bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of the first highly selective inhibitor of human lactate dehydrogenase B
Authors: Shibata Sachio , Sogabe Satoshi , Miwa Masanori , Fujimoto Takuya , Takakura Nobuyuki , Naotsuka Akihiko , Kitamura Shuji , Kawamoto Tomohiro , Soga Tomoyoshi 
Published: November 2021

AbstractLactate dehydrogenase (LDH) catalyses the conversion of pyruvate to lactate and NADH to NAD+; it has two isoforms, LDHA and LDHB. LDHA is a promising target for cancer therapy, whereas LDHB is necessary for basal autophagy and cancer cell proliferation in oxidative and glycolytic cancer cells. To the best of our knowledge, selective inhibitors for LDHB have not yet been reported. Here, we developed a high-throughput mass spectrometry screening system using an LDHB enzyme assay by detecting NADH and NAD+. As a result, we identified a small-molecule LDHB selective inhibitor AXKO-0046, an indole derivative. This compound exhibited uncompetitive LDHB inhibition (EC50 = 42 nM). X-ray crystallography revealed that AXKO-0046 bound to the potential allosteric site away from the LDHB catalytic active site, suggesting that targeting the tetramerisation interface of the two dimers is critical for the enzymatic activity. AXKO-0046 and its derivatives can be used to validate LDHB-associated pathways in cancer metabolism.
Factors associated with difficulty in crossing the culprit lesion of acute myocardial infarction
Authors: Ishibashi Shun , Sakakura Kenichi , Asada Satoshi , Taniguchi Yousuke , Jinnouchi Hiroyuki , Tsukui Takunori , Yamamoto Kei , Seguchi Masaru , Wada Hiroshi , Fujita Hideo 
Published: November 2021

AbstractIn percutaneous coronary intervention (PCI) to the culprit lesion of acute myocardial infarction (AMI), unsuccessful guidewire crossing causes immediate poor outcomes. It is important to determine the factors associated with unsuccessful guidewire crossing in AMI lesions. The purpose of this study was to find factors associated with difficulty in crossing the culprit lesion of AMI. We defined the difficult group when the guidewire used to cross the culprit lesion was a polymer jacket type guidewire or a stiff guidewire. We included 937 patients, and divided those into the non-difficult group (n = 876) and the difficult group (n = 61). Proximal reference diameter was significantly smaller in the difficult group than in the non-difficult group (p < 0.001), and degree of calcification was severer in the difficult group than in the non-difficult group (p < 0.001). In the multivariate stepwise logistic regression analysis, proximal reference diameter [odds ratio (OR) 0.313, 95% confidence interval (CI) 0.185–0.529, p < 0.001)], previous PCI (OR 3.065, 95% CI 1.612–5.830, p = 0.001), moderate-severe calcification (OR 4.322, 95% CI 2.354–7.935, p < 0.001), blunt type obstruction (OR 12.646, 95% CI 6.805–23.503, p < 0.001), and the presence of collateral to the culprit lesion (OR 2.110, 95% CI 1.145–3.888, p = 0.017) were significantly associated with difficulty in crossing the culprit lesion. In conclusion, previous PCI, calcification, blunt type obstruction, and the presence of collateral were associated with difficulty in crossing the culprit lesion, whereas proximal reference diameter was inversely associated with difficulty. Our study provides a reference to recognize the difficulty in crossing the culprit lesions of AMI for PCI operators, especially junior operators.
Wolbachia detection in Aedes aegypti using MALDI-TOF MS coupled to artificial intelligence
Authors: Rakotonirina Antsa , Caruzzo Cédric , Ballan Valentine , Kainiu Malia , Marin Marie , Colot Julien , Richard Vincent , Dupont-Rouzeyrol Myrielle , Selmaoui-Folcher Nazha , Pocquet Nicolas 
Published: November 2021

