bluuebunny/crossref_metadata_2025 huggingface dataset:
A carboxylatopillar[5]arene-based pH-triggering supramolecular photosensitizer for enhanced photodynamic antibacterial efficacy
Authors: Yue Tao , Xia Lei , Tian Jia , Huang Baoxuan , Chen Chao , Cao Hongliang , Zhang Weian
Published: January 2022

A pH-triggering supramolecular antibacterial photosensitizer, constructed by host-guest interaction between porphyrin photosensitizer and carboxylatopillar[5]arene, not only improves the biocompatibility of the photosensitizer, but also enhances antibacterial efficacy under the low pH bacterial microenvironment.
Insight into the performance of different Pt/KL catalysts for n-alkane (C6–C8) aromatization: catalytic role of zeolite channels
Authors: Yan Mengxia , Xu Dan , Wu Baoshan , Yang Yong , Li Yongwang
Published: January 2022

The weakened catalytic role of the zeolite channels might be a considerable reason for the low superiority of Pt/KL catalysts in n-octane aromatization.
Facile strategy for the synthesis of silver nanoparticles on magnetic Fe3O4@C core–shell nanocomposites and their application in catalytic reduction
Authors: Wang Xin , Zheng Jing , Li Peiyu , Yin Xue-Bo , Wang Siyao , Zhang Baishun , Xu Jingli , Zhang Min
Published: January 2022

Fe3O4@C/Ag were synthesized by ferrous ion–mediated tannic acid polymerization, which exhibited high activity on the reduction of 4-nitrophenol.
Synthesis and reactivity of heterometallic complexes containing Mg- or Zn-metalloligands
Authors: Cai Yanping , Jiang Shengjie , Dong Liqiu , Xu Xin
Published: January 2022

Herein, recent advances of heterometallic complexes containing Mg- or Zn-metalloligands are reviewed. They consist of two parts: (i) synthetic approaches and (ii) stoichiometric and catalytic reactivities.
Sterically rigid bismuth pincer complexes; observation of the growing polymer chain in polar monomer polymerisation
Authors: Turner Zoë R. , Wilmore Jamie T. , Rees Nicholas H. , Buffet Jean-Charles
Published: January 2022

A family of pyridine dipyrrolide bismuth complexes have been prepared and investigated as initiators for the ring-opening polymerisation of lactide monomers.
Photoactive silicon surfaces functionalized with high-quality and redox-active platinum diimine complex monolayers
Authors: Fabre Bruno , Camerel Franck , Ababou-Girard Soraya
Published: January 2022

Platinum diimine complexes can covalently be grafted onto oxide-free, hydrogen-terminated silicon(111) surfaces into clean and high-quality monolayers. The so modified surfaces offer great prospects as photocathodes for solar-driven electrocatalysis.
Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications
Authors: Cai Yingying , Liu Chi , Liu Guangying , Li Chengxi , Jiang Huanfeng , Zhu Chuanle
Published: January 2022

A general and practical method to access α,α-difluoro(thio)methyl oxetanes via the coupling of α,α-difluoro(thio)methyl ketones with trimethylsulfoxonium halides is reported.
A Ag2CO3/TFA-catalyzed intramolecular annulation approach to imidazo[1,2-c][1,3]oxazin-5-one derivatives
Authors: El Qami Abdelkarim , Jismy Badr , Akssira Mohamed , Jacquemin Johan , Tikad Abdellatif , Abarbri Mohamed
Published: January 2022

A series of 2,7-disubstituted 3-methylimidazo[1,2-c][1,3]oxazin-5-ones were synthesized in good yieldsviaAg2CO3/TFA-mediated intramolecular annulation ofN-Boc-2-alkynyl-4-bromo(alkynyl)-5-methylimidazoles.
Backbone thioamide directed macrocyclisation: lactam stapling of peptides
Authors: Taresh Ameer B. , Hutton Craig A.
Published: January 2022

The intramolecular Ag(i)-promoted reaction of peptide thioamides containing Asp and Lys residues generates the Lys–Asp (or Asp–Lys) side-chain lactam bridged peptides without requirement of a coupling agent.
Effect of halogen and solvent on iron-catalyzed atom transfer radical polymerization
Authors: Dadashi-Silab Sajjad , Kim Khidong , Lorandi Francesca , Schild Dirk J. , Fantin Marco , Matyjaszewski Krzysztof
Published: January 2022

Efficient exchange of Br in iron-catalyzed ATRP in anisole provided well-controlled polymers with low dispersity as opposed to the Cl-based initiating system, which resulted in large dispersities due to the slower activation/deactivation with Cl.
Synergistic oxygen vacancy-rich CuO/visible light activation of peroxymonosulfate for degradation of rhodamine B: fast catalyst synthesis and degradation mechanism
Authors: Liu Yangqiao , Lan Qing , Sun Shengrui , Yang Qingfeng
Published: January 2022

Oxygen vacancy-rich CuO nanoparticles synthesized via a sodium citrate strategy exhibit extremely excellent visible light-assisted catalytic behavior.
Suzuki-type cross-coupling of alkyl trifluoroborates with acid fluoride enabled by NHC/photoredox dual catalysis
Authors: Huang Hua , Dai Qing-Song , Leng Hai-Jun , Li Qing-Zhu , Yang Si-Lin , Tao Ying-Mao , Zhang Xiang , Qi Ting , Li Jun-Long
Published: January 2022

