bluuebunny/crossref_metadata_2025 huggingface dataset:
Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate
Authors: Gao Chang , Liu Caiyun , Said Amir , Niu Huihui , Wang Dexin , Wang Guo , Tung Chen-Ho , Wang Yifeng
Published: February 2022

Six new titanium-oxide clusters functionalized with 2-picolinate ligands (PA) are reported. PA binds on the surfaces of the clusters with both pyridyl-N and carboxylate-O. N–Ti bonding brings about ligand-to-metal charge transfer.
Giant barocaloric effects with a wide refrigeration temperature range in ethylene vinyl acetate copolymers
Authors: Zhang Chengliang , Wang Dunhui , Qian Suxin , Zhang Zhengming , Liang Xiaohui , Wu Liqian , Long Liyuan , Shi Haifeng , Han Zhida
Published: February 2022

We introduce a liquid–solid phase transition material system: ethylene vinyl acetate copolymers, which show giant barocaloric effects with wide refrigeration temperature ranges from the solid-state to the liquid-state.
Easy and rapid chemosensing method for the identification of accumulated tin in algae: a strategy to protect a marine eco-system
Authors: Saha Shrabani , Kamila Sreejata , Chattopadhyay Ansuman , Sahoo Prithidipa
Published: February 2022

A simple and potent chemosensor AFL has been successfully developed to recognize Sn2+ selectively in marine algae or, more precisely, seaweed, as they are at huge risk from marine contamination.
Cascade cyclization for the synthesis of indolo[2,1-α]isoquinoline derivatives via visible-light-induced halogen-atom-transfer (XAT) and hydrogen-atom-transfer (HAT)
Authors: Ma Na , Guo Lin , Shen Zheng-Jia , Qi Dan , Yang Chao , Xia Wujiong
Published: February 2022

A metal-free photoredox cascade cyclization for the synthesis of indolo[2,1-α]isoquinoline derivatives via XAT and HAT conditions is herein reported.
Machine learning analysis of self-assembled colloidal cones
Authors: Doan David , Echeveste Daniel J. , Kulikowski John , Gu X. Wendy
Published: February 2022

Synthetic and experimental data is used to train a machine learning model to identify self-assembled, self-stacking cones at high accuracy (∼85% mAP).
Artificial cell membrane camouflaged immunomagnetic nanoparticles for enhanced circulating tumor cell isolation
Authors: Zhou Xiaoxi , Zhang Yujia , Kang Ke , Zhu Nanhang , Cheng Jia , Yi Qiangying , Wu Yao
Published: February 2022

Artificial cell membrane camouflage made from commercialized lipid and protein was introduced onto immunomagnetic beads for enhanced CTCs isolation.
Recent advances in vanadium pentoxide (V2O5) towards related applications in chromogenics and beyond: fundamentals, progress, and perspectives
Authors: Le Top Khac , Pham Phuong V. , Dong Chung-Li , Bahlawane Naoufal , Vernardou Dimitra , Mjejri Issam , Rougier Aline , Kim Sok Won
Published: February 2022

Smart multifunctional V2O5 is an appealing oxide for energy-saving and energy-storage applications.
A copper-based 2D hybrid perovskite solar absorber as a potential eco-friendly alternative to lead halide perovskites
Authors: Hamdi Intissar , Khan Yeasin , Aouaini Fatma , Seo Jung Hwa , Koo Hyun-Joo , Turnbull Mark M. , Walker Bright , Naïli Houcine
Published: February 2022

Hybrid organic–inorganic perovskites (HOIPs) have attracted considerable attention for their scientific and technological potential in photovoltaics and optoelectronic devices.
Sodium doping for enhanced performance by highly efficient CsPbBr3 quantum dot-based electroluminescent light-emitting diodes
Authors: Huang Yi , Tang Pengfei , Zhang Wenxia , Yan Wensheng , Liu Bin , Tang Xiaosheng , Wang Zhen , Peng Yue , Chen Weiwei
Published: February 2022

A facile and convenient room-temperature method for synthesizing Na+-ion-doped CsPbBr3 QDs was developed. The photoluminescence performance is improved and high-performance QLED devices are prepared.
Reductive depolymerization of polyesters and polycarbonates with hydroboranes by using a lanthanum(iii) tris(amide) catalyst
Authors: Kobylarski Marie , Berthet Jean-Claude , Cantat Thibault
Published: February 2022

We report the reductive depolymerization of some oxygenated polymers (polyesters and polycarbonates) with the reductants hydroboranes and catalyzed by La(N{SiMe3}2)3.
The Near-Infrared Spectrograph (NIRSpec) on theJames WebbSpace Telescope
Authors: Jakobsen P. , Ferruit P. , Alves de Oliveira C. , Arribas S. , Bagnasco G. , Barho R. , Beck T. L. , Birkmann S. , Böker T. , Bunker A. J. , Charlot S. , de Jong P. , de Marchi G. , Ehrenwinkler R. , Falcolini M. , Fels R. , Franx M. , Franz D. , Funke M. , Giardino G. , Gnata X. , Holota W. , Honnen K. , Jensen P. L. , Jentsch M. , Johnson T. , Jollet D. , Karl H. , Kling G. , Köhler J. , Kolm M.-G. , Kumari N. , Lander M. E. , Lemke R. , López-Caniego M. , Lützgendorf N. , Maiolino R. , Manjavacas E. , Marston A. , Maschmann M. , Maurer R. , Messerschmidt B. , Moseley S. H. , Mosner P. , Mott D. B. , Muzerolle J. , Pirzkal N. , Pittet J.-F. , Plitzke A. , Posselt W. , Rapp B. , Rauscher B. J. , Rawle T. , Rix H.-W. , Rödel A. , Rumler P. , Sabbi E. , Salvignol J.-C. , Schmid T. , Sirianni M. , Smith C. , Strada P. , te Plate M. , Valenti J. , Wettemann T. , Wiehe T. , Wiesmayer M. , Willott C. J. , Wright R. , Zeidler P. , Zincke C.
Published: February 2022

