bluuebunny/crossref_metadata_2025 huggingface dataset:
RETRACTED ARTICLE: Human induced pluripotent stem cell-derived platelets loaded with lapatinib effectively target HER2+ breast cancer metastasis to the brain
Authors: Bhan Arunoday , Ansari Khairul , Chen Mike Y. , Jandial Rahul
Published: October 2021

Prognosis of patients with HER2+ breast-to-brain-metastasis (BBM) is dismal even after current standard-of-care treatments, including surgical resection, whole-brain radiation, and systemic chemotherapy. Radiation and systemic chemotherapies can also induce cytotoxicity, leading to significant side effects. Studies indicate that donor-derived platelets can serve as immune-compatible drug carriers that interact with and deliver drugs to cancer cells with fewer side effects, making them a promising therapeutic option with enhanced antitumor activity. Moreover, human induced pluripotent stem cells (hiPSCs) provide a potentially renewable source of clinical-grade transfusable platelets that can be drug-loaded to complement the supply of donor-derived platelets. Here, we describe methods for ex vivo generation of megakaryocytes (MKs) and functional platelets from hiPSCs (hiPSC-platelets) in a scalable fashion. We then loaded hiPSC-platelets with lapatinib and infused them into BBM tumor-bearing NOD/SCID mouse models. Such treatment significantly increased intracellular lapatinib accumulation in BBMs in vivo, potentially via tumor cell-induced activation/aggregation. Lapatinib-loaded hiPSC-platelets exhibited normal morphology and function and released lapatinib pH-dependently. Importantly, lapatinib delivery to BBM cells via hiPSC-platelets inhibited tumor growth and prolonged survival of tumor-bearing mice. Overall, use of lapatinib-loaded hiPSC-platelets effectively reduced adverse effects of free lapatinib and enhanced its therapeutic efficacy, suggesting that they represent a novel means to deliver chemotherapeutic drugs as treatment for BBM.
Assessing signals of selection and historical demography to develop conservation strategies in the Chilean emblematic Araucaria araucana
Authors: Fuentes Glenda , González Fidelina , Saavedra Javier , López-Sepúlveda Patricio , Victoriano Pedro F. , Stuessy Tod F. , Ruiz-Ponce Eduardo
Published: October 2021

Loss of genetic diversity reduces the ability of species to evolve and respond to environmental change. Araucaria araucana is an emblematic conifer species from southern South America, with important ethnic value for the Mapuche people (Pehuenche); the Chilean Government has catalogued its conservation status as vulnerable. Climatic fluctuations were potentially a major impact in the genetic variation within many tree species. In this context, the restricted geographic distribution of A. araucana in Chile appears to be a consequence of the Last Glacial Maximum (LGM). During the past two centuries, strong human intervention has also affected the geographical distribution and population sizes of A. araucana. Reduction of population size may cause loss of genetic diversity, which could affect frequency of adaptive loci. The aims of this study were to know the existence of potential loci under selection and populations with genetic, demographic disequilibrium in the Chilean distribution of A. araucana. Based on 268 polymorphic AFLP loci, we have investigated potential loci under selection and genetic, demographic disequilibrium within seven Chilean populations of Araucaria araucana. Correlation of 41 outlier loci with the environmental variables of precipitation and temperature reveals signatures of selection, whereas 227 neutral loci provide estimates of demographic equilibrium and genetic population structure. Three populations are recommended as priorities for conservation.
Empirically classifying network mechanisms
Authors: Langendorf Ryan E. , Burgess Matthew G.
Published: October 2021

Network data are often explained by assuming a generating mechanism and estimating related parameters. Without a way to test the relevance of assumed mechanisms, conclusions from such models may be misleading. Here we introduce a simple empirical approach to mechanistically classify arbitrary network data as originating from any of a set of candidate mechanisms or none of them. We tested our approach on simulated data from five of the most widely studied network mechanisms, and found it to be highly accurate. We then tested 1284 empirical networks spanning 17 different kinds of systems against these five widely studied mechanisms. We found that 387 (30%) of these empirical networks were classified as unlike any of the mechanisms, and only 1% or fewer of the networks classified as each of the mechanisms for which our approach was most sensitive. Based on this, we use Bayes’ theorem to show that most of the 70% of empirical networks our approach classified as a mechanism could be false positives, because of the high sensitivity required of a test to detect rarely occurring mechanisms. Thus, it is possible that very few of our empirical networks are described by any of these five widely studied mechanisms. Additionally, 93 networks (7%) were classified as plausibly being governed by each of multiple mechanisms. This raises the possibility that some systems are governed by mixtures of mechanisms. We show that mixtures are often unidentifiable because different mixtures can produce structurally equivalent networks, but that we can still accurately predict out-of-sample functional properties.
Angiogenic effects of cell therapy within a biomaterial scaffold in a rat hind limb ischemia model
Authors: Amani Saeede , Shahrooz Rasoul , Hobbenaghi Rahim , Mohammadi Rahim , Baradar Khoshfetrat Ali , Karimi Ali , Bakhtiari Zahra , Adcock Ian M. , Mortaz Esmaeil
Published: October 2021

