bluuebunny/crossref_metadata_2025 huggingface dataset:
iv-pro-medico informiert Ärztinnen und Ärzte über die Invalidenversicherung
Authors:   Informationsstelle AHV/IV
Published: February 2023

Zusammenfassung. iv-pro-medico.ch ist eine Informationsplattform für Ärztinnen und Ärzte, die ihnen die Invalidenversicherung erklärt. Sie enthält einfach zugängliche und übersichtlich strukturierte Informationen. Damit erleichtert sie die Zusammenarbeit der Ärztinnen und Ärzte mit der IV.
Integration der Versichertenperspektive in die Qualitätsbewertung der Begutachtung
Authors: Rosburg Timm , Lohss Regine , Bachmann Monica S. , Meyer Brigitte Walter , Boer Wout de , Fischer Katrin , Kunz Regina
Published: February 2023

Zusammenfassung. In der gegenwärtigen Praxis von medizinischen IV- und anderen Rentenbegutachtungen fehlt Versicherten in der Schweiz eine Möglichkeit, routinemässig Rückmeldung darüber zu geben, inwieweit sie sich durch die Gutachter respekt- und würdevoll behandelt fühlten. Dies scheint aber gelegentlichen Beschwerden zufolge nicht immer gegeben. Um solche Aspekte der interaktiven Fairness systematisch erfassen zu können, haben wir einen Fragebogen entwickelt, den Basler Fairness Fragebogen (BFF). Im BFF werden 30 Aussagen wie «Der Gutachter hörte mir zu.» vorgegeben, denen der Versicherte vierfach gestuft zustimmen kann (von «Ich stimme überhaupt nicht zu.» bis «Ich stimme voll und ganz zu.»). Zur Validierung des BFF füllten 305 IV-Antragsteller den Fragebogen im Anschluss an ihre medizinische Begutachtung aus. Eine Faktorenanalyse über die beantworteten Fragen bestätigte unsere Annahme, dass durch die Fragen des BFF die Bereiche 1) Respekt und Vertrauen, 2) Partizipation, 3) Fallvertrautheit des Gutachters und 4) Transparenz des Begutachtungsprozedere abgedeckt wurden. Des Weiteren konnten in unserer Studie die divergente und konvergente Validität des BFF mit anderen Fragebogeninstrumenten demonstriert werden. Mit dem BFF eröffnet sich die Möglichkeit, das abstrakte Konzept Fairness anhand von Einschätzungen konkreten Gutachterverhaltens zu erfassen. Wir erwarten, dass der Fragebogen so einen Beitrag zur Qualitätssicherung in diesem sensiblen Bereich leisten kann.
Rifting‐Driven Magmatism Along the Dead Sea Continental Transform Fault
Authors: Haddad A. , Chiarabba C. , Lazar M. , Mazzini A. , Polonia A. , Gasperini L. , Lupi M.
Published: February 2023

The Dead Sea Fault (DSF) is a crustal‐scale continental transform fault separating the African and the Arabian plates. Neogene to Quaternary volcanic activity is well‐spread in Northern Israel. Yet, the origin of the magmas that fed the eruptions is still unpinned. Our local earthquake tomography depicts velocity distributions typical of rifting settings. At 9 km depth, a prominent high Vp/Vs anomaly marks the presence of cooling melts. We propose that protracted transtension along the DSF caused crustal thinning promoting the emplacement of magmatic bodies. Crustal emplacements of magmas in Northern Israel reconcile multiple observations, including the high geothermal gradient, the prominent magnetic anomalies and the traces of mantle‐derived fluids in the springs across the Sea of Galilee. We provide a compelling evidence for rifting in segments of the DSF and identify the potential source of magmatism that fed part of the volcanic activity of the area.
Toward Improved Parameterizations of Reservoir Operation in Ungauged Basins: A Synergistic Framework Coupling Satellite Remote Sensing, Hydrologic Modeling, and Conceptual Operation Schemes
Authors: Dong Ningpeng , Yang Mingxiang , Wei Jianhui , Arnault Joël , Laux Patrick , Xu Shiqin , Wang Hao , Yu Zhongbo , Kunstmann Harald
Published: February 2023

Assessments of water and energy security over historical and future periods require hydrologic models that can accurately simulate reservoir operations. However, scare reservoir operation data limits the accuracy of current reservoir representations in simulating reservoir behaviors. Furthermore, the reliability of these representations under changing inflow regimes remains unclear, which makes their application for long future planning horizons questionable. To this end, we propose a synergistic framework to predict the release, storage, and hydropower production of ungauged reservoirs (i.e., reservoirs without in‐situ inflow, release, storage, and operating rules) by combining remotely sensed reservoir operating patterns and model‐simulated reservoir inflow with conceptual reservoir operation schemes within a land surface‐hydrologic model. A previously developed reservoir operation scheme is extended with a storage anomaly based calibration approach to accommodate the relatively short time series and large time intervals of remotely sensed data. By setting up controlled experiments in the Yalong River Basin in China, we show that remote sensing can improve the parameter estimation and simulations of ungauged reservoirs for all selected reservoir operation schemes, thereby improving the downstream flood and streamflow simulations. However, most of these schemes show degraded accuracies of reservoir operation simulations under a changing inflow regime, which could lead to unreliable assessments of future water resources and hydropower production. In comparison, our newly extended reservoir operation scheme can be more adaptable to flow regime variations. Our study provides a practical framework for reservoir impact assessments and predictions with the ongoing satellite altimetry projects such as Surface Water and Ocean Topography.
Structural insights into substrate recognition and translocation of human peroxisomal ABC transporter ALDP
Authors: Xiong Chao , Jia Li-Na , Xiong Wei-Xi , Wu Xin-Tong , Xiong Liu-Lin , Wang Ting-Hua , Zhou Dong , Hong Zhen , Liu Zheng , Tang Lin
Published: February 2023