We provide an overview of the design and capabilities of the near-infrared spectrograph (NIRSpec) onboard theJames WebbSpace Telescope. NIRSpec is designed to be capable of carrying out low-resolution (R = 30−330) prism spectroscopy over the wavelength range 0.6–5.3 μm and higher resolution (R = 500−1340 orR = 1320−3600) grating spectroscopy over 0.7–5.2 μm, both in single-object mode employing any one of five fixed slits, or a 3.1 × 3.2 arcsec2integral field unit, or in multiobject mode employing a novel programmable micro-shutter device covering a 3.6 × 3.4 arcmin2field of view. The all-reflective optical chain of NIRSpec and the performance of its different components are described, and some of the trade-offs made in designing the instrument are touched upon. The faint-end spectrophotometric sensitivity expected of NIRSpec, as well as its dependency on the energetic particle environment that its two detector arrays are likely to be subjected to in orbit are also discussed.
Heavy-quark effects on cold quark matter and self-bound stars
Authors: Jiménez José C. , Fraga Eduardo S.
Published: February 2022

The heavy-quark effects on the equation of state for cold and dense quark matter are obtained from perturbative QCD, yielding observables parametrized only by the renormalization scale. In particular, we investigate the thermodynamics of charm quark matter under the constraints of β equilibrium and electric charge neutrality in a region of densities where perturbative QCD is, in principle, much more reliable. Finally, we analyze the stability of charm stars, which might be realized as a new branch of ultradense hybrid compact stars, and find that such self-bound stars are unstable under radial oscillations.
Prospects for the NA60+ experiment at the CERN SPS
Authors: De Falco Alessandro ,   for the NA60+ Collaboration
Published: February 2022

A new heavy-ion experiment on fixed target, NA60+, has been proposed at the CERN SPS for data taking in the next years. Its main goals will be focused on precision studies of thermal dimuons, heavy quark and strangeness production in Pb-Pb collisions at center-of-mass energies ranging from 5 to 17 GeV, which will provide a unique opportunity to investigate the region of the QCD phase diagram at high baryochemical potential (μB ~ 200 – 400 MeV). The key points of the NA60+ very broad and ambitious physics program will be described.
Hyperon Global Polarization in Nucleus-Nucleus Collisions at sub-10-GeV Beam Energy
Authors: Guo Yu , Liao Jinfeng , Wang Enke , Xing Hongxi , Zhang Hui
Published: February 2022

In this contribution, we report AMPT model study for the hyperon global polarization in the heavy ion collision, especially in the interesting Ô (1 ~ 10) GeV energy region. We find a non-monotonic trend, with the global polarization to first increase and then decrease when beam energy is lowered from 27 GeV down to 3 GeV, with a maximum polarization signal located around √SNN = 7.7 GeV. In addition, local polarization patterns are also computed in the same energy regime.
CME search at STAR
Authors: Hu Yu ,   for the STAR Collaboration
Published: February 2022

The hot and dense medium produced in relativistic heavy-ion collisions has been conjectured to be accompanied by an axial charge asymmetry that may lead to a separation of electric charges in the direction of the extremely strong magnetic field, also known as the Chiral Magnetic Effect (CME) [1–3]. The measurement of azimuthal correlator (∆γ) with respect to the spectator plane [5], gives us an opportunity to measure the possible CME fraction beyond the flow background. Preliminary results using this approach with combined Au+Au collisions at √SNN = 200 GeV and U+U at √SNN = 193 GeV show fCME at (8±4±8)%. Meanwhile, the observability of CME has been conjectured to be dependent on √SNN due to changes in the lifetime of the magnetic field, the strengths of CME signal and non-CME background. At lower energies, the Event Plane Detector (EPD) installed in the year 2018 provides a unique capability for CME search. The background scenario test at Au+Au √SNN = GeV by using ∆γ with respect to TPC and the new installed EPD shows a consistency with no-CME scenario in the current statistics. The method of the ongoing isobar blind analysis, and the latest sensitivity check with the eventby- event AVFD model on the different observables between Ru+Ru and Zr+Zr are also briefly discussed.
A Glioblastoma PDE-ODE model including chemotaxis and vasculature
Authors: Fernández-Romero Antonio , Guillén-González Francisco , Suárez Antonio
Published: February 2022

In this work we analyse a PDE-ODE problem modelling the evolution of a Glioblastoma, which includes chemotaxis term directed to vasculature. First, we obtain some a priori estimates for the (possible) solutions of the model. In particular, under some conditions on the parameters, we obtain that the system does not develop blow-up at finite time. In addition, we design a fully discrete finite element scheme for the model which preserves some pointwise estimates of the continuous problem. Later, we make an adimensional study in order to reduce the number of parameters. Finally, we detect the main parameters determining different width of the ring formed by proliferative and necrotic cells and different regular/irregular behaviour of the tumor surface.
Pourquoi le clinicien est-il en difficulté devant l’adolescent présentant une douleur musculo-squelettique chronique fonctionnelle ? Une étude qualitative
Authors: Loisel Alexandra , Lefèvre Hervé , Quartier Pierre , Lachal Jonathan
Published: February 2022

Contexte : La prise en charge des douleurs musculo squelettiques fonctionnelles chroniques chez l’adolescent est souvent jugée difficile par les patients, leurs familles, et les professionnels eux-mêmes.