Critical limb ischemia (CLI) is a life- and limb-threatening condition affecting 1–10% of humans worldwide with peripheral arterial disease. Cellular therapies, such as bone marrow-derived mesenchymal stem cells (MSCs) have been used for the treatment of CLI. However, little information is available regarding the angiogenic potency of MSCs and mast cells (MC) in angiogenesis. The aim of this study was to evaluate the ability of MCs and MSCs to induce angiogenesis in a rat model of ischemic hind limb injury on a background of a tissue engineered hydrogel scaffold. Thirty rats were randomly divided into six control and experimental groups as follows: (a) Control healthy (b) Ischemic positive control with right femoral artery transection, (c) ischemia with hydrogel scaffold, (d) ischemia with hydrogel plus MSC, (e) ischemia with hydrogel plus MC and (f) ischemia with hydrogel plus MSC and MCs. 106 of each cell type, isolated from bone marrow stroma, was injected into the transected artery used to induce hind limb ischemia. The other hind limb served as a non-ischemic control. After 14 days, capillary density, vascular diameter, histomorphometry and immunohistochemistry at the transected location and in gastrocnemius muscles were evaluated. Capillary density and number of blood vessels in the region of the femoral artery transection in animals receiving MSCs and MCs was increased compared to control groups (P < 0.05). Generally the effect of MCs and MSCs was similar although the combined MC/MSC therapy resulted in a reduced, rather than enhanced, effect. In the gastrocnemius muscle, immunohistochemical and histomorphometric observation showed a great ratio of capillaries to muscle fibers in all the cell-receiving groups (P < 0.05). The data indicates that the combination of hydrogel and cell therapy generates a greater angiogenic potential at the ischemic site than cell therapy or hydrogels alone.
Biosynthesis of iron oxide magnetic nanoparticles using clinically isolated Pseudomonas aeruginosa
Authors: Khan Abid Ali , Khan Sana , Khan Suhaib , Rentschler Simone , Laufer Stefan , Deigner Hans-Peter
Published: October 2021

Magnetotactic bacteria are microscale complex natural systems that synthesize magnetic nanoparticles through biologically controlled mineralization. Nanoparticles produced by this process are biocompatible due to the presence of surrounding membranes. The mechanism controlling synthesis is cost-effective and is executed by complex genomes (operons). The results are monodispersed magnetic nanoparticles displaying advantages over polydispersed ones synthesized by physical and chemical methods. In this work, we isolated Pseudomonas aeruginosa from clinical samples and demonstrated its ability to biosynthesize magnetic nanoparticles. P. aeruginosa was thrived in a carbon-minimal medium supplemented with iron at low pH. The cells aligned parallel to a magnetic field, confirming their magnetic properties. The magnetic nanoparticles were extracted, purified, and characterized using electron microscopy, magnetometry, dynamic light scattering, and X-ray diffraction. This work represents the first isolation of a magnetotactic bacterium from clinical samples. The aerobic nature of these bacteria allows them to be easily cultured under laboratory conditions, unlike their well-known microaerophilic counterparts. The biosynthesized magnetic nanoparticles can be used in many applications, including magnetic resonance imaging, diagnostics, and therapeutics (i.e., magnetic hyperthermia).
Long-term stability predictions of therapeutic monoclonal antibodies in solution using Arrhenius-based kinetics
Authors: Kuzman Drago , Bunc Marko , Ravnik Miha , Reiter Fritz , Žagar Lan , Bončina Matjaž
Published: October 2021

Long-term stability of monoclonal antibodies to be used as biologics is a key aspect in their development. Therefore, its possible early prediction from accelerated stability studies is of major interest, despite currently being regarded as not sufficiently robust. In this work, using a combination of accelerated stability studies (up to 6 months) and first order degradation kinetic model, we are able to predict the long-term stability (up to 3 years) of multiple monoclonal antibody formulations. More specifically, we can robustly predict the long-term stability behaviour of a protein at the intended storage condition (5 °C), based on up to six months of data obtained for multiple quality attributes from different temperatures, usually from intended (5 °C), accelerated (25 °C) and stress conditions (40 °C). We have performed stability studies and evaluated the stability data of several mAbs including IgG1, IgG2, and fusion proteins, and validated our model by overlaying the 95% prediction interval and experimental stability data from up to 36 months. We demonstrated improved robustness, speed and accuracy of kinetic long-term stability prediction as compared to classical linear extrapolation used today, which justifies long-term stability prediction and shelf-life extrapolation for some biologics such as monoclonal antibodies. This work aims to contribute towards further development and refinement of the regulatory landscape that could steer toward allowing extrapolation for biologics during the developmental phase, clinical phase, and also in marketing authorisation applications, as already established today for small molecules.
Genome sequencing of turmeric provides evolutionary insights into its medicinal properties
Authors: Chakraborty Abhisek , Mahajan Shruti , Jaiswal Shubham K. , Sharma Vineet K.
Published: October 2021

Curcuma longa, or turmeric, is traditionally known for its immense medicinal properties and has diverse therapeutic applications. However, the absence of a reference genome sequence is a limiting factor in understanding the genomic basis of the origin of its medicinal properties. In this study, we present the draft genome sequence of C. longa, belonging to Zingiberaceae plant family, constructed using 10x Genomics linked reads and Oxford Nanopore long reads. For comprehensive gene set prediction and for insights into its gene expression, transcriptome sequencing of leaf tissue was also performed. The draft genome assembly had a size of 1.02 Gbp with ~70% repetitive sequences, and contained 50,401 coding gene sequences. The phylogenetic position of C. longa was resolved through a comprehensive genome-wide analysis including 16 other plant species. Using 5,388 orthogroups, the comparative evolutionary analysis performed across 17 species including C. longa revealed evolution in genes associated with secondary metabolism, plant phytohormones signaling, and various biotic and abiotic stress tolerance responses. These mechanisms are crucial for perennial and rhizomatous plants such as C. longa for defense and environmental stress tolerance via production of secondary metabolites, which are associated with the wide range of medicinal properties in C. longa.
The loss of DHX15 impairs endothelial energy metabolism, lymphatic drainage and tumor metastasis in mice
Authors: Ribera Jordi , Portolés Irene , Córdoba-Jover Bernat , Rodríguez-Vita Juan , Casals Gregori , González-de la Presa Bernardino , Graupera Mariona , Solsona-Vilarrasa Estel , Garcia-Ruiz Carmen , Fernández-Checa José C. , Soria Guadalupe , Tudela Raúl , Esteve-Codina Anna , Espadas Guadalupe , Sabidó Eduard , Jiménez Wladimiro , Sessa William C. , Morales-Ruiz Manuel
Published: October 2021