Dysfunctions of ATP-binding cassette, subfamily D, member 1 (ABCD1) cause X-linked adrenoleukodystrophy, a rare neurodegenerative disease that affects all human tissues. Residing in the peroxisome membrane, ABCD1 plays a role in the translocation of very long-chain fatty acids for their β-oxidation. Here, the six cryo-electron microscopy structures of ABCD1 in four distinct conformational states were presented. In the transporter dimer, two transmembrane domains form the substrate translocation pathway, and two nucleotide-binding domains form the ATP-binding site that binds and hydrolyzes ATP. The ABCD1 structures provide a starting point for elucidating the substrate recognition and translocation mechanism of ABCD1. Each of the four inward-facing structures of ABCD1 has a vestibule that opens to the cytosol with variable sizes. Hexacosanoic acid (C26:0)-CoA substrate binds to the transmembrane domains (TMDs) and stimulates the ATPase activity of the nucleotide-binding domains (NBDs). W339 from the transmembrane helix 5 (TM5) is essential for binding substrate and stimulating ATP hydrolysis by substrate. ABCD1 has a unique C-terminal coiled-coil domain that negatively modulates the ATPase activity of the NBDs. Furthermore, the structure of ABCD1 in the outward-facing state indicates that ATP molecules pull the two NBDs together and open the TMDs to the peroxisomal lumen for substrate release. The five structures provide a view of the substrate transport cycle and mechanistic implication for disease-causing mutations.
miR579-3p is an inhibitory modulator of neointimal hyperplasia and transcription factors c-MYB and KLF4
Authors: Xie Xiujie , Shirasu Takuro , Li Jing , Guo Lian-Wang , Kent K. Craig
Published: February 2023

Neointimal hyperplasia (IH) is a common vascular pathology that typically manifests in in-stent restenosis and bypass vein graft failure. Smooth muscle cell (SMC) phenotypic switching is central to IH, both regulated by some microRNAs, yet the role of miR579-3p, a scarcely studied microRNA, is not known. Unbiased bioinformatic analysis suggested that miR579-3p was repressed in human primary SMCs treated with different pro-IH cytokines. Moreover, miR579-3p was software-predicted to target both c-MYB and KLF4 − two master transcription factors known to promote SMC phenotypic switching. Interestingly, treating injured rat carotid arteries via local infusion of miR579-3p-expressing lentivirus reduced IH 14 days after injury. In cultured human SMCs, transfection with miR579-3p inhibited SMC phenotypic switching, as indicated by decreased proliferation/migration and increased SMC contractile proteins. miR579-3p transfection downregulated c-MYB and KLF4, and luciferase assays indicated miR579-3p’s targeting of the 3′UTRs of the c-MYB and KLF4 mRNAs. In vivo, immunohistochemistry showed that treatment of injured rat arteries with the miR579-3p lentivirus reduced c-MYB and KLF4 and increased SMC contractile proteins. Thus, this study identifies miR579-3p as a previously unrecognized small-RNA inhibitor of IH and SMC phenotypic switch involving its targeting of c-MYB and KLF4. Further studies on miR579-3p may provide an opportunity for translation to develop IH-mitigating new therapeutics.
A rapid and effective method for alloy materials design via sample data transfer machine learning
Authors: Jiang Lei , Zhang Zhihao , Hu Hao , He Xingqun , Fu Huadong , Xie Jianxin
Published: February 2023

One of the challenges in material design is to rapidly develop new materials or improve the performance of materials by utilizing the data and knowledge of existing materials. Here, a rapid and effective method of alloy material design via data transfer learning is proposed to efficiently design new alloys using existing data. A new type of aluminum alloy (E2 alloy) with ultra strength and high toughness previously developed by the authors is used as an example. An optimal three-stage solution-aging treatment process (T66R) was efficiently designed transferring 1053 pieces of process-property relationship data of existing AA7xxx commercial aluminum alloys. It realizes the substantial improvement of strength and plasticity of E2 alloy simultaneously, which is of great significance for lightweight of high-end equipment. Meanwhile, the microstructure analysis clarifies the mechanism of alloy performance improvement. This study shows that transferring the existing alloy data is an effective method to design new alloys.
De novo design of luciferases using deep learning
Authors: Yeh Andy Hsien-Wei , Norn Christoffer , Kipnis Yakov , Tischer Doug , Pellock Samuel J. , Evans Declan , Ma Pengchen , Lee Gyu Rie , Zhang Jason Z. , Anishchenko Ivan , Coventry Brian , Cao Longxing , Dauparas Justas , Halabiya Samer , DeWitt Michelle , Carter Lauren , Houk K. N. , Baker David
Published: February 2023

