fingerprinting as dry powders by ATR-FTIR spectroscopy and Raman spectroscopy. Further, biocompatibility and suitability of formulations were tested with in vitro cellular transepithelial electrical resistance (TEER) in air-interface culture (AIC) using a human pulmonary airway cell line. The ability of these TMC formulations to perform as aerosolized dry powders was systematically evaluated by design of experiments (DOEs) using three different FDA-approved human inhaler devices followed by interaction parameter analyses. Multiple spray drying pump rates (25%, 75%, and 100%) successfully produced co-spray dried TMC:mannitol powders. Raw TMC exhibited a first-order phase transition temperature at 58.15 ± 0.38 °C. Furthermore, the results demonstrate that these innovative TMC dry powder particles are suitable for targeted delivery to the airways by inhalation.
Cell-free synthesis of the hirudin variant 1 of the blood-sucking leech Hirudo medicinalis
Authors: Wüstenhagen Doreen A. , Lukas Phil , Müller Christian , Aubele Simone A. , Hildebrandt Jan-Peter , Kubick Stefan 
Published: November 2020

AbstractSynthesis and purification of peptide drugs for medical applications is a challenging task. The leech-derived factor hirudin is in clinical use as an alternative to heparin in anticoagulatory therapies. So far, recombinant hirudin is mainly produced in bacterial or yeast expression systems. We describe the successful development and application of an alternative protocol for the synthesis of active hirudin based on a cell-free protein synthesis approach. Three different cell lysates were compared, and the effects of two different signal peptide sequences on the synthesis of mature hirudin were determined. The combination of K562 cell lysates and the endogenous wild-type signal peptide sequence was most effective. Cell-free synthesized hirudin showed a considerably higher anti-thrombin activity compared to recombinant hirudin produced in bacterial cells.
Interaction of liming and long-term fertilization increased crop yield and phosphorus use efficiency (PUE) through mediating exchangeable cations in acidic soil under wheat–maize cropping system
Authors: Qaswar Muhammad , Dongchu Li , Jing Huang , Tianfu Han , Ahmed Waqas , Abbas Muhammad , Lu Zhang , Jiangxue Du , Khan Zulqarnain Haider , Ullah Sami , Huimin Zhang , Boren Wang 
Published: November 2020

AbstractLow phosphorus use efficiency (PUE) is one of the main problems of acidic soil that limit the crop growth. Therefore, in the present study, we investigated the response of crop yield and PUE to the long-term application of fertilizers and quicklime (CaO) in the acidic soil under wheat–maize rotation system. Treatments included, CK (no fertilization), NP (inorganic nitrogen and P fertilization), NPK (inorganic N, P and potassium fertilization), NPKS (NPK + straw return), NPCa (NP + lime), NPKCa (NPK + lime) and NPKSCa (NPKS + lime). Results showed that, fertilizer without lime treatments, significantly (p ≤ 0.05) decreased soil pH and crop yield, compared to the fertilizer with lime treatments during the period of 2012–2018. Average among years, compared to the CK treatment, wheat grain yield increased by 138%, 213%, 198%, 547%, 688% and 626%, respectively and maize yield increased by 687%, 1887%, 1651%, 2605%, 5047% and 5077%, respectively, under the NP, NPK, NPKS, NPCa, NPKCa and NPKSCa treatments. Lime application significantly increased soil exchangeable base cations (Ca2+and Mg2+) and decreased Al3+cation. Compared to the NP treatment, phosphorus use efficiency (PUE) increased by 220%, 212%, 409%, 807% and 795%, respectively, under the NPK, NPKS, NPCa, NPKCa and NPKSCa treatments. Soil pH showed significant negative relationship with exchangeable Al3+and soil total N. While, soil pH showed significant (p ≤ 0.05) positive relationship with exchangeable Ca2+, PUE and annual crop yield. PUE was highly negatively correlated with soil exchangeable Al3+. In addition, soil exchangeable Ca2+, pH, exchangeable Al3+and available N were the most influencing factors of crop yield. Therefore, we concluded that lime application is an effective strategy to mitigate soil acidification and to increase PUE through increasing exchangeable base cations and reducing the acidic cations for high crop yield in acidic soil.
Genomic investigation of co-targeting tumor immune microenvironment and immune checkpoints in pan-cancer immunotherapy
Authors: Huang Xing , Tang Tianyu , Zhang Gang , Hong Zhengtao , Xu Jian , Yadav Dipesh Kumar , Bai Xueli , Liang Tingbo 
Published: November 2020

AbstractDrugs that target immune checkpoints (ICPs) have become the most popular weapons in cancer immunotherapy; however, they are only beneficial for a small fraction of patients. Accumulating evidence suggests that the tumor immune microenvironment (TIME) plays a critical role in anti-cancer immunity. This study aimed to assess the potential merits and feasibility of combinational targeting ICPs and TIME in cancer immunotherapy. A total of 31 cancer type-specific datasets in TCGA were individually collected by the publicly available web servers for multiple bioinformatic analyses of ICPs and TIME factors. GEPIA was used to calculate the prognostic indexes, STRING was used to construct protein–protein interactions, cBioPortal was used for visualization and comparison of genetic alterations, and TISIDB was used to explore the correlation to tumor-infiltrating lymphocytes (TILs). Intriguingly, TIME factors were identified to have more global coverage and prognostic significance across multiple cancer types compared with ICPs, thus offering more general targetability in clinical therapy. Moreover, TIME factors showed interactive potential with ICPs, and genomic alteration of TIME factors coupled with that of ICPs, at least in pancreatic cancer. Furthermore, TIME factors were found to be significantly associated with TILs, including but not limited to pancreatic cancer. Finally, the clinical significance and translational potential of further combination therapies that incorporate both ICP inhibitors and TIME factor-targeted treatments were discussed. Together, TIME factors are promising immunotherapeutic targets, and a combination strategy of TIME factors-targeted therapies with ICP inhibitors may benefit more cancer patients in the future.
Power‐control and speed‐control modes of a DFIG using adaptive sliding mode type‐2 neuro‐fuzzy for wind energy conversion system
Authors: Moradi Hassan , Yaghobi Hamid , Alinejad‐Beromi Yousef , Bustan Danyal 
Published: November 2020