AbstractThe mosquito Aedes aegypti is the major vector of arboviruses like dengue, Zika and chikungunya viruses. Attempts to reduce arboviruses emergence focusing on Ae. aegypti control has proven challenging due to the increase of insecticide resistances. An emerging strategy which consists of releasing Ae. aegypti artificially infected with Wolbachia in natural mosquito populations is currently being developed. The monitoring of Wolbachia-positive Ae. aegypti in the field is performed in order to ensure the program effectiveness. Here, the reliability of the Matrix‑Assisted Laser Desorption Ionization‑Time Of Flight (MALDI‑TOF) coupled with the machine learning methods like Convolutional Neural Network (CNN) to detect Wolbachia in field Ae. aegypti was assessed for the first time. For this purpose, laboratory reared and field Ae. aegypti were analyzed. The results showed that the CNN recognized Ae. aegypti spectral patterns associated with Wolbachia-infection. The MALDI-TOF coupled with the CNN (sensitivity = 93%, specificity = 99%, accuracy = 97%) was more efficient than the loop-mediated isothermal amplification (LAMP), and as efficient as qPCR for Wolbachia detection. It therefore represents an interesting method to evaluate the prevalence of Wolbachia in field Ae. aegypti mosquitoes.
High molecular weight glutenin gene diversity in Aegilops tauschii demonstrates unique origin of superior wheat quality
Authors: Delorean Emily , Gao Liangliang , Lopez Jose Fausto Cervantes ,   Open Wild Wheat Consortium, Mehrabi Ali , Bentley Alison , Sharon Amir , Keller Beat , Wulff Brande , Steffenson Brian , Steuernagel Burkhard , Sansaloni Carolina Paola , Liu Deng-Cai , Lagudah Evans , Nasyrova Firuza , Brown-Guedira Gina , Sela Hanan , Dvorak Jan , Poland Jesse , Mayer Klaus , Krasileva Ksenia , Gaurav Kumar , Mao Long , Caccamo Mario , Mascher Martin , Luo Mingcheng , Chhuneja Parveen , Davey Rob , Faris Justin , Xu Steven , Nicholson Paul , Chayut Noam , Ambrose Mike , Rawat Nidhi , Tiwari Vijay K. , Wulff Brande B. H. , Ibba Maria Itria , Poland Jesse 
Published: November 2021

AbstractCentral to the diversity of wheat products was the origin of hexaploid bread wheat, which added the D-genome ofAegilops tauschiito tetraploid wheat giving rise to superior dough properties in leavened breads. The polyploidization, however, imposed a genetic bottleneck, with only limited diversity introduced in the wheat D-subgenome. To understand genetic variants for quality, we sequenced 273 accessions spanning the known diversity ofAe. tauschii. We discovered 45 haplotypes inGlu-D1, a major determinant of quality, relative to the two predominant haplotypes in wheat. The wheat allele2 + 12was found inAe. tauschiiLineage 2, the donor of the wheat D-subgenome. Conversely, the superior quality wheat allele5 + 10allele originated in Lineage 3, a recently characterized lineage ofAe. tauschii, showing a unique origin of this important allele. These two wheat alleles were also quite similar relative to the total observed molecular diversity inAe. tauschiiatGlu-D1.Ae. tauschiiis thus a reservoir for uniqueGlu-D1alleles and provides the genomic resource to begin utilizing new alleles for end-use quality improvement in wheat breeding programs.
Design principles and biological applications of red-emissive two-photon carbon dots
Authors: Lesani Pooria , Mohamad Hadi Aina Hazeera , Lu Zufu , Palomba Stefano , New Elizabeth J. , Zreiqat Hala 
Published: November 2021

AbstractCarbon dots have been gaining attention in the field of nanobiotechnology due to their superior photostability, high water solubility, ease of synthesis and surface functionalization, chemical inertness, low toxicity, and excellent biocompatibility. They also exhibit good two-photon absorption and unique tunable optical properties across a wide range of wavelengths, from ultraviolet to near infrared endowing them with potential for a variety of biological applications. Recently, there has been a growing interest in the synthesis and development of red-emissive two-photon carbon dots. Here we present recent progress in the design requirements for red-emissive two-photon carbon dots, and review current state-of-the-art systems, covering their applications in bioimaging, biosensing, and photothermal and photodynamic therapy.
Error Refactor loss based on error analysis in image classification
Authors: Yu Xiaoyu , Chen Yinglu , Zhou Guofu , Liu Yan , Li Fuchao , Wang Zhifei 
Published: November 2021