De novo enzyme design has sought to introduce active sites and substrate-binding pockets that are predicted to catalyse a reaction of interest into geometrically compatible native scaffolds1,2, but has been limited by a lack of suitable protein structures and the complexity of native protein sequence–structure relationships. Here we describe a deep-learning-based ‘family-wide hallucination’ approach that generates large numbers of idealized protein structures containing diverse pocket shapes and designed sequences that encode them. We use these scaffolds to design artificial luciferases that selectively catalyse the oxidative chemiluminescence of the synthetic luciferin substrates diphenylterazine3 and 2-deoxycoelenterazine. The designed active sites position an arginine guanidinium group adjacent to an anion that develops during the reaction in a binding pocket with high shape complementarity. For both luciferin substrates, we obtain designed luciferases with high selectivity; the most active of these is a small (13.9 kDa) and thermostable (with a melting temperature higher than 95 °C) enzyme that has a catalytic efficiency on diphenylterazine (kcat/Km = 106 M−1 s−1) comparable to that of native luciferases, but a much higher substrate specificity. The creation of highly active and specific biocatalysts from scratch with broad applications in biomedicine is a key milestone for computational enzyme design, and our approach should enable generation of a wide range of luciferases and other enzymes.
A nomogram predictive model for long-term survival in spontaneous intracerebral hemorrhage patients without cerebral herniation at admission
Authors: Lin Fuxin , He Qiu , Zhuo Lingyun , Zhao Mingpei , Ye Gengzhao , Gao Zhuyu , Huang Wei , Cai Lveming , Wang Fangyu , Shangguan Huangcheng , Fang Wenhua , Lin Yuanxiang , Wang Dengliang , Kang Dezhi
Published: February 2023

Stratification of spontaneous intracerebral hemorrhage (sICH) patients without cerebral herniation at admission, to determine the subgroups may be suffered from poor outcomes or benefit from surgery, is important for following treatment decision. The aim of this study was to establish and verify a de novo nomogram predictive model for long-term survival in sICH patients without cerebral herniation at admission. This study recruited sICH patients from our prospectively maintained ICH patient database (RIS-MIS-ICH, ClinicalTrials.gov Identifier: NCT03862729) between January 2015 and October 2019. All eligible patients were randomly classified into a training cohort and a validation cohort according to the ratio of 7:3. The baseline variables and long-term survival outcomes were collected. And the long-term survival information of all the enrolled sICH patients, including the occurrence of death and overall survival. Follow-up time was defined as the time from the onset to death of the patient or the last clinical visit. The nomogram predictive model was established based on the independent risk factors at admission for long-term survival after hemorrhage. The concordance index (C-index) and ROC curve were used to evaluate the accuracy of the predictive model. Discrimination and calibration were used to validate the nomogram in both the training cohort and the validation cohort. A total of 692 eligible sICH patients were enrolled. During the average follow-up time of 41.77 ± 0.85 months, a total of 178 (25.7%) patients died. The Cox Proportional Hazard Models showed that age (HR 1.055, 95% CI 1.038–1.071, P < 0.001), Glasgow Coma Scale (GCS) at admission (HR 2.496, 95% CI 2.014–3.093, P < 0.001) and hydrocephalus caused by intraventricular hemorrhage (IVH) (HR 1.955, 95% CI 1.362–2.806, P < 0.001) were independent risk factors. The C index of the admission model was 0.76 and 0.78 in the training cohort and validation cohort, respectively. In the ROC analysis, the AUC was 0.80 (95% CI 0.75–0.85) in the training cohort and was 0.80 (95% CI 0.72–0.88) in the validation cohort. SICH patients with admission nomogram scores greater than 87.75 were at high risk of short survival time. For sICH patients without cerebral herniation at admission, our de novo nomogram model based on age, GCS and hydrocephalus on CT may be useful to stratify the long-term survival outcomes and provide suggestions for treatment decision-making.
Anomalous kinetic study of atenolol release from ATN@DNA a core-shell like structure
Authors: Hefny Mohamed Mokhtar , Elmezayyen Ayman S. , Tawfik Ashraf M.
Published: February 2023

The need for more efficient drug delivery strategies with ultraprecision and control over the release of drugs has led to the growth of more sophisticated drug-releasing systems as a promising alternative to conventional clinical therapies. This new seed of strategies has explored an encouraging property to overcome the inherent problems of traditional therapies. One of the major challenges for any drug delivery system is the introduction of a complete view of the delivery system. In this article, we intend to elucidate the theoretical proof of concept of the electrosynthesis ATN@DNA core-shell like structure as a model system. Therefore, we present a fractal kinetic model (non-exponential model) taking into consideration the concept of time-dependent diffusion coefficient, which was developed using a numerical method with the help of COMSOL Multiphysics. In addition to that, we present here a general fractional kinetic model in sense of the tempered fractional operator, which leads to better characterized memory properties of the release process. Also, the fractional model is compared with the fractal kinetic model and both offer a good description of drug release processes that present anomalous kinetics. The solutions of the fractal and fractional kinetic models are also fitted successfully with our real-release results.
Acquired radioresistance in EMT6 mouse mammary carcinoma cell line is mediated by CTLA-4 and PD-1 through JAK/STAT/PI3K pathway
Authors: Sham Nur Fatihah Ronny , Hasani Narimah Abdul Hamid , Hasan Nurhaslina , Karim Muhammad Khalis Abdul , Fuad Syed Baharom Syed Ahmad , Hasbullah Harissa Husainy , Ibahim Mohammad Johari
Published: February 2023