Objectifs : Explorer l’expérience des professionnels de santé sur la démarche diagnostique et le parcours de soins des douleurs musculo squelettiques chroniques inexpliquées chez l’adolescent et le jeune adulte (11-19 ans).

Méthode : Étude qualitative observationnelle menée dans trois centres hospitaliers universitaires de référence de rhumatologie de l’adolescent et du jeune adulte à l’aide d’une approche phénoménologique.

Participants : 25 professionnels médecins (rhumatologues, pédiatres, algologue, psychiatre, orthopédiste) ou paramédicaux (kinésithérapeutes, ostéopathes, ergothérapeutes, psychologues) ont été interrogés à l’aide d’entretiens semi-structurés.

Résultats : La douleur fonctionnelle est un diagnostic d’élimination sans être une entité nosologique, ce qui rend son affirmation difficile. La posture de méfiance réciproque entre le praticien, le patient et sa famille et la nécessité d’une approche pluridisciplinaire limite la constitution d’une alliance thérapeutique de bonne qualité. Sa prise en charge demande des compétences et des ressources difficiles d’accès.

Conclusion : Une approche holistique semble la plus constructive pour considérer ces douleurs. Les recherches sur la physiopathologie de la sensibilisation centrale sont prometteuses et pourraient être appliquées à la douleur fonctionnelle de l’adolescent

Why dealing with functional chronic musculoskeletal pain in adolescents is challenging for the clinician: a qualitative study
Antidiabetic Activity of Caulerpa racemosa: Role of
Proinflammatory Mediators, Oxidative Stress, and Other
Biomarkers
Authors: Mandlik Rahul V. , Naik Suresh R. , Zine Sandip , Ved Hemen , Doshi Gaurav
Published: February 2022

A marine alga, Caulerpa racemose (seaweed), exhibits few biological
activities, such as antinociceptive/anti-inflammatory, antitumor, and
growth regulator. This study aimed to determine the antidiabetic activity of
this seaweed. High-performance thin-layer chromatography of C. racemosa
ethanolic extract was performed to identify its active constituents.
Antidiabetic activity of C. racemosa ethanolic extract (100 and
200 mg/kg) was evaluated using various biochemical paradigms
against glipizide (5 mg/kg) in a streptozotocin-induced diabetes
rat model. High-performance thin-layer chromatography revealed
β-sitosterol as an active constituent and also indicated the
presence of saponins and alkaloids. Treatment with C. racemosa ethanolic
extract significantly reduced blood glucose levels in diabetic rats, and the
degree of glucose reduction was comparable to that attained by glipizide
treatment. The C. racemosa ethanolic extract treatment restored the
impaired glycosylated hemoglobin level, liver glycogen level, glucose uptake by
hemidiaphragm, and glucose transport by hepatic cells. Pretreatment with C.
racemosa ethanolic extract also restored lipid abnormalities, elevated
liver enzymes, elevated inflammatory markers, and depleted endogenous
antioxidants. A superior effect was shown by C. racemosa ethanolic
extract (200 mg/kg) over glipizide (5 mg/kg).
Moreover, the restoration of the histoarchitecture of the pancreas by C.
racemosa ethanolic extract (200 mg/kg) was comparable to
that of the glipizide (5 mg/kg) treatment group. The present
experimental findings demonstrate significant antidiabetic activity of C.
racemosa ethanolic extract in diabetic rats using various biochemical
paradigms. Further, C. racemosa ethanolic extract seems to be safe and
does not affect vital organs adversely.
Influence of Metabolic Syndrome on the Recovery from Idiopathic Sudden Sensorineural Hearing Loss
Authors: Breda Miguel Sá , Menezes Ana Sousa , Oliveira Tiago Gil , Dias Luís
Published: February 2022

Introduction Idiopathic sudden sensorineural hearing loss (ISSHL) is a disabling otologic urgency whose ethiopathogenesis is still controversial. Only in recent years metabolic syndrome (MetS) has been implicated as a possible aggravating factor in the prognosis of recovery from ISSHL.

Objective To assess whether the preexistence of MetS interferes on hearing recovery levels.

Methods Retrospective cohort study composed of adult (> 18 years old) ISSHL patients admitted for treatment between January 2015 and December 2019. To diagnose ISSHL, we used pure-tone audiometry, and identified MetS patients based on the criteria of the United States National Cholesterol Education Program Adult Treatment Panel III (NCEP ATP III). The treatment protocol comprised hospitalization for five days for the intravenous administration of dexamethasone, audiometric surveillance, imaging and blood analyses, and, based on recovery, the planning of rescue treatments (intratympanic administration of dexamethasone and/or hyperbaric oxygen). The Siegel criteria were used to evaluate the hearing outcomes.