AbstractThe loss function is a criterion to evaluate the learning quality of a deep convolutional neural network, which represents the gap between prediction and ground truth. However, as the most commonly used loss function in image classification tasks, Cross‐Entropy loss does not encourage the model to distinguish the similarity between features. In this work, the authors investigate inter‐class separability of similar features learnt by convolutional networks and propose a loss function called Error Refactor Loss (ER‐Loss). ER‐Loss is based on the error caused by convolutional networks; it can improve the inter‐class separability and is simple to implement and can easily replace the Cross‐Entropy loss. Compared with softmax loss, ER‐Loss adds a dynamic penalty item which can help ER‐Loss monitor the actual situation of model training and adjust the value of the penalty item according to model training. The ER‐Loss on CIFAR100 and part of ImageNet ILSVRC 2012 is evaluated and the experimental result showed that the ER‐Loss can improve the accuracy of the model.
Statistical properties of Hα jets in the polar coronal hole and their implications in coronal activities
Authors: Qi Youqian , Huang Zhenghua , Xia Lidong , Fu Hui , Guo Mingzhe , Hou Zhenyong , Liu Weixin , Sun Mingzhe , Liu Dayang 
Published: November 2021

Context. Dynamic features such as chromospheric jets, transition region network jets, coronal plumes, and coronal jets are abundant in the network regions of polar coronal holes on the Sun.
Aims. We investigate the relationship between chromospheric jets and coronal activities, such as coronal plumes and jets.
Methods. We analyzed observations of a polar coronal hole including the filtergrams taken by the New Vacuum Solar Telescope at the Hα − 0.6 Å to study the Hα jets, as well as the Atmospheric Imaging Assembly 171 Å images to follow the evolution of coronal activities.
Results. The Hα jets are persistent in the network regions, with only some regions (denoted as R1–R5) rooted in discernible coronal plumes. With an automated method, we identified and tracked 1320 Hα jets in the network regions. We find that the average lifetime, height, and ascending speed of the Hα jets are 75.38 s, 2.67 Mm, 65.60 km s−1, respectively. The Hα jets rooted in R1–R5 are higher and faster than those in the others. We also find that propagating disturbances (PDs) in coronal plumes have a close connection with the Hα jets. The speeds of 28 out of 29 Hα jets associated with PDs are ≳50 km s−1. In the case of a coronal jet, we find that the speeds in both the coronal jet and the Hα jet are over 150 km s−1, suggesting that both cool and hot jets can be coupled.
Conclusions. Based on our analyses, it is evident that more dynamic Hα jets could release their energy to the corona, which might be the result of a Kelvin-Helmholtz instability developing or that of small-scale magnetic activities. We suggest that chromospheric jets, transition region network jets, and ray-like features in the corona are coherent phenomena that serve as important vehicles for cycling energy and mass in the solar atmosphere.
Modeling the Mg I from the NUV to MIR
Authors: Peralta J. I. , Vieytes M. C. , Mendez A. M. P. , Mitnik D. M. 
Published: November 2021

Context. Semi-empirical models of the solar atmosphere are used to study the radiative environment of any planet in our Solar System. There is a need for reliable atomic data for neutral atoms and ions in the atmosphere to obtain improved calculated spectra. Atomic parameters are crucial to computing the correct population of elements through the whole stellar atmosphere. Although there is very good agreement between the observed and calculated spectra for the Sun, there is still a mismatch in several spectral ranges due to the lack of atomic data and the inaccuracies thereof, particularly for neutrals such as Mg I.
Aims. To represent many spectral lines of Mg I from the near-ultraviolet to the mid-infrared correctly, it is necessary to add and update the atomic data involved in the atomic processes that drive their formation.
Methods. The improvements made to the Mg I atomic model are as follows: i) 127 strong lines, including their broadening data, were added. ii) To obtain these new lines, we increased the number of energy levels from 26 to 85. iii) Photoionization cross-section parameters were added and updated. iv) Effective collision strength (ϒij) parameters were updated for the first 25 levels using the existing data from the convergent close-coupling calculations. One of the most significant changes in our model is given by the new ϒij parameters for transitions involving levels between 26 and 54, which were computed with a multiconfiguration Breit–Pauli distorted-wave (DW) method. For transitions involving superlevels, we calculated the ϒij parameters with the usual semi-empirical formulas.
Results. More than 100 transitions were added to our calculations, increasing our capability of reproducing important features observed in the solar spectra. We found a remarkable improvement in matching the solar spectra for wavelengths higher than 30 000 Å when our new DW ϒij data were used in the model.
A simplified rapid-quench multi-anvil technique
Authors: Bondar Dmitry , Fei Hongzhan , Withers Anthony C. , Ishii Takayuki , Chanyshev Artem , Katsura Tomoo 
Published: November 2021