Cancer recurrence is often associated with the acquisition of radioresistance by cancer tissues due to failure in radiotherapy. The underlying mechanism leading to the development of acquired radioresistance in the EMT6 mouse mammary carcinoma cell line and the potential pathway involved was investigated by comparing differential gene expressions between parental and acquired radioresistance cells. EMT6 cell line was exposed to 2 Gy/per cycle of gamma-ray and the survival fraction between EMT6-treated and parental cells was compared. EMT6RR_MJI (acquired radioresistance) cells was developed after 8 cycles of fractionated irradiation. The development of EMT6RR_MJI cells was confirmed with further irradiation at different doses of gamma-ray, and both the survival fraction and migration rates were measured. Higher survival fraction and migration rates were obtained in EMT6RR_MJI cells after exposure to 4 Gy and 8 Gy gamma-ray irradiations compared to their parental cells. Gene expression between EMT6RR_MJI and parental cells was compared, and 16 genes identified to possess more than tenfold changes were selected and validated using RT-PCR. Out of these genes, 5 were significantly up-regulated i.e., IL-6, PDL-1, AXL, GAS6 and APCDD1. Based on pathway analysis software, the development of acquired radioresistance in EMT6RR_MJI was hypothesized through JAK/STAT/PI3K pathway. Presently, CTLA-4 and PD-1 were determined to be associated with JAK/STAT/PI3K pathway, where both their expressions were significantly increased in EMT6RR_MJI compared to parental cells in the 1st, 4th and 8th cycle of radiation. As a conclusion, the current findings provided a mechanistic platform for the development of acquired radioresistance in EMT6RR_MJI through overexpression of CTLA-4 and PD-1, and novel knowledge on therapeutic targets for recurrent radioresistant cancers.
A microfluidic device inspired by leaky tumor vessels for hematogenous metastasis mechanism research
Authors: Yin Shuqing , Lu Ruoyu , Li Yang , Sun Dexian , Liu Chong , Liu Bo , Li Jingmin
Published: February 2023

Exogenous chemotaxis under the concentration gradient of growth factors (CGGF) is demonstrated as a mechanism of hematogenous metastasis. A bionic microfluidic device inspired by the leaky tumor vessels is proposed to study the mechanism.
A multiple-step screening protocol to identify norepinephrine and dopamine reuptake inhibitors for depression
Authors: Wang Panpan , Yan Fengmei , Dong Jianghong , Wang Shengqiang , Shi Yu , Zhu Mengdan , Zuo Yuting , Ma Hui , Xue Ruirui , Zhai Dingjie , Song Xiaoyu
Published: February 2023

A comprehensive strategy was used that identified six novel NDRIs from compound libraries that were selective against hNET and hDAT. Five compounds showed high activities, and four of them performed balancing activities acting on hNET and hDAT.
GreenMedChem: the challenge in the next decade toward eco-friendly compounds and processes in drug design
Authors: Castiello Carola , Junghanns Pierre , Mergel Annika , Jacob Claus , Ducho Christian , Valente Sergio , Rotili Dante , Fioravanti Rossella , Zwergel Clemens , Mai Antonello
Published: February 2023

Green chemistry has become a hot topic and the focus of not only many companies but also researchers.
High rate-performance supercapacitors based on nitrogen-doped graphitized carbon nanotube networks in situ grown on 316L stainless steel as binder-free electrodes
Authors: Lei Rui , Hu Xuetao , Li Xingxing , Lu Renzhe , Liu Zhengyu , Wei Xianyao , Shi Shengjiang , Lv Yaozha , Zhang Hua , Zhang Yu , Yang Honghong
Published: February 2023

Heteroatom-doped carbon nanotubes are considered as promising materials for supercapacitors because of their prominent contributions in terms of faradaic capacitance and electron donor capability.
Trinuclear dioxidomolybdenum(vi) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity
Authors: Maurya Mannar R. , Singh Devesh , Avecilla Fernando , Sharma Akhilesh , Gupta Puneet
Published: February 2023

C3symmetric trinuclearcis-[MoO2] complexes have been isolated successfully and explored as catalysts for the synthesis of 2-methyl-1,4-naphthoquinone (vitamin K3, Menadione), olefin epoxide and brominated phenol derivatives.
Arylseleninic acid derivative decomposition towards Se(ii)-based electrophiles: an elegant approach to construct 3-selanyl-imidazopyridines
Authors: Anghinoni João M. , Ferreira Sabrina S. , Schumacher Ricardo F. , Iglesias Bernardo A. , Perin Gelson , Penteado Filipe , Lenardão Eder J.
Published: February 2023

A total of thirty-four 3-selanylimidazopyridines were easily prepared in 50–94% yields using bench stable arylseleninic acids as a selenium source.
Understanding the role of Ce sites for boosting PEC-NIRR without externally applied potentials
Authors: Liu Lijing , Bai Yajie , Huang Zhenzhen , Wang Guanhua , Cui Jianguo , Bai Hongye , Fan Weiqiang
Published: February 2023