An acylative Suzuki-type cross-coupling of alkyl trifluoroborates and acid fluorides was developed by merging NHC organocatalysis with photoredox catalysis. A broad spectrum of ketones could be facilely synthesised under mild reaction conditions.
Effect of interfacial rheology on drop coalescence in water–oil emulsion
Authors: Botti Tálita Coffler , Hutin Anthony , Quintella Erick , Carvalho Marcio S.
Published: January 2022

Relationship between the coalescence of water drops in oil containing Span 80 with the viscoelastic properties of the interface: beyond the CMC, a solid-like interface is formed which prevents the coalescence.
Vat dyes: promising biocompatible organic semiconductors for wearable electronics applications
Authors: Chetyrkina Margarita R. , Talalaev Filipp S. , Kameneva Larisa V. , Kostyuk Svetlana V. , Troshin Pavel A.
Published: January 2022

We demonstrate that a series of vat dyes, which are commonly used for textile coloration, represent promising organic semiconductors with low toxicity and high biocompatibility, which are the key requirements for wearable and on-skin electronics.
Insights into the effect of Au particle size on triethylamine sensing properties based on a Au–ZnO nanoflower sensor
Authors: Chen Yizhi , Wang Zhihua , Fu Huifen , Han Dongmei , Gu Fubo
Published: January 2022

Smaller Au nanoparticles have more Auδ− and more O−, which can cause high response to TEA.
Black Mirror: The impact of rotational broadening on the search for reflected light from 51 Pegasi b with high resolution spectroscopy
Authors: Spring E. F. , Birkby J. L. , Pino L. , Alonso R. , Hoyer S. , Young M. E. , Coelho P. R. T. , Nespral D. , López-Morales M.
Published: January 2022

Context. The extreme contrast ratios between stars and their planets at optical wavelengths make it challenging to isolate the light reflected by exoplanet atmospheres. Yet, these reflective properties reveal key processes occurring in the atmospheres, and they also span wavelengths that include the potential O2 biosignature. High resolution cross-correlation spectroscopy (HRCCS) offers a robust avenue for developing techniques to extract exoplanet reflection spectra.

Aims. We aimed to extract the optical reflected light spectrum of the non-transiting hot Jupiter 51 Pegasi b by adapting techniques designed to remove tellurics in infrared HRCCS to instead remove optical stellar lines. Importantly, we investigated the as of yet neglected impact of the broadening of the reflected host star spectrum due to the difference between the stellar rotation and the planet’s orbital velocity.

Methods. We used 484, R = 115 000 optical spectra of 51 Pegasi b from HARPS-N and HARPS, which we aligned to the exact stellar rest frame, in order to effectively remove the contaminating host star. However, some stellar residuals remained, likely due to stellar activity. We cross-correlated with an appropriately broadened synthetic stellar model to search for the planet’s Doppler-shifting spectrum.

Results. We detect no significant reflected light from 51 Pegasi b, and report a signal-to-noise (S∕N) = 3 upper limit on the contrast ratio of 76.0 ppm (7.60 × 10−5) when including broadening, and 24.0 ppm (2.40 × 10−5) without. These upper limits rule out radius and albedo combinations of previously claimed detections.

Conclusions. Broadening can significantly impact the ability of HRCCS to extract reflected light spectra and it must be considered when determining the contrast ratio, radius, and albedo of the planet. Asynchronous systems (Prot,⋆≠Porb) are most affected, including most hot Jupiters as well as Earth-size planets in the traditional habitable zones of some M-dwarfs.
Successive deuteration in low-mass star-forming regions: The case of D2-methanol (CHD2OH) in IRAS 16293-2422
Authors: Drozdovskaya Maria N. , Coudert Laurent H. , Margulès Laurent , Coutens Audrey , Jørgensen Jes K. , Manigand Sébastien
Published: January 2022

Context. Di-deuterated molecules are observed in the earliest stages of star formation at abundances of a few percent relative to their nondeuterated isotopologs, which is unexpected considering the scarcity of deuterium in the interstellar medium. With sensitive observations leading to the detection of a steadily increasing number of di-deuterated species, it is becoming possible to explore successive deuteration chains.

Aims. The accurate quantification of the column density of di-deuterated methanol is a key piece of the puzzle that is missing in the otherwise thoroughly constrained family of D-bearing methanol in the deeply embedded low-mass protostellar system and astrochemical template source IRAS 16293-2422. A spectroscopic dataset for astrophysical purposes was built for CHD2OH and made publicly available to facilitate the accurate characterization of this species in astrochemical surveys.

Methods. The newly computed line list and partition function were used to search for CHD2OH toward IRAS 16293-2422 A and B in data from the Atacama Large Millimeter/submillimeter Array (ALMA) Protostellar Interferometric Line Survey (PILS). Only nonblended, optically thin lines of CHD2OH were used for the synthetic spectral fitting.

Results. The constructed spectroscopic database contains line frequencies and strengths for 7417 transitions in the 0–500 GHz frequency range. ALMA-PILS observations in the 329–363 GHz range were used to identify 105 unique, nonblended, optically thin line frequencies of CHD2OH for synthetic spectral fitting. The derived excitation temperatures and column densities yield high D/H ratios of CHD2OH in IRAS 16293-2422 A and B of 7.5 ± 1.1% and 7.7 ± 1.2%, respectively.