We report a new rapid-quench technique for the Kawai-type multi-anvil press: several important improvements were made to our previous design. As a result, we are able to routinely quench melts with low glass-forming ability and form glasses. Owing to the use of 3D-printed parts to supply the coolant, the new design is easier to assemble and demonstrates better temperature stability and cooling rate. It was also found that the cooling rate is both pressure- and temperature-dependent. The cooling rate increases with increasing pressure from 6700 °C/s at 1 GPa to 8200 °C/s at 5.5 GPa and decreases with increasing temperature at a rate of 550 °C s−1/100 °C. Taking these dependencies into account, the new rapid-quench design produces more than 15% higher cooling rate compared to the previous design. Moreover, enhancing coolant circulation, which was achieved by using tapered inner anvils with holes, additionally increases the cooling rate by about 4%. As the structure of the rapid-quench assembly differs dramatically from other existing designs, pressure calibration and temperature distribution in the experimental cell and sample capsule were determined for the first time. It was found that the first 0.6 MN of press load is not used to generate pressure due to the hard tungsten components in the assembly. At the current state-of-the-art, it is possible to routinely reach a pressure of 9 GPa and a temperature of 2200 K with the temperature variation not exceeding 70 K within the sample capsule.
Cryo-EM structures of PI3Kα reveal conformational changes during inhibition and activation
Authors: Liu Xiao , Yang Su , Hart Jonathan R. , Xu Yingna , Zou Xinyu , Zhang Huibing , Zhou Qingtong , Xia Tian , Zhang Yan , Yang Dehua , Wang Ming-Wei , Vogt Peter K. 
Published: November 2021

Significance
Phosphoinositide 3-kinases (PI3Ks) are of critical importance in cell signaling and can function as drivers of disease. Information on the PI3K structure is essential for an understanding of the function of these proteins and for the identification of specific and effective small-molecule inhibitors. Here we present a single-particle cryo-electron microscopy (cryo-EM) analysis of PI3Kα, the dimer consisting of the p110α catalytic subunit bound to the p85α regulatory subunit. We investigated three conformational states of PI3Kα: the unbound dimer, the dimer bound to the isoform-specific inhibitor BYL-719, and the dimer associated with an activating phosphopeptide. Each of these conformations reveals specific structural features that provide insights into conformation-associated functions.
Thermochronologic perspectives on the deep-time evolution of the deep biosphere
Authors: Drake Henrik , Reiners Peter W. 
Published: November 2021

Significance
The Earth’s deep biosphere is one of the least explored and understood environments. It hosts microbial lineages that are of interest for understanding the origin and evolution of life on our planet. Understanding the history of these microbial communities requires assessing the complex evolution of habitable conditions. This study presents the first thermochronological perspective on the habitability of Earth’s Precambrian cratons through time and suggests that the longest record of continuous habitability to the present does not stretch much beyond 1 billion years. This thermochronologic approach provides context for prospecting and interpreting the little-explored geologic record of the deep biosphere of Earth’s cratons and points to candidate areas for the oldest records of subsurface microorganisms.
Quantifying contributions of natural variability and anthropogenic forcings on increased fire weather risk over the western United States
Authors: Zhuang Yizhou , Fu Rong , Santer Benjamin D. , Dickinson Robert E. , Hall Alex 
Published: November 2021

Significance
The western United States (WUS) has experienced a rapid increase of fire weather (as indicated by vapor pressure deficit, VPD) in recent decades, especially in the warm season. However, the extent to which an increase of VPD is due to natural variability or anthropogenic warming has been unclear. Our observation-based estimate suggests ∼one-third of the VPD trend is attributable to natural variability of atmospheric circulation, whereas ∼two-thirds is explained by anthropogenic warming. In addition, climate models attribute ∼90% of the VPD trend to anthropogenic warming. Both estimates suggest that anthropogenic warming is the main cause for increasing fire weather and provide a likely range for the true anthropogenic contribution to the WUS trend in VPD.
Gate-tunable magnetoresistance in six-septuple-layer MnBi2Te4
Authors: Li Yaoxin , Liu Chang , Wang Yongchao , Li Hao , Wu Yang , Zhang Jinsong , Wang Yayu 
Published: November 2021