DHX15 is a downstream substrate for Akt1, which is involved in key cellular processes affecting vascular biology. Here, we explored the vascular regulatory function of DHX15. Homozygous DHX15 gene deficiency was lethal in mouse and zebrafish embryos. DHX15—/— zebrafish also showed downregulation of VEGF-C and reduced formation of lymphatic structures during development. DHX15+/− mice depicted lower vascular density and impaired lymphatic function postnatally. RNAseq and proteome analysis of DHX15 silenced endothelial cells revealed differential expression of genes involved in the metabolism of ATP biosynthesis. The validation of these results demonstrated a lower activity of the Complex I in the mitochondrial membrane of endothelial cells, resulting in lower intracellular ATP production and lower oxygen consumption. After injection of syngeneic LLC1 tumor cells, DHX15+/− mice showed partially inhibited primary tumor growth and reduced lung metastasis. Our results revealed an important role of DHX15 in vascular physiology and pave a new way to explore its potential use as a therapeutical target for metastasis treatment.
Fragment-based design of selective GPCR ligands guided by free energy simulations
Authors: Matricon Pierre , Vo Duc Duy , Gao Zhan-Guo , Kihlberg Jan , Jacobson Kenneth A. , Carlsson Jens
Published: October 2021

Fragment-based drug discovery relies on successful optimization of weakly binding ligands for affinity and selectivity.
Reactive events at the graphene oxide–water interface
Authors: David Rolf , Kumar Revati
Published: October 2021

The species formed at the graphene oxide–water interface.
Pressure-induced superelastic behaviour of isonicotinamide
Authors: Jones Eleanor C. L. , Bebiano Suse S. , Ward Martin R. , Bimbo Luis M. , Oswald Iain D. H.
Published: October 2021

The dynamic behaviour of isonicotinamide is induced by pressure and observed using X-ray diffraction to elucidate a potential molecular mechanism.
New insights into a hydrogen bond: hyper-Raman spectroscopy of DMSO-water solution
Authors: Marble Christopher B. , Xu Xingqi , Petrov Georgi I. , Wang Dawei , Yakovlev Vladislav V.
Published: October 2021

Hydrogen bonding plays an essential role in biological processes by stabilizing proteins and lipid structures as well as controlling the speed of enzyme catalyzed reactions.
Optical properties of amorphous carbon determined by reflection electron energy loss spectroscopy spectra
Authors: Yang L. H. , Gong J. M. , Sulyok A. , Menyhárd M. , Sáfrán G. , Tőkési K. , Da B. , Ding Z. J.
Published: October 2021

The optical properties of amorphous carbon are determined from the combined experimental and theoretical investigations of REELS spectra. The high accuracy of the optical constants is justified with the ps- and f-sum rules.
The catalytic reaction mechanism of tyrosylprotein sulfotransferase-1
Authors: Šmak Pavel , Tvaroška Igor , Koča Jaroslav
Published: October 2021

The reaction mechanism of TPST-1 was examined using two QM/MM methods: ab initio CPMD metadynamics and potential energy scan. The results support the SN2 reaction mechanism and show the role of the different amino acids in the catalytic mechanism.
Traveling waves propagating through coupled microbeads in the Belousov–Zhabotinsky reaction
Authors: Kuze Masakazu , Kitahata Hiroyuki , Nakata Satoshi
Published: October 2021

We examined two types of coupling of the two beads: 2D-3D and 3D-3D couplings. The propagation direction of the TW for the slaved oscillator in the 2D-3D coupling was different from that in the 3D-3D coupling.
Alkanolamines as Dual Functional Solvents for Biomass Deconstruction and Bioenergy Production
Authors: Achinivu Ezinne C. , Frank Skye , Baral Nawa Raj , Das Lalitendu , Mohan Mood , Otoupal Peter , Shabir Emara , Utan Sean , Scown Corinne D. , Simmons Blake A. , Gladden John
Published: October 2021

This work demonstrates the feasibility of applying dual functional solvents called alkanolamines for biomass pretreatment, deconstruction, and conversion into biofuels.
Formal metal-free γ-arylation of 1,3-dicarbonyl compounds via an isomerisation/1,4-addition/[3,3]-sigmatropic rearrangement sequence
Authors: Lu Shi-Chao , Wen Fu-Qiang , Guan Xi-Dong
Published: October 2021

A metal-free redox arylation of alkynes with sulfoxides has been developed to provide unconventional access to diverse γ-arylated 1,3-dicarbonyl compounds in an atom-economical manner.
Organic single crystals of charge-transfer complexes: model systems for the study of donor/acceptor interactions
Authors: Goetz Katelyn P. , Iqbal Hamna F. , Bittle Emily G. , Hacker Christina A. , Pookpanratana Sujitra , Jurchescu Oana D.
Published: October 2021