Results The final sample was composed of 81 patients, 48 without MetS (nMetS) and 33 with MetS. Regarding the Siegel recovery category, the nMetS group had significantly better results (p = 0.001), with 44% of complete recoveries against 6% in the MetS, and 58% of the MetS patients had the worst outcome, contrasting with 27% in the nMetS group. The nMetS group had an overall better evolution in terms of hearing recovery and had a significant improvement in the median hearing gain (20.6 dB versus 8.8 dB; p = 0.008). Additionally, the multivariate analysis revealed that the presence of MetS is a significant risk factor for a worse outcome (odds ratio [OR] = 0.30; 95% confidence interval [95%CI] = 0.10–0.85).

Conclusion Regardless of age, gender, the initial audiometry threshold, and autoimmunity, MetS is a clear risk factor for a worse outcome regarding the recovery of hearing after ISSHL.
Health of the Newborn and Breastfeeding during the COVID-19 Pandemic: A Literature Review
Authors: Salvador-Pinos Carmen Amelia , Martinez Edson Zangiacomi , Dueñas-Matute Susana Eulalia , Aguinaga Rosa Romero de , Jácome Juan Carlos , Michelena-Tupiza Stephanie , Cárdenas-Morales Valheria
Published: February 2022

Objective The present article presents a literature review concerning the microbiota of breast milk and the influence of epigenetics in the susceptibility to COVID-19.

Methods A literature review.

Results Breastfeeding transfers microbiota, nutrients, diverse white blood cells, prebiotics, hormones, and antibodies to the baby, which provide short- and long-term immunological protection against several infectious, gastrointestinal, and respiratory illnesses. The little evidence available shows that breast milk very rarely carries the SARS-CoV-2 virus, and even in those cases, it has been discarded as the source of contagion.

Conclusion The reviewed studies show evidence of a beneficial effect of breastfeeding and highlights its importance on the current pandemic due to the immune reinforcement that it provides. Breastfed individuals showed better clinical response due to the influence on the microbiota and to the nutritional and immune contribution provided by breast milk, compared with those who were not breastfed.
Global governance and the Global Green New Deal: the G7’s role
Authors: Johnstone Injy
Published: February 2022

Current headlines suggest that the world at large has missed the opportunity to ‘build back better’ from COVID-19 by way of a green recovery. However, such claims do not consider novel trends among plurilateral summit institutions, especially the extent to which global governance of a green recovery is encapsulated by the burgeoning norm bundle of the ‘Global Green New Deal’. Plurilateral summit institutions like the G20, G7 and the BRICS have the potential to play a key governance role in implementing a Global Green New Deal, given the breadth and depth of reform required to ‘build back better’ from COVID-19. This contribution adopts a practice-relationist methodology to explore this thesis. Green recovery practice is analysed through novel interrogation of the open-source stimulus spending data of the Global Recovery Observatory. The results reveal that the G7, the G20 and the BRICS are all funding proportionally more clean than dirty stimulus in response to COVID-19. However, the proportion of clean stimulus is much stronger among members of the G7. A relationist frame is then used to assess this practice against the potential norm entrepreneurship role of the G7, both as individual member states and as a collective. It concludes that although this norm entrepreneurship role is undoubtedly nascent, it yields valuable insights into the pathways and barriers for further norm diffusion of the Global Green New Deal among plurilateral summit institutions. In this way it highlights the unique role plurilateral summit institutions can play in not only globalising the green new deal, but crucially operationalising it. Thus, while the world may not yet be ‘building back better’ as a collective, it is institutional norm entrepreneurs who currently hold the blueprints.
Effects of longitudinal magnetic fields on the quasi-equilibrium propagation and focusing of a laser beam in a plasma channel
Authors: Chen Yue , Liu Mingping , Deng ChenTao , Wang Haipeng , Deng Suhui
Published: February 2022

The propagation of a laser beam in a parabolic plasma channel in a longitudinal magnetic field is investigated, taking into account the effects of relativistic self-focusing (RSF), channel focusing (CF), and ponderomotive self-channeling (PSC). A variational method is used to derive the equation describing the evolution of the laser spot size. The critical powers for the quasi-equilibrium solution and for constant spot size are obtained and the evolution of the spot size is categorized into three regimes: periodic-defocusing oscillations, periodic-focusing oscillations, and catastrophic focusing. The external magnetic field enhances RSF more than CF or PSC. Increasing the external magnetic field significantly reduces the two critical powers, allowing the focused laser beam to propagate farther in quasi-equilibrium in a wide channel created by a laser beam with a lower power threshold.
Optimal design of high-voltage DC power supply of 1.2 MV/45 mA applied to boron neutron capture therapy system
Authors: Min Sun-Hong , Park Chawon , Ma Sukhwal , Kim Minho , Kim Kyeong Min , Park Seungwoo , Jung Hyunwoo , Lee Kyo Chul , Lee Yong Jin , Hong Bong Hwan
Published: February 2022