Abstract
The recently discovered antiferromagnetic topological insulator MnBi2Te4 hosts many exotic topological quantum phases such as the axion insulator and the Chern insulator. Here we report on systematic gate-voltage-dependent magneto-transport studies in six-septuple-layer MnBi2Te4. In the p-type carrier regime, we observe positive linear magnetoresistance (MR) when MnBi2Te4 is polarized in the ferromagnetic state by an out-of-plane magnetic field. Whereas in the n-type regime, distinct negative MR behaviors are observed. The behaviors of magnetoresistance in both regimes are highly robust against temperature up to the Néel temperature. Within the antiferromagnetic regime, the behavior of MR exhibits a transition from negative to positive under the control of gate voltage. The boundaries of the MR phase diagram can be explicitly marked by the gate-voltage-independent magnetic fields that characterize the processes of the spin-flop transition. The rich transport phenomena demonstrate the intricate interplay between topology, magnetism and dimensionality in MnBi2Te4.
Evidence of symmetry lowering in antiferromagnetic metal TmB12 with dynamic charge stripes
Authors: Azarevich A , Glushkov V , Demishev S , Bogach A , Voronov V , Gavrilkin S , Shitsevalova N , Filipov V , Gabáni S , Kačmarčík J , Flachbart K , Sluchanko N 
Published: November 2021

Abstract
Precise angle-resolved magnetoresistance (ARMR) and magnetization measurements have revealed (i) strong charge transport and magnetic anisotropy and (ii) emergence of a huge number of magnetic phases in the ground state of isotopically 11B-enriched single crystals of TmB12 antiferromagnetic (AF) metal with fcc crystal structure and dynamic charge stripes. We analyze for the first time the angular H–φ phase diagrams of AF state of Tm11B12 reconstructed from experimental ARMR and magnetization data arguing that the symmetry lowering leads to the appearance of several radial phase boundaries between different phases in the AF state. It is proposed that the suppression of the indirect Ruderman–Kittel–Kasuya–Yosida (RKKY) exchange along ⟨110⟩ directions between nearest neighboring magnetic moments of Tm3+ ions and subsequent redistribution of conduction electrons to quantum fluctuations of the electron density (dynamic stripes) are the main factors responsible for the anisotropy. Essential (more than 25% at T = 2 K) anisotropy of the Neel field in the (110) plane was found in Tm11B12 unlike to isotropic AF–P boundary in the H–φ phase diagrams of Ho11B12. Magnetoresistance components are discussed in terms of charge carrier scattering on the spin density wave, itinerant ferromagnetic nano-domains and on-site Tm3+ spin fluctuations.
Monte-Carlo modelling to demonstrate the influence of alternative flow reference techniques on annual mass emission uncertainty
Authors: Smith T O M , Robinson R A , Coleman M D 
Published: November 2021

Abstract
Industrial emissions into the atmosphere are quantified by measuring the concentration and flow rate in a duct or stack prior to release. These measurements are combined to produce a mass emission which is reported to the European Pollutant Release and Transfer Register. These measurements have to be made according to standards to ensure that they are consistent and accurate. Uncertainty limits are set in relevant EU legislation which must be adhered to. The standard for flow measurement, EN ISO 16911, is in two parts covering manual reference methods and automated measuring systems (AMS). The former outlines six validated methods for calibrating an AMS, while the later outlines the quality control system to be followed to meet the requirements of the legislation. However the standard does not provide consistent information on the impact of the different calibration methods on the uncertainty of the reported emissions. Here we model a system monitoring stack flow and pollutant concentration, including quality control procedures in EN ISO 16911. Several alternative reference methods are modelled to compare the effects of using these different techniques for calibration on the uncertainty of reported annual mass emissions. In a low uncertainty regime the L- and S-type Pitot provide the best performance for both constant and variable flows, however in higher uncertainty regimes all the techniques led to a bias that would lead to misreporting of emissions. Uncertainty information on the techniques is not equally characterised, however, this information represents the best current knowledge of these uncertainties in the emissions community and so the comparisons reported here are all made with the best knowledge available.