Ce–BiVO4was successfully designed for realizing efficient PEC-NIRR without externally applied potentials (0 Vvs.RHE).
CZTSSe solar cells: insights into interface engineering
Authors: Li Yimeng , Wei Hao , Cui Changcheng , Wang Xiao , Shao Zhipeng , Pang Shuping , Cui Guanglei
Published: February 2023

Cu2ZnSn(S,Se)4 (CZTSSe) photovoltaic (PV) technology has attracted much attention due to its cost efficiency, non-toxic nature, and use of earth-abundant elements.
Ultra-superior high-temperature energy storage properties in polymer nanocomposites via rational design of core–shell structured inorganic antiferroelectric fillers
Authors: Fan Zhenhao , Gao Shuaibing , Chang Yunfei , Wang Dawei , Zhang Xin , Huang Haitao , He Yunbin , Zhang Qingfeng
Published: February 2023

Polyetherimide nanocomposites with core–shell structured (Pb, La)(Zr, Sn, Ti)O3@Al2O3 antiferroelectric nanoparticle fillers deliver an ultra-high discharged energy density of 10.2 J cm−3 and a large efficiency of 83.5% at 150 °C.
Key components and design strategy of the membrane electrode assembly for alkaline water electrolysis
Authors: Wan Lei , Xu Ziang , Xu Qin , Pang Maobing , Lin Dongcheng , Liu Jing , Wang Baoguo
Published: February 2023

This review presents the state-of-the-art MEAs, including key components and the preparation technologies. Especially, the overall design strategies of MEAs are discussed to promote high-performance alkaline water electrolysis.
Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species
Authors: Zhang Zhicheng , Wen Linzi , Xu Shihai , Tang Yu , Cao Xiaohui , Feng Pengju
Published: February 2023

Regioselective C–H phenoxylation and azolation of phenol derivativesviaconsecutively O-radical participating pathway and subsequent electro-induced nucleophilic substitution (SNAr) between azoles and phenol derivatives was disclosed.
High-accuracy measurement of the heat of detonation with good robustness by laser-induced breakdown spectroscopy of energetic materials
Authors: Li An , Zhang Xinyu , Yin Yunsong , Wang Xianshuang , He Yage , Shan Yuheng , Zhang Ying , Liu Xiaodong , Zhong Lixiang , Liu Ruibin
Published: February 2023

Determination of the HOD of EMs based on LIBS with a relative prediction error of less than 5%. The relevant emission lines of elements C, H, O, and N are dominant in the model rather than the spectral features of some impurity elements.
Catalytic activation of peroxymonosulfate by Mn/N co-doped porous carbon for effective phenol degradation: crucial role of non-radical pathways
Authors: Guo Qi , Xu Jihong , Tang Rui , Min Yulin , Hu Zhenhu , Shi Penghui
Published: February 2023

A manganese–nitrogen co-doped porous carbon with high nitrogen content was prepared to improve the contribution rate of non-radical pathways to the degradation process of organic pollutants.
Solar-blind UV Schottky barrier photodetectors formed by Au/Ni on β-(AlxGa1−x)2O3/AlGaN heterostructures
Authors: Chi Ping-Feng , Chang Wei-Che , Lee Ming-Lun , Sheu Jinn-Kong
Published: February 2023

Typical spectral responses of solar-blind photodetectors made of n-GaN/Al0.27Ga0.73N/(AlxGa1−x)2O3 heterostructures with Ni/Au Schottky contact.
Correction: Recent advances in materials for and applications of triplet–triplet annihilation-based upconversion
Authors: Seo Sung Eun , Choe Hyun-Seok , Cho Haein , Kim Hyoung-il , Kim Jae-Hyuk , Kwon Oh Seok
Published: February 2023

Correction for ‘Recent advances in materials for and applications of triplet–triplet annihilation-based upconversion’ by Sung Eun Seo et al., J. Mater. Chem. C, 2022, 10, 4483–4496, https://doi.org/10.1039/D1TC03551G.
Whistler waves generated inside magnetic dips in the young solar wind: Observations of the search-coil magnetometer on board Parker Solar Probe
Authors: Froment C. , Agapitov O. V. , Krasnoselskikh V. , Karbashewski S. , Dudok de Wit T. , Larosa A. , Colomban L. , Malaspina D. , Kretzschmar M. , Jagarlamudi V. K. , Bale S. D. , Bonnell J. W. , Mozer F. S. , Pulupa M.
Published: February 2023

Context.Whistler waves are electromagnetic waves produced by electron-driven instabilities, which in turn can reshape the electron distributions via wave–particle interactions. In the solar wind they are one of the main candidates for explaining the scattering of the strahl electron population into the halo at increasing radial distances from the Sun and for subsequently regulating the solar wind heat flux. However, it is unclear what type of instability dominates to drive whistler waves in the solar wind.

Aims.Our goal is to study whistler wave parameters in the young solar wind sampled by Parker Solar Probe (PSP). The wave normal angle (WNA) in particular is a key parameter to discriminate between the generation mechanisms of these waves.

Methods.We analyzed the cross-spectral matrices of magnetic field fluctuations measured by the search-coil magnetometer (SCM) and processed by the Digital Fields Board (DFB) from the FIELDS suite during PSP’s first perihelion.