To build a proton beam accelerator that can be applied to a boron neutron capture therapy system based on an electrostatic accelerator, a high-voltage direct-current (DC) power supply system equivalent to the generation of neutrons should be provided. The symmetrical Cockcroft–Walton voltage multiplier method is suitable for stable acceleration of the proton beam in the tandem electrostatic accelerator in this system. Before the second step-up with the Cockcroft–Walton circuit, the design of the inverter is prioritized by preponderantly considering the first voltage and resonance frequency. Moreover, the optimized stacking number is determined with consideration of the ripple voltage, voltage drop, average output voltage, and fundamental harmonics, and a design is performed to set related parameter values to be stable in the flat-top region of the voltage. A high-voltage DC power supply system of 1.2 MV/45 mA is needed for a stable terminal energy of 2.4 MeV/20 mA. Such a design can be optimized by securing reliable data using a simulation tool on the basis of theoretical calculations. This will become a formidable touchstone in manufacturing technology based on acquiring practical know-how for setting up a tandem electrostatic accelerator-based boron neutron capture therapy system in the future.
Recent progress on cubic boron arsenide with ultrahigh thermal conductivity
Authors: Pan Fengjiao , Udalamatta Gamage Geethal Amila Gamage , Sun Haoran , Ren Zhifeng
Published: February 2022

Predictions of ultrahigh thermal conductivity in boron arsenide using first-principles calculations have motivated research to synthesize crystals and investigate their properties. In 2018, three groups reported synthesizing small single crystals of boron arsenide that exhibit thermal conductivity of 700–1300 W m−1 K−1 at room temperature. The progress in crystal growth has attracted significant attention and has inspired additional theoretical and experimental research. This brief review provides an overview of recent theoretical and experimental studies on boron arsenide, mostly since 2018. Progress in theoretical calculations, synthesis methods, characterizations, physical properties, and potential applications are presented, followed by a discussion of the remaining challenges and outlook for boron arsenide research.
Performance of nanoparticles for biomedical applications: The in vitro/in vivo discrepancy
Authors: Berger Simone , Berger Martin , Bantz Christoph , Maskos Michael , Wagner Ernst
Published: February 2022

Nanomedicine has a great potential to revolutionize the therapeutic landscape. However, up-to-date results obtained from in vitro experiments predict the in vivo performance of nanoparticles weakly or not at all. There is a need for in vitro experiments that better resemble the in vivo reality. As a result, animal experiments can be reduced, and potent in vivo candidates will not be missed. It is important to gain a deeper knowledge about nanoparticle characteristics in physiological environment. In this context, the protein corona plays a crucial role. Its formation process including driving forces, kinetics, and influencing factors has to be explored in more detail. There exist different methods for the investigation of the protein corona and its impact on physico-chemical and biological properties of nanoparticles, which are compiled and critically reflected in this review article. The obtained information about the protein corona can be exploited to optimize nanoparticles for in vivo application. Still the translation from in vitro to in vivo remains challenging. Functional in vitro screening under physiological conditions such as in full serum, in 3D multicellular spheroids/organoids, or under flow conditions is recommended. Innovative in vivo screening using barcoded nanoparticles can simultaneously test more than hundred samples regarding biodistribution and functional delivery within a single mouse.
Approximate atomic models for fast computation of the Fokker–Planck equation in fusion plasmas with high-Z impurities and suprathermal electrons
Authors: Walkowiak J. , Jardin A. , Bielecki J. , Peysson Y. , Mazon D. , Dworak D. , Król K. , Scholz M.
Published: February 2022

With the choice of tungsten as a material for the ITER plasma facing components, the suprathermal electron interaction with non-fully ionized impurities emerged as an important issue in plasma modeling. Microwave heating and current drive systems, especially lower hybrid current drive, can generate a significant population of suprathermal electrons in the plasma. Also, in the case of the runaway electron generation and mitigation by massive gas injection, the collisions with impurities can have a significant impact on the electron drag force. A correct description of the fast electrons collisions with non-fully ionized impurities requires calculation of the atomic form factor. This can be done with ab initio models that are accurate, though time consuming in practical applications. In this paper, we compare existing approximations of the form factors, based on the Thomas–Fermi or Pratt–Tseng models. Ab initio density functional theory (DFT) calculations are used as a reference method to determine the accuracy of the compared models. Based on this analysis, we propose some modifications of the existing models, tuned with numerical parameter optimization, which provide a higher accuracy while maintaining a short computation time. These modifications include multiple exponents in the Pratt–Tseng model and fitting the parameters of the form factor equation to the DFT-based results. Some applications of the presented models to the calculation of the elastic and inelastic collision frequencies for Fokker–Planck equation are presented, showing a good agreement between the results obtained with the DFT method and the proposed models.
Significant displacement of calcium and barium ions in ferroelectric (Ba0.9Ca0.1)TiO3 revealed by x-ray fluorescence holography
Authors: Yamamoto Y. , Kawamura K. , Sugimoto H. , Gadelmawla A. , Kimura K. , Happo N. , Tajiri H. , Webber K. G. , Kakimoto K. , Hayashi K.
Published: February 2022

The x-ray fluorescence holography technique is applied to perovskite (Ba0.9Ca0.1)TiO3 ferroelectrics in order to investigate the local structures around the Ca and Ba ions at the A-site. While the A-site atomic images around the Ba ion can be well understood based on the BaTiO3 structure, those around the Ca ion are located at the closer positions to the emitter. Furthermore, the shape of the atomic image around the Ca ion is elongated in the radial direction. These features clearly show the local lattice contraction around the Ca ion and a significant displacement of the Ca ions from the ideal position. On the basis of the detailed analysis of the position and the shape of the atomic image around the Ca ion, it is found that the Ca ions are displaced by ∼0.36 Å in the ⟨111⟩ direction, and the surrounding Ba ions are displaced by ∼0.22 Å in the ⟨100⟩ direction. The present results indicate that the doped Ca ions activate the A-site polarization of this compound, which can lead to an enhancement of the ferroelectric and piezoelectric performances.
Effortless estimation of basins of attraction
Authors: Datseris George , Wagemakers Alexandre
Published: February 2022