Polymorphism in organic charge-transfer complexes induces a variation in electronic structure and sub-gap states which directly impact device physics. Single crystals are highly ordered, allowing for the measurement with reduced extrinsic factors.
Achieving an Ohmic contact in graphene-based van der Waals heterostructures by intrinsic defects and the inner polarized electric field of Janus AlGaSSe
Authors: Wang Jiaming , Zhang Dongxue , Zhou Baozeng
Published: October 2021

The Schottky barrier height is mainly affected by the synergistic action of the inner polarization electric field of Janus AlGaSSe and the 2D/2D heterostructure.
Interface engineering and integration of two-dimensional polymeric and inorganic materials for advanced hybrid structures
Authors: Kasbe Pratik S. , Luo Xiongyu , Xu Weinan
Published: October 2021

Recent progress and future directions in the creation of hybrid structures based on 2D polymers and inorganic 2D materials are discussed.
A Pt3 cluster anchored on a C2N monolayer as an efficient catalyst for electrochemical reduction of nitrobenzene to aniline: a computational study
Authors: Wang Shuang , Wang Zhongxu , Shang Yongchen , Tian Yu , Cai Qinghai , Li Zhenxing , Zhao Jingxiang
Published: October 2021

A Pt3 cluster anchored on h-C2N exhibits ultra-high catalytic activity towards nitrobenzene reduction with a small limiting potential (−0.19 V).
Multivalent resorcinarene clusters decorated with DAB-1 inhitopes: targeting Golgi α-mannosidase fromDrosophila melanogaster
Authors: Della Sala Paolo , Vanni Costanza , Talotta Carmen , Di Marino Luca , Matassini Camilla , Goti Andrea , Neri Placido , Šesták Sergej , Cardona Francesca , Gaeta Carmine
Published: October 2021

Resorcinarene@DAB-1 clusters show a remarkable multivalent effect towards GMIIb over other α-mannosidases, due to a rebinding mechanism: two DAB-1 units of the cluster bind the two Zn-sites of the dimeric protein in an alternate way.
Reconfiguring workup steps in multi-cycle extractive bioconversion for sustainable fatty alcohol production: a process engineering approach
Authors: Buttranon Supacha , Jaroensuk Juthamas , Chaichol Patchara , Chaiyen Pimchai , Weeranoppanant Nopphon
Published: October 2021

Reconfiguring workup steps between cycles of extractive bioconversion led to fatty alcohol production with improved productivity and sustainability.
Novel single pass biogas-to-diesel process using a Fischer–Tropsch catalyst designed for high conversion
Authors: Tucker Chelsea L. , Bordoloi Ankur , van Steen Eric
Published: October 2021

Single pass Fischer–Tropsch biogas-to-diesel process for off-grid fuel production in remote regions. Diesel yields optimized by operating at a higher-than-industrial CO conversions of 80% with a manganese-promoted cobalt catalyst.
Few‐shot learning with relation propagation and constraint
Authors: Gong Huiyun , Wang Shuo , Zhao Xiaowei , Yan Yifan , Ma Yuqing , Liu Wei , Liu Xianglong
Published: October 2021

Previous deep learning methods usually required large‐scale annotated data, which is computationally exhaustive and unrealistic in certain scenarios. Therefore, few‐shot learning, where only a few annotated training images are available for training, has attracted increasing attention these days, showing huge potential in practical applications, such as portable equipment or security inspection, and so on. However, current few‐shot learning methods usually neglect the valuable semantic correlations between samples, thereby failing in extracting discriminating relations to achieve accurate predictive results. In this work, extending on a recent state‐of‐the‐art few‐shot learning method, transductive relation‐propagation network (TRPN), which considers the correlations between training samples, a constrained relation‐propagation network is proposed to further regularise the distilled correlations and thus achieve favourable few‐shot classification performance. The proposed framework contains three main components, namely preprocess module, relational propagation module, and relation constraint module. First, sample features are extracted and a relation graph node is constructed by treating the relation of each support–query pair as a graph node in the preprocess module. After that, in the relation propagation module (RPM), the valuable information of support–query pairs is modelled and propagated to directly generate the relational representations for further prediction. Then, a relation constraint module is introduced to regularise the relational representations and make it consistent with the ground‐truth relations as much as possible. With the guidance of the effective RPM and relation constraint module, the relational representations of the support–query pairs are distinguishable and thus can achieve accurate predictive results. Comprehensive experiments conducted on widely used benchmarks validate the effectiveness of our method compared to state‐of‐the‐art few‐shot classification approaches.
Direction of arrival estimation based on modified fast off‐grid L1‐SVD
Authors: Xu Xiangjun , Shen Mingwei , Wu Xiaohuan , Wu Di , Zhu Daiyin
Published: October 2021

This paper proposes a modified fast off‐grid L1‐SVD (M‐FOGL1SVD) method for direction of arrival (DOA) estimation. Unlike FOGL1SVD, after obtaining the positions of the nonzero rows of the signal sources, the off‐grid overcomplete basis matrix is used to update the signal sources, thus improving the estimation accuracy of it. In addition, to reduce the approximate error of the first‐order off‐grid model, a second‐order off‐grid model is introduced through a further Taylor expansion of the steering vector. Finally, the formula for solving the off‐grid gap under the novel model is derived. Extensive simulation results indicate that the proposed algorithm has better performance than FOGL1SVD in terms of DOA estimation precision.
Marking function of Stokes number on airfoils’ aerodynamic penalties in a gas–solid flow
Authors: Jin Junjun , Lu Zhiliang , Guo Tongqing , Zhou Di , Li Qiaozhong
Published: October 2021