Results.Among the 2701 wave packets detected in the cross-spectra, namely individual bins in time and frequency, most were quasi-parallel to the background magnetic field; however, a significant part (3%) of the observed waves had oblique (> 45°) WNA. The validation analysis conducted with the time series waveforms reveal that this percentage is a lower limit. Moreover, we find that about 64% of the whistler waves detected in the spectra are associated with at least one magnetic dip.

Conclusions.We conclude that magnetic dips provide favorable conditions for the generation of whistler waves. We hypothesize that the whistlers detected in magnetic dips are locally generated by the thermal anisotropy as quasi-parallel and can gain obliqueness during their propagation. We finally discuss the implications of our results for the scattering of the strahl in the solar wind.
Apprendre en inter-professionnalité à partir de l’expérience de patients-mentors
Authors: Gross Olivia , Azogui-Levy Sylvie , Bourdon Olivier , Foucaut Aude-Marie , Margat Aurore , Lartigue Corinne , Lassale Saadia , Ruelle Yannick , Wagner Agathe , Gagnayre Rémi
Published: February 2023

Contexte : Les curriculums informels et cachés ainsi que le paradigme positiviste expliquent en partie la baisse de l’empathie observée auprès des étudiants en santé. Ils génèrent aussi des injustices épistémiques qui s’exercent sur les patients mais aussi entre professionnels de santé. Un programme interprofessionnel mobilisant des patients-mentors a été mis en place dans le cadre de la formation initiale d’étudiants en santé pour améliorer cet état de fait. Objectif : Il s’agissait d’évaluer s’il permettait d’atteindre cet objectif et d’en caractériser les mécanismes explicatifs afin de repérer les ingrédients actifs du programme. Méthodes : Quarante-cinq étudiants en santé issus de six filières de formation différentes ont été réunis en petits groupes à quatre reprises avec un patient-mentor. L’étude qualitative a mêlé entretiens individuels et collectifs et réponses écrites à un questionnaire. Résultats et discussion : Ces rencontres ont opéré comme l’élément déclencheur à la base d’apprentissages transformationnels. Les étudiants ont pris conscience de certains de leurs préjugés et de leurs limites, ce qui devrait favoriser des relations plus horizontales avec les patients et avec les autres professionnels de santé. L’autogestion des groupes, le fait que le nombre de participants à ces groupes soit relativement réduit, les rencontres multiples avec un patient en dehors des soins, les thèmes de discussion suggérés, ont permis l’actualisation des mécanismes d’apprentissages. Ces derniers renvoient à la décentration, à l’humilité, au non-jugement et à la proximité qui se sont actualisés dans ces groupes. Le développement de pensées autonomes et la prise en compte de leurs propres ressentis peuvent être vus comme des effets intermédiaires. Les effets finaux portent sur l’élaboration de savoirs incarnés au niveau de l’approche centrée sur le patient et sur un sens de responsabilité accru. Ces deux dimensions se manifestent par de nouvelles résolutions et de nouvelles pratiques professionnelles. Conclusion : L’étude permet d’expliquer les processus d’apprentissages des étudiants dans le cadre des programmes de cet ordre. Mais aussi, elle témoigne du fait que des apprentissages transformationnels sont encore possibles à ce stade de leurs études.
Création d’un groupe de patients simulés bénévoles : un atout pour la formation et l’évaluation à l’heure de la réforme du deuxième cycle des études médicales en France
Authors: Bellot Anne , Albert Christine , Ristovski Maud , Dolley Patricia , Guillois Bernard
Published: February 2023

Contexte : La simulation s’impose aujourd’hui comme l’un des outils pédagogiques essentiels dans les études de santé. La simulation avec patient simulé (PS) permet d’aborder des compétences différentes de la simulation procédurale ou de haute technicité, aussi bien en formation qu’en évaluation. Objectif : Présenter les modalités ayant conduit à la création d’un groupe de patients simulés bénévoles. Méthodes : Le recrutement des candidats est fait par des voies diverses. Une étape de sélection est réalisée pour tous les candidats par un binôme médecin-psychologue. La formation des futurs PS dure une journée et comprend une information sur les principes de la simulation, les mécanismes de défenses psychologiques et une formation aux jeux des émotions et de la douleur. Résultats : Cent-treize personnes ont répondu aux annonces de recrutement, 104 ont été retenues après sélection, 99 ont eu la formation de PS et, finalement, 87 ont participé aux sessions de formation ou d’évaluation des apprenants, dont 67 étudiants en médecine et neuf retraités. Conclusion : Pour le centre de simulation, le recrutement de PS bénévoles permet d’envisager le développement d’un nouveau champ d’activités de formation et d’évaluation. Pour les étudiants en médecine, la participation à ces activités constitue une initiation à la relation médecin-patient et une forme de préparation aux modalités des examens cliniques objectifs et structurés (ECOS).
Assessment of NLRP3 Gene Polymorphisms with Periodontitis as Compared with Healthy Periodontium in Iraqi Arabs Patients
Authors: Mahmood Athraa A. , Abbas Raghad Fadhil
Published: February 2023

Objectives The nod-like receptor pyrin domain-containing protein 3 (NLRP3) inflammasome regulates the maturation and release of the cytokines as well as the activation of caspase in response to danger signals derived from pathogenic infection, tissue damage, andmetabolic changes that have a role in the pathogenesis of different diseases as periodontitis. Yet, the susceptibility to this illness could be determined by population-based genetic differences. The aim of this study was to determine whether periodontitis in Arab populations from Iraq is correlated with NLRP3 gene polymorphisms and measure clinical periodontal parameters and investigate their association with genetic polymorphisms of the NLRP3.