Conclusions. Deuteration in IRAS 16293-2422 is not higher than in other low-mass star-forming regions (L483, SVS13-A, NGC 1333-IRAS2A, -IRAS4A, and -IRAS4B). Di-deuterated molecules consistently have higher D/H ratios than their mono-deuterated counterparts in all low-mass protostars, which may be a natural consequence of H–D substitution reactions as seen in laboratory experiments. The Solar System’s natal cloud, as traced by comet 67P/Churyumov–Gerasimenko, may have had a lower initial abundance of D, been warmer than the cloud of IRAS 16293-2422, or been partially reprocessed. In combination with accurate spectroscopy, a careful spectral analysis, and the consideration of the underlying assumptions, successive deuteration is a robust window on the physicochemical provenance of star-forming systems.
The dawn of a new era for dustless HdC stars withGaiaeDR3
Authors: Tisserand P. , Crawford C. L. , Clayton G. C. , Ruiter A. J. , Karambelkar V. , Bessell M. S. , Seitenzahl I. R. , Kasliwal M. M. , Soon J. , Travouillon T.
Published: January 2022

Context.Decades after their discovery, only four hydrogen-deficient carbon (HdC) stars were known to have no circumstellar dust shell. This is in complete contrast to the ∼130 known Galactic HdC stars that are notorious for being heavy dust producers, that is the R Coronae Borealis (RCB) stars. Together, they form a rare class of supergiant stars that are thought to originate from the merger of CO/He white dwarf (WD) binary systems, otherwise known as the double-degenerate scenario.

Aims.We searched for new dustless HdC (dLHdC) stars to understand their Galactic distribution, to estimate their total number in the Milky Way, and to study their evolutionary link with RCB stars and extreme helium (EHe) stars, the final phase of HdC stars.

Methods.We primarily used the 2MASS andGaiaeDR3 all-sky catalogues to select candidates that were then followed-up spectroscopically. We studied the distribution of known and newly discovered stars in the Hertzsprung-Russell diagram.

Results.We discovered 27 new dLHdC stars, one new RCB star, and two new EHe stars. Surprisingly, 20 of the new dLHdC stars share a characteristic of the known dLHdC star HD 148839, having lower atmospheric hydrogen deficiencies. The uncovered population of dLHdC stars exhibits a bulge-like distribution, like the RCB stars, but show multiple differences from RCB stars that indicate that they are a different population of HdC stars. This population follows its own evolutionary sequence with a fainter luminosity and also a narrow range of effective temperatures, between 5000 and 8000 K. Not all the new dLHdC stars belong to this new population, as we found an indication of a current low dust production activity around 4 of them: the warm F75, F152, and C526, and the cold A166. They might be typical RCB stars passing through a transition time, entering or leaving the RCB phase.

Conclusions.For the first time, we have evidence of a wide range of absolute magnitudes in the overall population of HdC stars, spanning more than 3 mag. In the favoured formation framework, this is explained by a wide range in the initial total WD binary mass, which leads to a series of evolutionary sequences with distinct maximum brightness and initial temperature. The cold Galactic RCB stars are also noticeably fainter than the Magellanic RCB stars, possibly due to a difference in metallicity between the original population of stars, resulting in a different WD mass ratio. The unveiled population of dLHdC stars indicates that the ability to create dust might be linked to the initial total mass. In our Galaxy, there could be as many dLHdC stars as RCB stars.
Scaling properties of magnetic field fluctuations in the quiet Sun
Authors: Giannattasio F. , Consolini G. , Berrilli F. , De Michelis P.
Published: January 2022

Context.The study of the dynamic properties of small-scale magnetic fields in the quiet photosphere is important for several reasons: (i) it allows us to characterise the dynamic regime of the magnetic field and points out some aspects that play a key role in turbulent convection processes; (ii) it provides details of the processes and the spatial and temporal scales in the solar photosphere at which the magnetic fields emerge, vary, and eventually decay; and (iii) it provides physical constraints on models, improving their ability to reliably represent the physical processes occurring in the quiet Sun.

Aims.We aim to characterise the dynamic properties of small-scale magnetic fields in the quiet Sun through the investigation of the scaling properties of magnetic field fluctuations.

Methods.To this end, we applied the structure functions analysis, which is typically used in the study of complex systems (e.g. in approaching turbulence). In particular, we evaluated the so-called Hölder-Hurst exponent, which points out the persistent nature of magnetic field fluctuations in the field of view targeted at a whole supergranule in the disc centre.

Results.We present the first map of a solar network quiet region as represented by the Hölder-Hurst exponent. The supergranular boundary is characterised by persistent magnetic field fluctuations, which indicate the occurrence of longer-memory processes. On the contrary, the regions inside the supergranule are characterised by antipersistent magnetic field fluctuations, which suggest the occurrence of physical processes with a short memory. Classical Kolmogorov homogeneous and isotropic turbulence, for instance, belongs to this class of processes. The obtained results are discussed in the context of the current literature.
The adaptive biasing force algorithm with non-conservative forces and related topics
Authors: Lelièvre Tony , Maurin Lise , Monmarché Pierre
Published: January 2022

We propose a study of the Adaptive Biasing Force method’s robustness under generic (possibly non-conservative) forces. We first ensure the flat histogram property is satisfied in all cases. We then introduce a fixed point problem yielding the existence of a stationary state for both the Adaptive Biasing Force and Projected Adapted Biasing Force algorithms, relying on generic bounds on the invariant probability measures of homogeneous diffusions. Using classical entropy techniques, we prove the exponential convergence of both biasing force and law as time goes to infinity, for both the Adaptive Biasing Force and the Projected Adaptive Biasing Force methods.
Entre transition médicale et passage à l’âge adulte, un possible conflit de temporalité pour les jeunes atteints d’une maladie chronique
Authors: Dumas Agnès
Published: January 2022