This paper aims to employ the Stokes number to mark aerodynamic penalties of airfoils caused by particles, which is crucial to implement their scaling experiments in a gas‐solid flow. Each Stokes number is associated with a series of approximate aerodynamic penalties which are obtained at the same Reynolds number with different chord lengths. In the process, two phenomena which go against the mark are discussed and their mechanisms are revealed. The results show they occur at smaller and larger ranges of Stokes number, respectively. The effect of gravity is the leading cause and a larger chord length or diameter particle can strength its effect. The application scope of the mark, meanwhile, is ascertained. A chord length smaller than 1.5 m is advised at Re = 1.00 × 106 and those at other Reynolds numbers are also presented. As Stokes number decreases from 3, the aerodynamic penalty increases exponentially first at the advised chord length and reaches up to their peak values at the Stokes number of 0.050. In addition, the change of the aerodynamic penalty with Stokes number is dominated by the momentum exchange in the direction of gravity in the region between the particle injection plane and the airfoil.
MIRACL Co‐Simulation platform for control and operation of distributed wind in microgrid
Authors: Bhattarai Bishnu , Marinovici Laurentiu , Sarker Partha S. , Orrell Alice
Published: October 2021

This paper presents a co‐simulation platform (CSP) developed as a part of the “Microgrids, Infrastructure Resilience and Advanced Controls Launchpad (MIRACL)” project, hereafter called MIRACL‐CSP, to allow simulation‐based testing, demonstration, and evaluations of distributed wind under various grid operating conditions. MIRACL‐CSP provides modular interactions among the power distribution system, distributed wind, and utility decision‐making framework. A hierarchical engine for large‐scale infrastructure co‐simulations (HELICS) is used as the core engine of MIRACL‐CSP to establish time and information coordination among the MIRACL‐CSP modules. In this study, MIRACL‐CSP performance is demonstrated using the IEEE 123‐node test distribution grid modelled in GridLAB‐D and the utility decision support application modelled in Python. The functionality of MIRACL‐CSP is demonstrated through various grid operational scenarios in a microgrid and networked microgrid environment. A co‐simulation study is described that demonstrated MIRACL‐CSP capabilities for the microgrid operational scenario in the IEEE 123‐node test system. MIRACL‐CSP is a generic platform that facilitates distributed wind research for different test systems, applications, and valuation of distributed wind.
A new approach to feature-based asteroid taxonomy in 3D color space
Authors: Roh Dong-Goo , Moon Hong-Kyu , Shin Min-Su , DeMeo Francesca E.
Published: October 2021

The taxonomic classification of asteroids has been mostly based on spectroscopic observations with wavelengths spanning from the visible (VIS) to the near-infrared (NIR). VIS-NIR spectra of ~2500 asteroids have been obtained since the 1970s; the Sloan Digital Sky Survey (SDSS) Moving Object Catalog 4 (MOC 4) was released with ~4 × 105 measurements of asteroid positions and colors in the early 2000s. A number of works then devised methods to classify these data within the framework of existing taxonomic systems. Some of these works, however, used 2D parameter space (e.g., gri slope vs. z-i color) that displayed a continuous distribution of clouds of data points resulting in boundaries that were artificially defined. We introduce here a more advanced method to classify asteroids based on existing systems. This approach is simply represented by a triplet of SDSS colors. The distributions and memberships of each taxonomic type are determined by machine learning methods in the form of both unsupervised and semi-supervised learning. We apply our scheme to MOC 4 calibrated with VIS-NIR reflectance spectra. We successfully separate seven different taxonomy classifications (C, D, K, L, S, V, and X) with which we have a sufficient number of spectroscopic datasets. We found the overlapping regions of taxonomic types in a 2D plane were separated with relatively clear boundaries in the 3D space newly defined in this work. Our scheme explicitly discriminates between different taxonomic types (e.g., K and X types), which is an improvement over existing systems. This new method for taxonomic classification has a great deal of scalability for asteroid research, such as space weathering in the S-complex, and the origin and evolution of asteroid families. We present the structure of the asteroid belt, and describe the orbital distribution based on our newly assigned taxonomic classifications. It is also possible to extend the methods presented here to other photometric systems, such as the Johnson-Cousins and LSST filter systems.
Whistler waves observed by Solar Orbiter/RPW between 0.5 AU and 1 AU
Authors: Kretzschmar M. , Chust T. , Krasnoselskikh V. , Graham D. , Colomban L. , Maksimovic M. , Khotyaintsev Yu. V. , Soucek J. , Steinvall K. , Santolík O. , Jannet G. , Brochot J.-Y. , Le Contel O. , Vecchio A. , Bonnin X. , Bale S. D. , Froment C. , Larosa A. , Bergerard-Timofeeva M. , Fergeau P. , Lorfevre E. , Plettemeier D. , Steller M. , Štverák Š. , Trávníček P. , Vaivads A. , Horbury T. S. , O’Brien H. , Evans V. , Angelini V. , Owen C. J. , Louarn P.
Published: October 2021

Context. Solar wind evolution differs from a simple radial expansion, while wave-particle interactions are assumed to be the major cause for the observed dynamics of the electron distribution function. In particular, whistler waves are thought to inhibit the electron heat flux and ensure the diffusion of the field-aligned energetic electrons (Strahl electrons) to replenish the halo population.