Materials and Methods The study sample consisted of 94 participants ranging from 30 to 55 years old, both males and females who fulfilled the study's criteria. The selected participants were divided into two groups: the periodontitis group (62 subjects) and the healthy control group (32 subjects). The examination of clinical periodontal parameters of all participants was carried out, followed by a collection of venous blood for NLRP3 genetic analysis using the polymerase chain reaction–sequencing technique.

Results The genetic analysis of NLRP3 genotypes at four single nucleotide polymorphisms (SNPs) (rs10925024, rs4612666, rs34777555, and rs10754557), by Hardy–Weinberg equilibrium, identified nonsignificant differences in studied groups. The C-T genotype among periodontitis was significantly different from controls, while the C-C genotype among control was significantly different from periodontitis at NLRP3 rs10925024. Overall, there were 35 SNPs in the periodontitis group and 10 SNPs in the control group for rs10925024 with significant differences versus nonsignificant differences of the other SNPs between the studied groups. Clinical attachment loss and NLRP3 rs10925024 additionally demonstrated a significant positive correlation in the periodontitis subjects.

Conclusion The findings suggested that polymorphisms of the NLRP3 gene may have a role and increasing the genetic susceptibility to periodontal disease in Arabs Iraqi patients.
Management of Surgically Accessible Lymph Nodes Beyond Normal Resection Planes
Authors: deLahunta Daniel , Nalamati Surya
Published: February 2023

This article discusses the management of isolated metastatic lymph nodes for colon and rectal cancer. There are traditionally significant differences in how certain regions of lymph nodes for colon and rectal cancer are managed in the East and West. This has led to the development of the lateral lymph node dissection for rectal cancer and extended lymphadenectomy techniques for colon cancer. This article will evaluate the literature on these techniques and what the surgical and oncological outcomes are at this time. In addition, colon and rectal cancers can occasionally have isolated distant lymph node metastases. These would traditionally be treated as systemic disease with chemotherapy. There is consideration though that these could be treated as similar to isolated liver or lung metastases which have been shown to be able to be treated surgically with good oncological results. The literature for these isolated distant lymph node metastases will be reviewed and treatment options available will be discussed.
Bioengineering an Osteoinductive Treatment for Bone Healing Disorders: A Small Animal Case Series
Authors: Marshall William G. , Gonzalez-Garcia Cristina , Trujillo Sara , Alba-Perez Andres , Childs Peter , Shields David W. , Tomlinson Andrew , Pettitt Rob , Filliquist Barbro , Chou Po-Yen , Dalby Matthew J. , Corr Sandra A. , Salmeron-Sanchez Manuel
Published: February 2023

The aim of this article was to study clinical and radiographic outcomes following treatment of bone healing disorders with a novel osteoinductive system that utilizes poly (ethyl acrylate), fibronectin and an ultra-low concentration of recombinant human bone morphogenetic protein-2. A case series of nine dogs and two cats were treated, and clinical records and radiographs were reviewed. Radiographs were scored by two blinded observers using the modified Radiographic Union Score for Tibial Fractures. Long-term follow-up was obtained using the Canine Orthopaedic Index and Feline Musculoskeletal Pain Index. Follow-up data were available for 11 treatments (10 cases). Complications: three minor, three major, one catastrophic (non-union requiring amputation). Lameness median 320 (range: 42–1,082) days postoperatively: ‘sound’ (three cases), ‘subtle’ (two), ‘mild’ (three), ‘moderate’ (one), and ‘non-weightbearing’ (one). The attending clinician judged 9 of 11 treatments achieved radiographic union; modified Radiographic Union Score for Tibial Fractures observers 1 and 2 agreed with the clinician in 8/9 and 5/9 treatments respectively. Long-term Canine Orthopaedic Index scores for five dogs median 650 (range: 544–1,724) days postoperatively: 15/64 (median) for four dogs with acceptable outcomes, 30/64 in one dog with a poor outcome. Feline Musculoskeletal Pain Index scores for two cats 433 and 751 days postoperatively: 48/60 and 60/60. Eight of 10 cases were sound or showed subtle or mild lameness in the short- or long-term, and radiographic union occurred in the majority of treatments.
The evolutionary mechanism of haze collaborative governance: novel evidence from a tripartite evolutionary game model and a case study in China
Authors: Zhang Zhenhua , Zhang Guoxing , Hu Yi , Jiang Yating , Zhou Cheng , Ma Jiahui
Published: February 2023