We present a fully automated method that identifies attractors and their basins of attraction without approximations of the dynamics. The method works by defining a finite state machine on top of the dynamical system flow. The input to the method is a dynamical system evolution rule and a grid that partitions the state space. No prior knowledge of the number, location, or nature of the attractors is required. The method works for arbitrarily high-dimensional dynamical systems, both discrete and continuous. It also works for stroboscopic maps, Poincaré maps, and projections of high-dimensional dynamics to a lower-dimensional space. The method is accompanied by a performant open-source implementation in the DynamicalSystems.jl library. The performance of the method outclasses the naïve approach of evolving initial conditions until convergence to an attractor, even when excluding the task of first identifying the attractors from the comparison. We showcase the power of our implementation on several scenarios, including interlaced chaotic attractors, high-dimensional state spaces, fractal basin boundaries, and interlaced attracting periodic orbits, among others. The output of our method can be straightforwardly used to calculate concepts, such as basin stability and final state sensitivity.
Critical comparison of collisionless fluid models: Nonlinear simulations of parallel firehose instability
Authors: Jikei Taiki , Amano Takanobu
Published: February 2022

Two different fluid models for collisionless plasmas are compared. One is based on the classical Chew–Goldberger–Low (CGL) model that includes a finite Larmor radius correction and the Landau closure for the longitudinal mode. Another one takes into account the effect of cyclotron resonance in addition to Landau resonance and is referred to as the cyclotron resonance closure (CRC) model [T. Jikei and T. Amano, Phys. Plasmas 28, 042105 (2021)]. While the linear property of the parallel firehose instability is better described by the CGL model, the electromagnetic ion cyclotron instability driven unstable by the cyclotron resonance is reproduced only by the CRC model. Nonlinear simulation results for the parallel firehose instability performed with the two models are also discussed. Although the linear and quasilinear isotropization phases are consistent with theory in both models, long-term behaviors may be substantially different. The final state obtained by the CRC model may be reasonably understood in terms of the marginal stability condition. In contrast, the lack of cyclotron damping in the CGL model makes it rather difficult to predict the long-term behavior with simple physical arguments. This suggests that incorporating collisionless damping both for longitudinal and transverse modes is crucial for a nonlinear fluid simulation model of collisionless plasmas.
Diagnostics of RF coupling in H− ion sources as a tool for optimizing source design and operational parameters
Authors: Briefi S. , Zielke D. , Rauner D. , Fantz U.
Published: February 2022

Radio frequency (RF) driven H− ion sources are operated at very high power levels of up 100 kW in order to achieve the desired performance. For the experimental setup, these are demanding conditions possibly limiting the source reliability. Therefore, assessing the optimization potential in terms of RF power losses and the RF power transfer efficiency η to the plasma has moved to the focus of both experimental and numerical modeling investigations at particle accelerator and neutral beam heating sources for fusion plasmas. It has been demonstrated that, e.g., at typical neutral beam injection ion source setups, about half of the RF power provided by the generator is lost in the RF coil and the Faraday shield due to Joule heating or via eddy currents. In a best practice approach, it is exemplarily demonstrated at the ITER RF prototype ion source how experimental evaluation accompanied by numerical modeling of the ion source can be used to improve η. Individual optimization measures regarding the Faraday shield, the RF coil, the discharge geometry, the RF driving frequency, and the application of ferrites are discussed, which could reduce the losses by a factor of two. The provided examples are intended as exemplary guidelines, which can be applied at other setups in order to achieve with low-risk effort an optimized ion source design in terms of reduced losses and hence increased reliability.
A super-resolution technique to analyze single-crystal inelastic neutron scattering measurements using direct-geometry chopper spectrometers
Authors: Lin Jiao Y. Y. , Sala Gabriele , Stone Matthew B.
Published: February 2022

Direct-geometry time-of-flight chopper neutron spectroscopy is instrumental in studying dynamics in liquid, powder, and single crystal systems. We report here that real-space techniques in optical imagery can be adapted to obtain reciprocal-space super resolution dispersion for phonon or magnetic excitations from single-crystal neutron spectroscopy measurements. The procedure to reconstruct super-resolution energy dispersion of excitations relies on an accurate determination of the momentum and energy-dependent point spread function and a dispersion correction technique inspired by an image disparity calculation technique commonly used in stereo imaging. Applying these methods to spinwave dispersion data from a virtual neutron experiment demonstrates ∼5-fold improvement over nominal energy resolution.
Nuclear lamins: Structure and function in mechanobiology
Authors: Vahabikashi Amir , Adam Stephen A. , Medalia Ohad , Goldman Robert D.
Published: February 2022