Aims. The goal of our study is to detect and characterize the electromagnetic waves that have the capacity to modify the electron distribution functions, with a special focus on whistler waves.

Methods. We carried out a detailed analysis of the electric and magnetic field fluctuations observed by the Solar Orbiter spacecraft during its first orbit around the Sun, between 0.5 and 1 AU. Using data from the Search Coil Magnetometer and electric antenna, both part of the Radio and Plasma Waves (RPW) instrumental suite, we detected the electromagnetic waves with frequencies above 3 Hz and determined the statistical distribution of their amplitudes, frequencies, polarization, and k-vector as a function of distance. Here, we also discuss the relevant instrumental issues regarding the phase between the electric and magnetic measurements as well as the effective length of the electric antenna.

Results. An overwhelming majority of the observed waves are right-handed circularly polarized in the solar wind frame and identified as outwardly propagating quasi-parallel whistler waves. Their occurrence rate increases by a least a factor of 2 from 1 AU to 0.5 AU. These results are consistent with the regulation of the heat flux by the whistler heat flux instability. Near 0.5 AU, whistler waves are found to be more field-aligned and to have a smaller normalized frequency (f/fce), larger amplitude, and greater bandwidth than at 1 AU.
Rossby numbers and stiffness values inferred from gravity-mode asteroseismology of rotating F- and B-type dwarfs
Authors: Aerts C. , Augustson K. , Mathis S. , Pedersen M. G. , Mombarg J. S. G. , Vanlaer V. , Van Beeck J. , Van Reeth T.
Published: October 2021

Context.Multi-dimensional (magneto-)hydrodynamical simulations of physical processes in stellar interiors depend on a multitude of uncalibrated free parameters, which set the spatial and time scales of their computations.

Aims.We aim to provide an asteroseismic calibration of the wave and convective Rossby numbers, and of the stiffness at the interface between the convective core and radiative envelope of intermediate-mass stars. We deduce these quantities for rotating dwarfs from the observed properties of their identified gravity and gravito-inertial modes.

Methods.We relied on near-core rotation rates and asteroseismic models of 26 B- and 37 F-type dwarf pulsators derived from 4-yearKeplerspace photometry, high-resolution spectroscopy, andGaiaastrometry in the literature to deduce their convective and wave Rossby numbers. We computed the stiffness at the interface of the convective core and the radiative envelope from the inferred maximum buoyancy frequency at the interface and the convective turnover frequency in the core. We use those asteroseismically inferred quantities to make predictions of convective penetration levels, local flux levels of gravito-inertial waves triggered by the convective core, and of the cores’ potential rotational and magnetic states.

Results.Our sample of 63 gravito-inertial mode pulsators covers near-core rotation rates from almost zero up to the critical rate. The frequencies of their identified modes lead to models with stiffness values between 102.69and 103.60for the B-type pulsators, while those of F-type stars cover the range from 103.47to 104.52. The convective Rossby numbers derived from the maximum convective diffusion coefficient in the convective core, based on mixing length theory and a value of the mixing length coefficient relevant for these pulsators, vary between 10−2.3and 10−0.8for B-type stars and 10−3and 10−1.5for F-type stars. The 17 B-type dwarfs with an asteroseismic estimate of the penetration depth reveal it to be in good agreement with recent theory of convective penetration that takes rotation into account. Theoretical estimates based on the observationally inferred convective Rossby numbers and stiffness values lead to local stochastically-excited gravito-inertial wave fluxes which may exceed those predicted for non-rotating cores, in agreement with observations. Finally, the convective core of rapid rotators is expected to have cylindrical differential rotation causing a magnetic field of 20–400 kG for B-type stars and of 0.1–3 MG for F-type stars.

Conclusions.Our results provide asteroseismic calibrations to guide realistic (magneto-)hydrodynamical simultations of rotating (magnetised) core convection in stellar interiors of dwarfs and future modelling of transport and mixing processes in their interiors.
Problems of creating autonomous navigation systems on geophysical fields
Authors: Fateev Vyacheslav , Bobrov Dmitrii , Murzabekov Murat , Davlatov Ruslan
Published: October 2021

Global navigation satellite systems, which provide high accuracy of navigation, in certain conditions (in tunnels, in closed rooms, in conditions of interference, etc.) have restrictions on their use. In this regard, in order to ensure “seamless” navigation in any conditions of the situation, it becomes necessary to develop new methods and means to increase the stability of navigation definitions. The article is devoted to the consideration of the problems of creating an integrated navigation system using measurements of the parameters of the Earth’s gravitational and magnetic fields. Requirements for meters of parameters of geophysical fields and navigation charts are considered, a number of new navigation meters, new methods and means of preparing navigation charts are proposed. The ways of development of relativistic geodesy and the possibility of using the achievements of gravitational-wave astronomy in gravimetry are considered.
Hommage à Pierre Duffaut, 15 octobre 2021. De l’épopée hydroélectrique de l’Électricité de France à la mécanique des roches et la diffusion du savoir
Authors: Giafferi Jean-Louis
Published: October 2021