Les progrès thérapeutiques ont augmenté la survie des enfants et adolescents atteints de maladies chroniques. Pour ces jeunes patients, le passage de la pédiatrie vers les services pour adultes peut entraîner une rupture de soins, car il implique un bouleversement de leur relation au système de soins : transformation d’une prise en charge familiale, centrée sur l’adolescent et ses parents, en une prise en charge individuelle et éclatée entre différents services ou établissements avec des règles et des usages différents de ceux de la pédiatrie. L’objet de cet article est de restituer les enjeux sociaux de ce passage, et de montrer les tensions pouvant exister entre les temporalités des transitions médicale et sociale. La transition médicale, parce qu’elle est implicitement organisée autour de l’âge de 18 ans et de la majorité juridique, tend à entrer en conflit avec la temporalité des autres transitions qui jalonnent, dans nos sociétés contemporaines, le passage à l’âge adulte.
Genèse du processus addictif
Authors: Scarna Hélène
Published: January 2022

L’addiction se développe chez des sujets vulnérables à la suite d’une consommation répétée de drogues. La recherche de l’origine de cette vulnérabilité que nous avons réalisée au cours d’entretiens psychologiques avec 312 patients atteints de troubles addictifs dans un centre de soin, d’accompagnement et de prévention en addictologie, nous conduit à proposer une hypothèse quant à la genèse du processus addictif. Cette hypothèse prend ses racines dans l’articulation entre théories psychodynamiques et neurobiologiques du développement des affects. L’observation clinique révèle la fréquence des souffrances narcissiques chez ces patients. C’est donc dans la constitution historique du narcissisme que les origines du comportement addictif ont été recherchées.
Base/B2pin2-Mediated Iodofluoroalkylation of Alkynes and Alkenes
Authors: Li Dianjun , Yang Jinhui , Wu Jianglong , Wang Chenyu , Wang Zhongjie , Li Hongjun , Liu Ruyan , Wang Yan , Zhou Pengsheng
Published: January 2022

A base/B2pin2-mediated iodofluoroalkylation of alkynes and a part of alkenes, using ethyl difluoroiodoacetate (ICF2CO2Et) or ICnF2n+1 (n = 3, 4, 6) as difluoroacetylating or perfluoroalkylating reagent, is disclosed. The reaction proceeds under mild conditions, and iododifluoroalkylation, hydrodifluoroalkylation and several perfluoroalkylation products were generated from alkynes or alkenes. Notably, this methodology provides a simple access to difluoroalkylated and perfluoroalkylated organic compounds starting from simple alkynes or alkenes.
Systematic Identification of the Main Constituents from Agrimonia pilosa Ledeb. and Their Metabolites in Rats using HPLC-Q-TOF-MS/MS
Authors: Mengmeng Song , Zhuicheng Xu , Sixuan Han , Xianjie Sheng , Yan Chen , Xinru Li , Yan Su , Qin Li , Chenxiao Shan , Tong Xie , An Kang
Published: January 2022

Agrimonia pilosa is a perennial herbaceous flowering plant, commonly known as agrimony or hairy agrimony. The dried aerial parts of this species have been widely used for the
treatment of acute diarrhea, hemostasis, and other inflammation-related diseases. However, information on the in vivo metabolism of A. pilosa constituents is limited. In this
study, the phytochemical profile of A. pilosa was investigated using HPLC-Q-TOF-MS/MS combined with a nontargeted diagnostic ion network analysis strategy. An information-dependent
acquisition method with multiple filters was utilized to screen possible prototypes and metabolites in complex biological matrices. Furthermore, various data-processing techniques were
applied to analyze possible prototypes and their metabolites in rat plasma, feces, and urine following oral administration of A. pilosa extract. A total of 62 compounds, which
belonged to five main structural classes (21 phenols, 22 flavonoids, 6 coumarins, 3 triterpenes, and 10 organic acids), were tentatively identified in A. pilosa. In addition, using
our proposed stepwise method, 32 prototypes and 69 metabolites were detected in rat plasma, feces, and urine. The main metabolic pathways after the oral administration of A. pilosa
extract were revealed to include methylation, dihydroxylation, demethylation, hydrolysis, sulfation, and glucuronidation. This comprehensive in vivo and in vitro identification
of the possible active components in A. pilosa could provide a basis for understanding its various pharmacological activities.
Spontaneous Regression of a Symptomatic Cyst of the Cavum Septi Pellucidi and Vergae
Authors: Krejčí Tomáš , Krejčí Ondřej , Lipina Radim
Published: January 2022

Spontaneous regression of cysts of the cavum septi pellucidi (CSP) and cavum vergae (CV) is rare and little discussed. The authors present their case report of this phenomenon following a severe headache in a 23-year-old woman, in whom magnetic resonance imaging (MRI) had previously confirmed significant thinning of the left lateral cyst wall. We consider this finding to be a possible predisposing factor to rupture and the spontaneous regression of such cysts. In addition to the mechanism of cyst regression, the interrelated causes of their expansion and formation will be discussed.
Correlação entre intensidade da dor e incapacidade com as lesões intra-articulares em pacientes com síndrome do impacto femoroacetabular
Authors: Polesello Giancarlo Cavalli , Rabelo Nayra Deise Anjos , Garcia João Tomás Fernandes Castilho , Ricioli Junior Walter , Rudelli Marco , Queiroz Marcelo Cavalheiro de
Published: January 2022

Objetivo Correlacionar alterações radiográficas e lesões de estruturas intra-articulares do acetábulo com a intensidade da dor e a incapacidade de pacientes com diagnóstico de síndrome do impacto femoroacetabular.