Nuclear lamins are type V intermediate filament proteins that polymerize into complex filamentous meshworks at the nuclear periphery and in less structured forms throughout the nucleoplasm. Lamins interact with a wide range of nuclear proteins and are involved in numerous nuclear and cellular functions. Within the nucleus, they play roles in chromatin organization and gene regulation, nuclear shape, size, and mechanics, and the organization and anchorage of nuclear pore complexes. At the whole cell level, they are involved in the organization of the cytoskeleton, cell motility, and mechanotransduction. The expression of different lamin isoforms has been associated with developmental progression, differentiation, and tissue-specific functions. Mutations in lamins and their binding proteins result in over 15 distinct human diseases, referred to as laminopathies. The laminopathies include muscular (e.g., Emery–Dreifuss muscular dystrophy and dilated cardiomyopathy), neurological (e.g., microcephaly), and metabolic (e.g., familial partial lipodystrophy) disorders as well as premature aging diseases (e.g., Hutchinson–Gilford Progeria and Werner syndromes). How lamins contribute to the etiology of laminopathies is still unknown. In this review article, we summarize major recent findings on the structure, organization, and multiple functions of lamins in nuclear and more global cellular processes.
Astrochemistry in the terahertz gap
Authors: Widicus Weaver Susanna L.
Published: February 2022

New capabilities are enabling laboratory spectroscopists to acquire more molecular spectra that advance our chemical understanding of the universe.
Medical homes and chronic care: consumer lessons for regional Australia
Authors: O’Loughlin Mary , West Caryn , Mills Jane
Published: February 2022

Medical home models of care, including Australia’s Health Care Homes, have the potential to improve health service delivery. This qualitative study explored the primary healthcare experience of people living with chronic conditions in a regional community. The study aim was to use consumer perspectives to inform the further development of a medical home-type model for regional Australia. Participants were recruited from the emergency department of a north Queensland hospital. Twenty-one adults (aged ≥18 years) participated in interviews, using a semi-structured schedule. Inductive, deductive and abductive analyses were guided by grounded theory methods. Participants were committed to an individual GP, rather than a practice organisation. This finding has implications for medical homes, as individuals may choose not to access team-based practice care. Most participants perceived they currently received high-quality GP care, although challenges were identified. These challenges included disconnected after-hours care and uncertainty around the cost of care. Those living with complex, uncommon, chronic conditions felt the most disenfranchised from existing care models, and could benefit from increased engagement with a medical home-type model. Strengthening the continuity of care between GPs both within and outside the practice may enhance service delivery. Involving consumers in the design of care models supports health services that are fit-for-purpose.
Capsaicin prevents radiotherapy-induced premature ovarian failure in rats
Authors: Akdemir Yesim , Akpolat Meryem , Elmas Ozlem , Kececi Mete , Buyukuysal Cagatay , Cetinkaya Busra , Guleryuz Nurten
Published: February 2022

Ionising radiation exposure of 5–10 gray (Gy) to the pelvic area induces premature ovarian failure (POF). Twenty-four young adult Wistar albino female rats were were treated with subcutaneous capsaicin 0.5 mg/kg per day or placebo for 10 days then exposed to whole body irradiation. Rats were randomly divided into four groups: (1) control; (2) capsaicin; (3) radiation only (IR): rats were injected with placebo before exposure to a single dose of 8.3-Gy whole body irradiation; (4) radiation–capsaicin (IR + CAP): rats were injected with capsaicin prior to whole body irradiation. Radiation triggered oxidative stress, increased ovarian inflammation, increased follicular apoptosis and diminished ovarian follicle pool. Capsaicin significantly ameliorated oxidative stress by decreasing serum total oxidant status, oxidative stress index, disulphide, and malondialdehyde levels (P ≤ 0.001); ovarian inflammatory status by decreasing expressions of TNF-α, IL-1β, PARP-1 (P = 0.002); apoptosis by decreasing expressions of active caspase-3 and p53 (P = 0.015, P = 0.002); and follicle counts by increasing primordial follicles and decreasing apoptotic follicles (P ≤ 0.001) in rats when administered before radiation exposure. The beneficial effects of capsaicin are demonstrated for the first time on ionising radiation exposed rat ovaries. Capsaicin pre-treatment before radiotherapy restores the primordial follicle pool, inhibits atresia of ovarian follicles and may be an acceptable therapeutic modality to prevent radiation-induced POF.
miR-182 targeting reprograms tumor-associated macrophages and limits breast cancer progression
Authors: Ma Chengxin , He Dasa , Tian Pu , Wang Yuan , He Yunfei , Wu Qiuyao , Jia Zhenchang , Zhang Xue , Zhang Peiyuan , Ying Hao , Jin Zi-Bing , Hu Guohong
Published: February 2022

Significance

Breast cancer is a major threat of women’s health worldwide. Nontumor cell components play crucial roles in cancer. Macrophages, the cells of the innate immune system that normally exert antitumor activities, can be educated by tumors to an alternatively activated phenotype that is known to promote tumor progression. Understanding the mechanism of macrophage education by tumor cells will help the design of new therapeutic approaches. We find that breast tumor cells induce the expression of a microRNA, miR-182, in macrophages, and miR-182 promotes macrophage alternative activation to drive tumor development. Importantly, using cationized mannan-modified extracellular vesicles to load miR-182 inhibitors and deliver the inhibitors specifically into macrophages can effectively inhibit alternative activation of macrophages and suppress breast tumor development.
EURAMET Key Comparison EURAMET.M.D-K4.2020: Hydrometer calibration comparison from 600 kg/m3 to 2000 kg/m3
Authors: Malengo Andrea , Eppers Daniela , Akcadag Umit Y , Furtado Andreia , Schiebl Markus , Vamossy Csilla , Bebic Jelena , Milutinovic Milan , Jintao Wang
Published: February 2022

Main text

This report presents the results of the key comparison EURAMET.M.D-K4.2020 (EURAMET 1496) that covered the calibration of high-resolution hydrometers for liquid in the density range 600 kg/m3 to 2000 kg/m3 at the reference temperature of 20 oC. Nine laboratories participated in this key comparison, eight European national metrology institutes and one from Asia Pacific metrology: NIM from China. The participating laboratories were initially divided into two petals linked by two density laboratories: INRIM and PTB. In each petal, four similar transfer standards, hydrometers in the density range 600 kg/m3 to 2000 kg/m3 are used.