Jeune ingénieur de l’École des Mines de Saint-Étienne, Pierre Duffaut a intégré en 1948 le tout nouveau et embryonnaire Service Géologique que venait de créer l’Électricité de France (EDF). Il a participé à l’épopée hydroélectrique d’EDF confrontée au défi d’un programme énergétique ambitieux nécessité par la pénurie d’énergie au sortie de la Seconde Guerre mondiale. Il fallait terminer de gros chantiers interrompus par la guerre et étudier tous les nombreux nouveaux projets répartis dans les Alpes, les Pyrénées, et le Massif central. Il fallait innover et développer une géologie de l’ingénieur appliquée au Génie civil dans un premier temps pour les galeries puis, plus tard, pour les barrages. Pierre Duffaut se consacra tout d’abord aux études des lits épigéniques du Drac, de la Loire et à l’optimisation des tracés de galeries et du franchissement d’« accidents » géologiques. Il participa ainsi activement à cette épopée de l’hydroélectricité. Quelques années plus tard, de 1956 à 1961, il fut chef de l’Aménagement du barrage de Lanoux et des galeries hydrauliques avec leurs difficultés. La rupture, fin 1959, du barrage voûte de Malpasset le conduisit à se consacrer plus particulièrement au développement de la mécanique des roches et à la géologie appliquée aux barrages et plus généralement à celle des ouvrages de Génie civil (tunnels, cavités souterraines, aménagement du sous-sol en site urbain…). Après avoir été détaché, de 1977 à 1982 au service Génie géologique (ex service Géotechnique), ayant pris sa « retraite », Pierre Duffaut s’orienta vers l’enseignement, l’encadrement de thèses, avec le souci de la transmission de ses connaissances aux plus jeunes à travers de nombreuses publications et sa participation à différents congrès à travers le monde d’où il revenait avec de nouvelles idées. La publication du Manuel de mécanique des roches, coordonnant 80 spécialistes français, a couronné l’ensemble de sa carrière.
À la mémoire de Pierre Duffaut. Réflexions sur la sécurité des ouvrages hydrauliques et nucléaires
Authors: Piraud Jean
Published: October 2021

L’objet de ce papier n’est pas de relater la carrière de P. Duffaut, mais de revenir sur deux aspects particuliers de sa carrière auxquels il a consacré de longues années :

– La rupture du barrage-voûte de Malpasset (Var, France), en 1959 : à la demande d’EDF, P. Duffaut a suivi toutes les investigations entreprises pour comprendre le mécanisme de la rupture de ce barrage et de ses fondations, ainsi que les actions en justice qui ont été menées. À côté des causes techniques de la rupture, aujourd’hui bien élucidées, sont réexaminés les facteurs organisationnels et humains qui ont contribué à cette catastrophe, à la lumière des conceptions d’aujourd’hui sur les responsabilités des différents acteurs ;

– Les centrales nucléaires à réacteur souterrain : P. Duffaut s’est efforcé de promouvoir cette idée, en se fondant sur le succès avéré des centrales hydroélectriques creusées dans des cavernes au rocher. Ce concept présente en effet des avantages majeurs en termes de protection du réacteur et de son voisinage contre les risques internes (dysfonctionnements) et externes (intrusions, sabotage, guerre…), et contre les risques naturels, sismiques en particulier. Il n’a guère été écouté de son vivant, mais l’idée de petits réacteurs modulaires enterrés et recouverts d’un remblai va bientôt être mise en œuvre.
Development of an advanced MES for the simulation and optimization of industry 4.0 process
Authors: Benfriha Khaled , El-Zant Chawki , Charrier Quentin , Bouzid Abdel-Hakim , Wardle Peter , Belaidi Idir , Loubère Stéphane , Ghodsian Nooshin , Aoussat Améziane
Published: October 2021

The concept of Industry 4.0 has been developed a lot from a theoretical point of view. However, the real applications on production lines remain few in number, due to the difficulties of interoperability between the different production entities and also due to the lack of a control system adapted to the expected flexibility and to the management of the data generated. This article focuses on the development and deployment of a manufacturing execution system (MES) on a production system 4.0. The development stages of the system are explained in detail. The new functionalities and the expected level of performance impose a new logic in the design of advanced systems for controlling and optimizing production. Finally, a proof of concept of an MES was developed and tested on a new technology platform 4.0.
Cultural diversity in unequal societies sustained through cross-cultural competence and identity valuation
Authors: Bunce John A.
Published: October 2021

In much contemporary political discourse, valued cultural characteristics are threatened by interaction with culturally distinct others, such as immigrants or a hegemonic majority. Such interaction often fosters cross-cultural competence (CCC), the ability to interact successfully across cultural boundaries. However, most theories of cultural dynamics ignore CCC, making cultural diversity incompatible with mutually beneficial inter-group interaction, and contributing to fears of cultural loss. Here, interview-based field methods at an Amazonian ethnic boundary demonstrate the prevalence of CCC. These data motivate a new theoretical mathematical model, incorporating competing developmental paths to CCC and group identity valuation, that illuminates how a common strategy of disempowered minorities can counter-intuitively sustain cultural diversity within a single generation: Given strong group identity, minorities in a structurally unequal, integrative society can maintain their distinctive cultural norms by learning those of the majority. Furthermore, rather than a rejection of, or threat to, majority culture, the valuation of a distinctive minority identity can characterize CCC individuals committed to extensive, mutually beneficial engagement with the majority as members of an integrative, multi-cultural society.
Epistemic injustice in the age of evidence-based practice: The case of fibromyalgia
Authors: Heggen Kristin Margrethe , Berg Henrik
Published: October 2021