Métodos Realiou-se uma análise retrospectiva de dados pré-operatórios de 182 pacientes (190 quadris). Foram avaliadas variáveis clínicas como idade, sexo e prática de atividade física, e variáveis radiográficas, como ângulo de Wiberg e o ângulo alfa. Por meio do vídeo intraoperatório, foi avaliada a extensão das lesões condrais e labiais considerando-se o método clock-face, o grau de comprometimento articular pela classificação de Outerbridge, e a presença de lesão em onda. As variáveis foram analisadas por meio de regressão linear, tendo como variáveis dependentes a intensidade da dor, avaliada pela Escala Visual Analógica (EVA), e a incapacidade funcional, mensurada pelo Harris Hip Score modificado (HHSm).

Resultados A média de idade dos pacientes foi de 38,5 ±  9,6 anos, a da intensidade da dor, 7,8 ±  1,6, e a do HHSm, 56,3 ±  12,7. No total, 61% da amostra apresentava Outerbridge III ou IV, e 12,6% apresentava lesão em onda. Observou-se correlação do sexo masculino (r = 0,497) com menor intensidade da dor, e correlação da idade (r = −0,27), do sexo masculino (r = 8,419) e da realização de atividade física com maior escore funcional no HHSm (r = 4,729).

Conclusão Não houve correlação dos parâmetros radiográficos e artroscópicos deste estudo com a intensidade da dor e a incapacidade dos pacientes. O sexo masculino está relacionado com menor intensidade da dor, e maior capacidade funcional está relacionada com o sexo masculino, menor idade, e a prática de atividade física.

Nível de Evidência IV.
A influência da incompatibilidade do macho de rosca na resistência à extração do parafuso pedicular
Authors: Pinheiro Rômulo Pedroza , Miranda Raffaello de Freitas , Shimano Antonio Carlos , Chandanson Thibault , George Keri , Defino Helton L.A.
Published: January 2022

Objetivo Nosso objetivo foi estudar a resistência à extração “in vitro” do parafuso SpineGuard/Zavation Dynamic Surgical Guidance Z-Direct (Parafuso DSG Guia Cirúrgico Dinâmico, SpineGuard Inc, Boulder, Colorado, USA), um parafuso projetado para ser inserido utilizando a técnica de inserção direta.

Métodos Os parafusos DSG de 5,5 e 6,5 mm foram introduzidos em blocos de poliuretano com densidade de 10 PCF (0,16g/cm3). De acordo com o grupo experimental, os parafusos foram inseridos sem um orifício piloto, com um orifício piloto sem o macheamento, com macheamento e com macheamento linha a linha. Os testes de extração do parafuso foram realizados em uma máquina de teste universal, após a inserção do parafuso em blocos de poliuretano.

Resultados Os parafusos inseridos diretamente nos blocos de poliuretano sem o orifício piloto e o macheamento mostraram uma resistência à extração estatisticamente maior. A inserção do parafuso sem o macheamento ou com o macho de menor diâmetro aumenta a resistência à extração do parafuso em comparação com o macheamento linha a linha.

Conclusão O parafuso DSG apresentou a maior resistência à extração após a inserção sem o orifício piloto e o macheamento.
Associations between the von Willebrand Factor—ADAMTS13 Axis, Complement Activation, and COVID-19 Severity and Mortality
Authors: Sinkovits György , Réti Marienn , Müller Veronika , Iványi Zsolt , Gál János , Gopcsa László , Reményi Péter , Szathmáry Beáta , Lakatos Botond , Szlávik János , Bobek Ilona , Prohászka Zita Z. , Förhécz Zsolt , Mező Blanka , Csuka Dorottya , Hurler Lisa , Kajdácsi Erika , Cervenak László , Kiszel Petra , Masszi Tamás , Vályi-Nagy István , Prohászka Zoltán
Published: January 2022

Background Endothelial and complement activation were both associated with immunothrombosis, a key determinant of COVID-19 severity, but their interrelation has not yet been investigated.

Objectives We aimed to determine von Willebrand factor (VWF) antigen (VWF:Ag) concentration, VWF collagen binding activity (VWF:CBA), a disintegrin and metalloproteinase with a thrombospondin type 1 motif, member 13 (ADAMTS13) activity (ADAMTS13:Ac), and their ratios in hospitalized COVID-19 patients, and to investigate how these parameters and their constellation with complement activation relate to disease severity and in-hospital mortality in COVID-19.

Methods Samples of 102 hospitalized patients with polymerase chain reaction-confirmed severe acute respiratory syndrome coronavirus 2 positivity were included in our observational cohort study. Patients were stratified according to the peak severity of COVID-19 disease in agreement with the World Health Organization ordinal scale. Twenty-six convalescent plasma donors with previous COVID-19 disease formed the control group. VWF:Ag concentration and VWF:CBA were determined by enzyme-linked immunosorbent assay (ELISA); ADAMTS13:Ac was determined by fluorescence resonance energy transfer. Complement C3 and C3a were measured by turbidimetry and ELISA, respectively. Clinical covariates and markers of inflammation were extracted from hospital records.

Results VWF:Ag and VWF:CBA were elevated in all groups of hospitalized COVID-19 patients and increased in parallel with disease severity. ADAMTS13:Ac was decreased in patients with severe COVID-19, with the lowest values in nonsurvivors. High (> 300%) VWF:Ag concentrations or decreased (< 67%) ADAMTS13:Ac were associated with higher risk of severe COVID-19 disease or in-hospital mortality. The concomitant presence of decreased ADAMTS13:Ac and increased C3a/C3 ratio—indicating complement overactivation and consumption—was a strong independent predictor of in-hospital mortality.