The equipment used by the participants was found to have very similar characteristics. Most of the declared relative uncertainties were within the 5x10-5.

The results of all participated laboratories have been linked to the CIPM key comparison CCM.D-K4 by INRIM and PTB. Discrepant results have been reported for three laboratories, which, however, do not affect their CMCs.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
SIM.M.P-S8 final report
Authors: Espinoza M , Flores A , Vega N , Baez R
Published: February 2022

Main text

This report shows the final results of the bilateral comparison SIM.M.P-S8 between the Custodian Laboratory of National Pressure Standards of Chile, LCPN-P (with the National Aeronautics Company - ENAER) and the National Institute of Technology, Standardization and Metrology, INTN of Paraguay, in the field of hydraulic pressure up to 70 MPa. The comparison was carried out between December 2011 and May 2012. Each laboratory used a pressure balance as a reference standard covering the range from 7 MPa to 70 MPa for the comparison. The transfer standard for the comparison was a digital manometer OMEGA, PCL-3000-4 with an accuracy of 0.05 % of full scale and a resolution of 0.01 MPa.

The pilot laboratory, LCPN-P, provided the transfer standard and made the analysis of the results, while the reference value was provided by INTN Paraguay.

An analysis of compatibility between the results of the present bilateral comparison and the supplementary comparison SIM.M.P-S7 was made, obtaining satisfactory results, which enables a link between both comparisons.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Material classification based on Dual-Energy Micro-CT images by the Gaussian mixture model.
Authors: Mami-Zadeh H. , Solgi R. , Carrier J.-F. , Ghadiri H.
Published: February 2022

This study aimed to implement an unsupervised classification
method through the Gaussian mixture model to classify different
materials using the scatter diagram of the linear attenuation
coefficients acquired from dual-energy micro-CT imaging. This method
estimates each cluster's distribution parameters and performs
classification based on the posterior probability with a
pre-determined cluster number. Our studies on dual-energy images of
a phantom showed that the distribution of linear attenuation
coefficient of different materials on the scatter diagram has a
Gaussian distribution, and clusters can be classified using
model-based clustering. The result of this classification method is
related to the actual materials in the phantom, where a specific
cluster represents each material. This classification method can be
potentially used when the clusters are overlapped and the material
is separated with high accuracy.
Effectiveness of the Bacillus subtilis genome-reduced strain as an ethanol production host
Authors: Grinanda Dita , Hirasawa Takashi
Published: February 2022

We investigated the performance of a genome-reduced strain of Bacillus subtilis MGB874, whose 0.87 Mbp of genomic DNA was cumulatively deleted, as an ethanol production host. A recombinant strain A267_EtOH was constructed by introducing the pdc and adhB genes from Zymomonas mobilis, both of which were expressed from an isopropyl-β-d-1-thiogalactopyranoside-inducible spac promoter, into the A267 strain, a tryptophan prototrophic derivative of the MGB874 with disruption of metabolic pathways for producing lactic acid, acetic acid, and acetoin. Focusing on the stationary phase in fed-batch fermentation, 1.6 g L−1 ethanol was produced by the A267_EtOH strain after 144 h. Moreover, its ethanol production further increased by approximately 3.7-fold (5.9 g L−1) at 80 h through replacing the spac promoter for expressing pdc and adhB genes with the lytR promoter and the yield was about 112%. These results indicate that the MGB874 is an effective host for ethanol production during the stationary phase.
Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term
Authors: Zheng Liangzhen , Meng Jintao , Jiang Kai , Lan Haidong , Wang Zechen , Lin Mingzhi , Li Weifeng , Guo Hongwei , Wei Yanjie , Mu Yuguang
Published: February 2022

Scoring functions are important components in molecular docking for structure-based drug discovery. Traditional scoring functions, generally empirical- or force field-based, are robust and have proven to be useful for identifying hits and lead optimizations. Although multiple highly accurate deep learning- or machine learning-based scoring functions have been developed, their direct applications for docking and screening are limited. We describe a novel strategy to develop a reliable protein–ligand scoring function by augmenting the traditional scoring function Vina score using a correction term (OnionNet-SFCT). The correction term is developed based on an AdaBoost random forest model, utilizing multiple layers of contacts formed between protein residues and ligand atoms. In addition to the Vina score, the model considerably enhances the AutoDock Vina prediction abilities for docking and screening tasks based on different benchmarks (such as cross-docking dataset, CASF-2016, DUD-E and DUD-AD). Furthermore, our model could be combined with multiple docking applications to increase pose selection accuracies and screening abilities, indicating its wide usage for structure-based drug discoveries. Furthermore, in a reverse practice, the combined scoring strategy successfully identified multiple known receptors of a plant hormone. To summarize, the results show that the combination of data-driven model (OnionNet-SFCT) and empirical scoring function (Vina score) is a good scoring strategy that could be useful for structure-based drug discoveries and potentially target fishing in future.