This study proposes an adaptive sliding mode type‐2 neuro‐fuzzy control scheme for power‐control and speed‐control modes of doubly fed induction generator (DFIG). DFIG‐based wind turbine system operates as variable‐speed wind energy conversion system (WECS) with constant frequency. In the proposed controller design, a sliding mode control (SMC) strategy is used for online training of the parameters of type‐2 fuzzy set (T2FS) membership functions. Due to the uncertainty of the wind speed and variation in parameters in the WECS, an interval T2FS is used in the proposed control scheme. Based on the controller inputs, the SMC adaptive strategy is used to tune the parameters of antecedent and consequent parts of T2FS. These inputs are active and reactive power and rotor speed errors and their time derivative. These inputs fed to the type‐2 neuro‐fuzzy system. The results of simulation for a 1.5 MW DFIG‐based WECS are compared with the classical proportional–integral (PI) controller and type‐1 neuro‐fuzzy controller to validate the effectiveness of the proposed controller in power‐control and speed‐control regions. The results of simulation indicate that, in comparison to the PI and type‐1 neuro‐fuzzy controller, the proposed control scheme has better performance in both power‐control and speed‐control modes.
Optimising and comparing source-extraction tools using objective segmentation quality criteria
Authors: Haigh Caroline , Chamba Nushkia , Venhola Aku , Peletier Reynier , Doorenbos Lars , Watkins Matthew , Wilkinson Michael H. F. 
Published: November 2020

Context. With the growth of the scale, depth, and resolution of astronomical imaging surveys, there is increased need for highly accurate automated detection and extraction of astronomical sources from images. This also means there is a need for objective quality criteria, and automated methods to optimise parameter settings for these software tools.
Aims. We present a comparison of several tools developed to perform this task: namely SExtractor, ProFound, NoiseChisel, and MTObjects. In particular, we focus on evaluating performance in situations that present challenges for detection. For example, faint and diffuse galaxies; extended structures, such as streams; and objects close to bright sources. Furthermore, we develop an automated method to optimise the parameters for the above tools.
Methods. We present four different objective segmentation quality measures, based on precision, recall, and a new measure for the correctly identified area of sources. Bayesian optimisation is used to find optimal parameter settings for each of the four tools when applied to simulated data, for which a ground truth is known. After training, the tools are tested on similar simulated data in order to provide a performance baseline. We then qualitatively assess tool performance on real astronomical images from two different surveys.
Results. We determine that when area is disregarded, all four tools are capable of broadly similar levels of detection completeness, while only NoiseChisel and MTObjects are capable of locating the faint outskirts of objects. MTObjects achieves the highest scores on all tests for all four quality measures, whilst SExtractor obtains the highest speeds. No tool has sufficient speed and accuracy to be well suited to large-scale automated segmentation in its current form.
Eine kurzgefasste Geschichte der Handchirurgie mit Videolink
Authors: Giunta Riccardo E. , Möllhoff Nicholas , Gohritz Andreas , Langer Martin , Lanz Ulrich 
Published: November 2020

ZusammenfassungDie Handchirurgie vereint Kompetenzen der Mikrochirurgie, Frakturheilkunde, Nerven- und Sehnenchirurgie und widmet sich dem im Alltag so essentiellen Funktionsorgan: der Hand. Ein so hochspezielles und bedeutsames Fach fußt auf den Wurzeln wissenschaftlicher Arbeiten und Meilensteinen aus der Vergangenheit. Als Nachtrag zum 58. Kongress der Deutschen Gesellschaft für Handchirurgie (DGH) in München (Tagungspräsident: Univ.-Prof. Dr. R. Giunta), soll dieser kurzgefasste Beitrag gemeinsam mit dem bei der Kongresseröffnung in Ausschnitten gezeigten Video die Entstehung der Handchirurgie von ihren Ursprüngen über Hippokrates, das Mittelalter, die Renaissance, das 18. und 19. Jahrhundert, sowie die zwei Weltkriege zusammenfassen. Bedeutende Persönlichkeiten der jeweiligen zeitlichen Perioden werden dabei vorgestellt. Zusammenfassend entwickelte sich die Handchirurgie aus Fortschritten in der Anatomie, der Sehnenchirurgie, der Nervenchirurgie, und vor allem auch durch die Notwendigkeit einer spezialisierten Versorgung von Verletzungen der oberen Extremität während und nach dem 2. Weltkrieg. Ein fundiertes Verständnis der Geschichte und der Einblick in die Entstehung unseres Faches unterstreicht die Bedeutung unserer täglichen Arbeit als Handchirurgen und schafft neue Anreize für die Weiterentwicklung der Handchirurgie in der Zukunft.Dieser Beitrag erscheint zum 80. Geburtstag von Ulrich Lanz im November 2020.