Conclusion Our results suggest that an interaction between the VWF-ADAMTS13 axis and complement overactivation and consumption plays an important role in the pathogenesis of COVID-19.
Privacy-Preserving Artificial Intelligence Techniques in Biomedicine
Authors: Torkzadehmahani Reihaneh , Nasirigerdeh Reza , Blumenthal David B. , Kacprowski Tim , List Markus , Matschinske Julian , Spaeth Julian , Wenke Nina Kerstin , Baumbach Jan
Published: January 2022

Background Artificial intelligence (AI) has been successfully applied in numerous scientific domains. In biomedicine, AI has already shown tremendous potential, e.g., in the interpretation of next-generation sequencing data and in the design of clinical decision support systems.

Objectives However, training an AI model on sensitive data raises concerns about the privacy of individual participants. For example, summary statistics of a genome-wide association study can be used to determine the presence or absence of an individual in a given dataset. This considerable privacy risk has led to restrictions in accessing genomic and other biomedical data, which is detrimental for collaborative research and impedes scientific progress. Hence, there has been a substantial effort to develop AI methods that can learn from sensitive data while protecting individuals' privacy.

Method This paper provides a structured overview of recent advances in privacy-preserving AI techniques in biomedicine. It places the most important state-of-the-art approaches within a unified taxonomy and discusses their strengths, limitations, and open problems.

Conclusion As the most promising direction, we suggest combining federated machine learning as a more scalable approach with other additional privacy-preserving techniques. This would allow to merge the advantages to provide privacy guarantees in a distributed way for biomedical applications. Nonetheless, more research is necessary as hybrid approaches pose new challenges such as additional network or computation overhead.
Low-field high-harmonic generation in Mo6S6I2 Chevrel-phase superconductor
Authors: Metskhvarishvili I. R. , Bendeliani B. G. , Dgebuadze G. N. , Giorganashvili G. R. , Metskhvarishvili M. R. , Lobzhanidze T. E.
Published: January 2022

This research carried out experiments on the Chevrel-phase Mo6S6I2 polycrystalline superconductor. The behavior of harmonic generation in the dc magnetic fields, the dependence of the high harmonics on the ac magnetic field amplitude, the dc magnetic field, and the temperature are investigated. The experimental results are well described by the classical Bean critical state model, when the current does not depend on the dc field and even harmonics are not observed.
Possibility for the anisotropic acoustic plasmons in LaH10 and their role in enhancement of the critical temperature of superconducting transition
Authors: Pashitskii E. A. , Pentegov V. I. , Semenov A. V.
Published: January 2022

We discuss a possible role of the collective acoustic electronic excitations in the mechanism of the nearly room-temperature superconductivity in superhydrides at megabar pressures. While the dominant role of the phonon mechanism of superconductivity in such compounds is evident due to the measured isotope effect with deuterium (on LaD10), the small values of the effective Coulomb constant chosen in theoretical calculations of the critical temperature deserve further justification. We believe that the additional suppression of the Coulomb repulsion in superhydrides may be due to the appearance of additional acoustic plasmonic branches in their collective spectra. In LaH10 the conditions for such mechanism arise due to the hybridization of La 4f and H 1s states near the Fermi level in the vicinity of the L point of the Brillouin zone. We propose an analytical model approximation for the resulting conducting band and show that in a certain range of directions in quasimomentum space an acoustic branch should appear in the spectrum of the collective electronic excitations in LaH10. The contribution of these excitations to the suppression of the effective Coulomb constant is analyzed.
Semiconductor nanotube eigenmodes and the Aharonov–Bohm effect
Authors: Averkov Yu. , Prokopenko Yu. , Yakovenko V.
Published: January 2022

In the present work, the spectra of electromagnetic eigenmodes of a structure consisting of a semiconductor nanotube filled with a nonmagnetic dielectric are theoretically investigated. This structure is placed in a constant magnetic field parallel to the nanotube axis. The walls of the nanotube are assumed to be infinitely thin. The dispersion equation for eigenmodes in such a structure is derived taking into account the retardation effect. From the dispersion equation it follows that in the general case the bulk-surface and surface eigenmodes can exist in such a structure. These eigenmodes with a nonzero azimuthal mode index are hybrids ones and can experience Aharonov-Bohm oscillations with the magnetic field changes.
Hemispherical X band microwave small sized open resonator for wide range from 1 to 20 permittivity characterization of solid-state dielectrics
Authors: Breslavets A. A. , Eremenko Z. E. , Rudnev G. O. , Natarov M. P. , Glamazdin V. V. , Shubnyi O. I. , Voitovych O. A. , Gang Zhu , Rong Li , Prokopenko A. A.
Published: January 2022

We carried out the computer simulation and experimental study of the Fabry–Perot open hemispherical resonator of the X band with the following characteristics: one resonator mirror has semispherical shape and another one is a plane mirror and it has much smaller diameter than the first mirror. The working resonant mode is TEM005, i.e., only 5 semi-waves are located between the hemispherical and plane resonator mirrors. The resonator has quite sparse frequency spectrum such as 3 resonances in the 7–12 GHz range. At the permittivity variation of the permittivity of dielectric samples from 1 to 20 units the corresponding resonant frequency range is quite large and is equal to 1.4 GHz. The quality factor of the resonator at resonant frequencies is in the range 100–-600, and it is enough to determine the permittivity of dielectric samples placed on the plane mirror. The dielectric samples diameter is rather small and is equal to 50 mm and its height is 5 mm. The computer simulation results are in good agreement to the experimental ones. The resonant frequency and Q factor differences between the experimental and calculation values are in average of 100 MHz and 4 units, respectively, for samples measurement.
Thermodynamic measurements of doped dimer-Mott organic superconductor under pressure
Authors: Matsumura Y. , Yamashita S. , Akutsu H. , Nakazawa Y.
Published: January 2022