The aim of this paper is to analyze epistemic interactions in healthcare practices. In clinical encounters, participants exchange and interpret knowledge. Patients suffering from fibromyalgia often report that healthcare professionals do not take their testimonies and interpretations seriously. Such experiences will be explored using the concept of epistemic injustice. Epistemic injustice is wrong done to someone in their capacity as a knower. In healthcare settings, epistemic injustice occurs when patients experience an unjustified discrediting as unreliable informants of their own illness experiences. First, we will argue that patients’ epistemic marginalization can be reframed as an epistemological problem. There is a gap between patients’ lived experience of illness and professionals’ conceptualization of illness as disease. This gap leads to two distinct conceptualizations, possibly causing harm to patients’ capacity as first-hand knowers. Second, we will analyze epistemic injustice in light of the dominant model of knowledge translation in medicine and healthcare, namely evidence-based practice (EBP). EBP intends to diminish the gap between scientific knowledge and clinical practice. EBP prioritizes knowledge obtained through clinical research over other forms of clinical knowledge and has the potential for harmful epistemic devaluation of patients’ stories.
Liver-on-chip models mimic in vivo livers, liver disease
Authors: McConnon Aili
Published: October 2021

Fabricating organs to better understand the chemical reactions happening within organs and communication between organs.
First-principles calculations of physical properties and superconductivity of orthorhombic Mo2BC and Nb2BN
Authors: Saib S. , Uzunok H. Y. , Karaca Ertugˇrul , Bagˇcı S. , Tütüncü H. M. , Srivastava G. P.
Published: October 2021

Ab initio pseudopotential calculations have made for the structural, electronic, elastic, mechanical, and electron–phonon interaction properties of molybdenum borocarbide (Mo2BC) and niobium boronitride (Nb2BN) superconductors. Analysis of the structural and electronic properties reveals that the nature of bonding in both these compounds is a combination of covalent, ionic, and metallic. The near-Fermi electronic states in both compounds are occupied by the d states of transition metal atoms. The electronic density of states at the Fermi level in Mo2BC is significantly higher than that in Nb2BN. Lattice dynamical calculations verify their dynamical stability in the base-centered orthorhombic Mo2BC-type crystal structure. We find that the total electron–phonon coupling constant is equal to 0.745 for Mo2BC and 0.539 for Nb2BN. The calculated superconducting transition temperature of 7.41 K for Mo2BC and 3.50 K for Nb2BN is comparable with their experimental values of 7.2 and 4.4 K, respectively.
What the foundations of quantum computer science teach us about
chemistry
Authors: McClean Jarrod R. , Rubin Nicholas C. , Lee Joonho , Harrigan Matthew P. , O’Brien Thomas E. , Babbush Ryan , Huggins William J. , Huang Hsin-Yuan
Published: October 2021

With the rapid development of quantum technology, one of the leading applications that has been identified is the simulation of chemistry. Interestingly, even before full scale quantum computers are available, quantum computer science has exhibited a remarkable string of results that directly impact what is possible in a chemical simulation with any computer. Some of these results even impact our understanding of chemistry in the real world. In this Perspective, we take the position that direct chemical simulation is best understood as a digital experiment. While on the one hand, this clarifies the power of quantum computers to extend our reach, it also shows us the limitations of taking such an approach too directly. Leveraging results that quantum computers cannot outpace the physical world, we build to the controversial stance that some chemical problems are best viewed as problems for which no algorithm can deliver their solution, in general, known in computer science as undecidable problems. This has implications for the predictive power of thermodynamic models and topics such as the ergodic hypothesis. However, we argue that this Perspective is not defeatist but rather helps shed light on the success of existing chemical models such as transition state theory, molecular orbital theory, and thermodynamics as models that benefit from data. We contextualize recent results, showing that data-augmented models are a more powerful rote simulation. These results help us appreciate the success of traditional chemical theory and anticipate new models learned from experimental data. Not only can quantum computers provide data for such models, but they can also extend the class and power of models that utilize data in fundamental ways. These discussions culminate in speculation on new ways for quantum computing and chemistry to interact and our perspective on the eventual roles of quantum computers in the future of chemistry.
Photophoretic trap testing rig for volumetric displays
Authors: Barton Dylan , Huffman Braden , Briceno Ximena , Darm Tanner , Smalley Daniel
Published: October 2021

In this Note, we describe a test rig for optimizing the trapping parameters of optical trap displays. This rig allows targeted experimentation on software, hardware, and environmental variables. These variables affect the success and robustness of particle trapping. We demonstrate the operation of the rig in a handful of example experiments while achieving an average standard error of less than 1% and an accuracy of over 98% at a reduced size, user overhead, and cost, allowing for rapid development of optical trap display research.
Recent progress and future prospects of perovskite tandem solar cells
Authors: Ho-Baillie Anita W. Y. , Zheng Jianghui , Mahmud Md Arafat , Ma Fa-Jun , McKenzie David R. , Green Martin A.
Published: October 2021

Organic–inorganic metal halide perovskite solar cells represent the fastest advancing solar cell technology in terms of energy conversion efficiency improvement, as seen in the last decade. This has become a promising technology for next-generation, low-cost, high-efficiency photovoltaics including multi-junction tandem cell concepts. Double-junction tandem cells have much higher efficiency limits of 45%, beyond the Shockley–Queisser limits for a single-junction solar cell. In this review, recent progress with the perovskite tandem solar cells is highlighted, in particular, with 2-terminal perovskite–Si, perovskite–CIGS [where CIGS = Cu(In,Ga)(S,Se)2], perovskite–organic photovoltaic, perovskite–perovskite, and 3-junction-perovskite tandems. The opportunity and challenges of two-terminal monolithic perovskite tandems are discussed including a roadmap of strategies for further improving their efficiencies.