Thermal anomalies in the temperature dependence of the heat capacity around the superconducting transition of a hole-doped superconductor, κ–(BEDT-TTF)4Hg2.89Br8, which is known as a dimer-Mott triangle lattice system are investigated by the ac modulation technique under external pressure. To detect the electronic phase transition under applied pressure conditions for a single crystal sample, we have improved resolution of the ac modulation technique. By tracking the appropriate frequency during the temperature scan measurement, we succeed in detecting the thermal anomaly with the applied pressure of 0.3 GPa where the electronic state is located in the crossover region of non-Fermi liquid to Fermi liquid. Application of the external magnetic fields of H = 2 and 6 T in the in-plane direction reveals that the superconductivity in this doped triangle lattice of molecular dimers is relatively stable against the magnetic field.
Impact of confinement and polarizability on dynamics of ionic liquids
Authors: Gäding Johannes , Tocci Gabriele , Busch Mark , Huber Patrick , Meißner Robert H.
Published: January 2022

Polarizability is a key factor when it comes to an accurate description of different ionic systems. The general importance of including polarizability into molecular dynamics simulations was shown in various recent studies for a wide range of materials, ranging from proteins to water to complex ionic liquids and for solid–liquid interfaces. While most previous studies focused on bulk properties or static structure factors, this study investigates in more detail the importance of polarizable surfaces on the dynamics of a confined ionic liquid in graphitic slit pores, as evident in modern electrochemical capacitors or in catalytic processes. A recently developed polarizable force field using Drude oscillators is modified in order to describe a particular room temperature ionic liquid accurately and in agreement with recently published experimental results. Using the modified parameters, various confinements are investigated and differences between non-polarizable and polarizable surfaces are discussed. Upon introduction of surface polarizability, changes in the dipole orientation and in the density distribution of the anions and cations at the interface are observed and are also accompanied with a dramatic increase in the molecular diffusivity in the contact layer. Our results thus clearly underline the importance of considering not only the polarizability of the ionic liquid but also that of the surface.
Numerical simulation of flow over flapping wings in tandem: Wingspan effects
Authors: Jurado R. , Arranz G. , Flores O. , García-Villalba M.
Published: January 2022

We report direct numerical simulations of a pair of wings in horizontal tandem configuration to analyze the effect of their aspect ratio on the flow and the aerodynamic performance of the system. The wings are immersed in a uniform free stream at the Reynolds number Re = 1000, and they undergo heaving and pitching oscillation with the Strouhal number St = 0.7. The aspect ratios of forewing and hindwing vary between 2 and 4. The aerodynamic performance of the system is dictated by the interaction between the trailing edge vortex (TEV) shed by the forewing and the induced leading-edge vortex formed on the hindwing. The aerodynamic performance of the forewing is similar to that of an isolated wing irrespective of the aspect ratio of the hindwing, with a small modulating effect produced by the forewing–hindwing interactions. On the other hand, the aerodynamic performance of the hindwing is clearly affected by the interaction with the forewing's TEV. Tandem configurations with a larger aspect ratio on the forewing than on the hindwing result in a quasi-two-dimensional flow structure on the latter. This yields an 8% increase in the time-averaged thrust coefficient of the hindwing, with no change in its propulsive efficiency.
Electronic excitations through the prism of mean-field decomposition techniques
Authors: Eriksen Janus J.
Published: January 2022

The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, in particular, the usefulness of these for offering computational signatures of different classes of such excitations. When viewed as a conceptual lens for this purpose, decomposed results are presented for ground- and excited-state energies and dipole moments of selected prototypical organic dyes, and the discrete nature of these properties as well as how they change upon transitioning from one state to another is analyzed without recourse to a discussion based on the involved molecular orbitals. On the basis of results obtained both with and without an account of continuum solvation, our work is further intended to shed new light on practical and pathological differences in between various functional approximations in orbital-optimized Kohn–Sham density functional theory for excited states, equipping practitioners and developers in the field with new probes and possible validation tools.
Review of Scientific Instruments New Products
Authors: Mandelis Andreas
Published: January 2022

In order to supplement manufacturers’ information, this department will welcome the submission by our readers of brief communications reporting measurements on the physical properties of materials, which supersede earlier data or suggest new research applications.
On the classical solution of the macroscopic model of in-situ leaching of rare metals
Authors: Meirmanov Anvarbek Mukatovich
Published: January 2022

We consider initial-boundary value problems describing
the in-situ leaching of rare metals (uranium, nickel and so on)
with an acid solution. Assuming that the solid skeleton of the ground
is an absolutely rigid body, we describe the physical process
in the pore space at the microscopic level (with characteristic size
about 5-20 microns) by the Stokes equations for
an incompressible fluid coupled with
diffusion-convection equations for
the concentrations of the acid and the chemical
reaction products in the pore space. Since
the solid skeleton changes its geometry during dissolution, the boundary
‘pore space-solid skeleton’ is unknown (free).
Using the homogenization method for media with a special periodic structure,
we rigorously derive a macroscopic mathematical model (with characteristic size
of several meters or tens of meters) of incompressible fluid corresponding to
the original microscopic model of the physical process
and prove the global-in-time existence and uniqueness theorems
for classical solutions of the resulting macroscopic mathematical model.
An extended form of the Grothendieck-Serre conjecture
Authors: Panin Ivan Alexandrovich
Published: January 2022

Let $R$ be a regular semi-local integral domain containing a field,
$K$ the fraction field of $R$, and $\mu\colon \mathbf{G} \to \mathbf{T}$ an
$R$-group scheme morphism between reductive $R$-group schemes which is
smooth as a scheme morphism. Suppose that $\mathbf{T}$ is an $R$-torus.
Then the map $\mathbf{T}(R)/ \mu(\mathbf{G}(R)) \to
\mathbf{T}(K)/ \mu(\mathbf{G}(K))$ is injective and a purity theorem holds. These and
other results can be derived from an extended form of the Grothendieck-Serre conjecture
proven in the present paper for any such ring $R$.
How many roots of a system of random Laurent polynomials are real?
Authors: Kazarnovskii B. Ya.
Published: January 2022

We say that a zero of a Laurent polynomial that lies on the unit circle with centre

is real. We also say that a Laurent polynomial that is real on this circle is real. In contrast with ordinary polynomials, it is known that for random real Laurent polynomials of increasing degree the average proportion of real roots tends to

rather than to

. We show that this phenomenon of the asymptotically nonvanishing proportion of real roots also holds for systems of Laurent polynomials of several variables. The corresponding asymptotic formula is obtained in terms of the mixed volumes of certain convex compact sets determining the growth of the system of polynomials.

Bibliography: 11 titles.
Turning traditionally nonwetting surfaces wetting for even ultra-high surface energy liquids
Authors: Wilke Kyle L. , Lu Zhengmao , Song Youngsup , Wang Evelyn N.
Published: January 2022

Significance

Control over the interaction between liquids and surfaces is used in numerous thermofluidic systems, with behaviors ranging from highly repellent to highly wetting. In this work, we demonstrate that surface engineering enables highly wetting behavior from liquid/surface combinations that are typically nonwetting, broadening the design space for thermofluidic systems.
Perfective aspect and perfect aspect
Authors: Jin Lixin , Wang Wei , Xie Kun , Wang Xiaohua , Tang Xiaodong
Published: January 2022

The “perfective” (Chinese term:wánzhěngtǐ) and the “perfect”(Chinese term: wánchéngtǐ) seem to be two different terms that are distinguished by definition. But in the description of actual languages, the boundary between them is not clear. The use of these two terms in many literatures is very arbitrary. This arbitrariness frequently causes confusion in typological studies in tense and aspect. This arbitrary use has a lot to do with the classification and definition ofComrie (1976). Based on a description of the perfective/imperfective distinction in Russian, this paper finds that perfective is sensitive to the inner boundaries of events, and perfect is sensitive to the relation between event time and reference time. Based on a description of the four aspectual markers (zhe, le, guo, andzai) in Mandarin Chinese, this paper finds that they respectively express three different event phases (inchoative, durative and terminative) in realization aspect. The present study shows that Mandarin is not a language sensitive to boundaries of events, but to phasal aspect. Phasal aspect also exists in Japanese.
Asymmetries in two types ofde-related verb-copying constructionsin Mandarin Chinese
Authors: Wang Changsong
Published: January 2022

This article studies Chinese V-desentences from the perspective of verb-copying constructions (VCC) and presents some more evidence in favor of the distinction between descriptive V-deconstructions and resultative V-deconstructions. VCC with descriptive V-desentences (VCCD) and VCC with resultative V-desentences (VCCR) are linearly described as [NP1+ V1+ NP2 + V2 + de +XP]. Five asymmetries, though not very sharp, have been observed between VCCD and VCCR: (a) the movement asymmetry of [V1+NP2], (b) the questioning asymmetry betweenweishenme‘why’ andshenme‘what’, (c) the definiteness asymmetry of NP2, (d) the repetition asymmetry of V1, and (e) the asymmetry of subject-oriented adverbguyi‘intentionally’. To explain these differences, we assume that [V1+NP2] in VCCD is a constituent, acting as an internal topic. While similar analysis cannot be extended to VCCR. We propose instead that [NP1+V1+NP2] is a constituent in VCCR, projecting further into a complex NP and acting as a sentential subject. These structural differences can well explain the five asymmetries from the island effects, and the semantic and pragmatic constraints (on internal topics and subject-oriented adverbs). Meanwhile, based on the restriction of manner adverbial modification, the V2 in VCCD and VCCR is assumed to be externally merged at the morphological level via External Morphological Merger to satisfy the affixal properties ofde. The copying of V1 as V2 is not driven syntactically, but morphologically. This morphosyntactic approach to VCCD and VCCR provides a new perspective to explore V-desentences and VCC, which may shed light on the morphosyntactic studies of Mandarin Chinese from a crosslinguistic perspective.
The syntax and semantics of coherence relations
Authors: Crible Ludivine
Published: January 2022

This corpus-based study investigates the inter-relation between discourse markers (DMs) and other contextual signals that contribute to the interpretation of coherence relations. The objectives are three-fold: (i) to provide a comprehensive and systematic portrait of the syntax and semantics of a set of coherence relations in English; (ii) to draw a distinction between mere tendencies of co-occurrence and strong predictive signals; (iii) to identify factors that account for the variation of these signals, focusing on relation complexity, DM strength and genre preferences. The methodology combines systematic coding (description) and multivariate statistical modelling (prediction). While the effect of genre and relation complexity was found to be null or moderate, the presence of discourse signals systematically varies with the ambiguity of the DM in the relation: signals co-occur more with ambiguous DMs than with more informative ones.