The topic of haze collaborative governance has become a hot policy issue attracting worldwide attention. However, existing studies do not pay enough attention to haze collaborative governance in the process of central environmental protection inspection (CEPI). This paper employs a tripartite evolutionary game model to explore the evolutionary mechanism of haze collaborative governance among China’s central and local governments and verifies its findings further through a case study of CEPI for air pollution in Beijing-Tianjin-Hebei and surrounding regions. The results show that haze collaborative governance is mainly affected by the performance evaluation system, policy implementation cost, clean government construction, industrial transfer trend, fiscal subsidy, environmental inspection cost, environmental accountability, and public participation. The implementation of CEPI is conducive to haze collaborative governance among central government and local governments. To promote the full implementation of air pollution control policies, the local governments need to optimize the performance evaluation system by considering economic development and environmental protection, reduce policy implementation costs by cost-sharing, and strengthen clean government construction by preventing rent-seeking corruption. In addition, the local governments need to strengthen the coordination of cross-regional industrial development and optimize fiscal subsidies to promote ecological compensation and transfer payments. For supervising the policy implementation of local governments thoroughly, the central government needs to reduce the environmental inspection cost using the evaluation framework of cost-benefit analysis, strengthen the haze governance accountability through normalizing supervision, and broaden the public’s external supervision channels. It is vital to take effective measures to carry out haze collaborative governance, providing a useful experience for developing countries.
Mechanistic elucidation of shock response of bis(1,2,4-oxadiazole)bis(methylene) dinitrate (BOM): A ReaxFF molecular dynamics investigation
Authors: Pritom Rafiuzzaman , Nahian Md Shahriar , Jayan Rahul , Islam Md Mahbubul
Published: February 2023

The use of trinitrotoluene (TNT) in industrial processes or military operations presents a significant threat to both the environment and human health due to its toxicity. Recently, it has been discovered that bis(1,2,4-oxadiazole)bis(methylene) dinitrate (BOM) can be an appropriate substitute of TNT due to its low sensitivity, high detonation velocity, and nearly insignificant impact on the surrounding environment. In this study, we utilize molecular dynamics (MD) simulations with a ReaxFF force field to investigate the thermomechanical and chemical response of BOM to shock loading. We simulate shocks using the Hugoniostat technique and observe shock-induced, volume-expanding exothermic reactions following a short induction time for strong enough insults. We analyze the shock behavior at various pressures to determine the conditions necessary to initiate detonation and evaluate the consequent events of detonation. A transition between unreacted and reacted materials has been observed and several detonation properties, such as detonation pressure and velocity, have been calculated at the Chapman–Jouguet state. We elucidate the reaction initiation pathways by predicting the intermediates and final products of the exothermic reaction. The quantity of intermediates and products has been studied for different applied shock loadings to understand the effect of loadings on chemical reactions. This study illustrates how reactive MD simulations can be used to characterize the physics and chemistry of high-energy materials subjected to shock loading, and we believe that our research can assist to shed light on numerous features of BOM that may establish it as a viable alternative to TNT.
Overview and first measurements of the MAST Upgrade bolometer diagnostic
Authors: Lovell J. , Reinke M. L. , Field A. R. , Lomanowski B. A. ,   MAST Upgrade Team
Published: February 2023

A suite of multi-channel resistive bolometers has been implemented to measure the total radiation from Mega Amp Spherical Tokamak Upgrade plasmas, with cameras covering the core plasma and lower divertor chamber. Data are digitized and processed using novel field-programmable gate array-based electronics, offering improved compactness and new operational capabilities. A synthetic diagnostic has been developed to explore the quality of 2D reconstructions available from the system and to quantify the uncertainty on quantities such as the total radiated power. Measurements in the first campaign have demonstrated correct functioning of the diagnostic while also highlighting issues with electrical noise and some failure mechanisms of the detectors, as well as significant neutral beam fast-particle losses.
Efficient Langevin and Monte Carlo sampling algorithms: The case of field-theoretic simulations
Authors: Vorselaars Bart
Published: February 2023

We introduce Langevin sampling algorithms to field-theoretic simulations (FTSs) of polymers that, for the same accuracy, are ∼10× more efficient than a previously used Brownian dynamics algorithm that used predictor corrector for such simulations, over 10× more efficient than the smart Monte Carlo (SMC) algorithm, and typically over 1000× more efficient than a simple Monte Carlo (MC) algorithm. These algorithms are known as the Leimkuhler–Matthews (the BAOAB-limited) method and the BAOAB method. Furthermore, the FTS allows for an improved MC algorithm based on the Ornstein–Uhlenbeck process (OU MC), which is 2× more efficient than SMC. The system-size dependence of the efficiency for the sampling algorithms is presented, and it is shown that the aforementioned MC algorithms do not scale well with system sizes. Hence, for larger sizes, the efficiency difference between the Langevin and MC algorithms is even greater, although, for SMC and OU MC, the scaling is less unfavorable than for the simple MC.
Effects of radial electric field on kinetic ballooning mode in toroidal plasma
Authors: Chen Y. C. , Qin Y. Q. , Sun G. Y. , Dong G. , Xiao Y. , Lin Z.
Published: February 2023

Global gyrokinetic particle simulations show that the radial electric field (Er) shear can suppress the kinetic ballooning mode (KBM) in a toroidal plasma. The linear KBM growth rate reaches a maximum when the toroidal rotation induced by the ion diamagnetic shear is canceled by the E × B flow shear. High toroidal-mode-number (high-n) KBMs are more sensitive to the Er shear than low-n KBMs. Nonlinear simulations find that both the Er shear and a self-generated zonal flow can reduce the nonlinear KBM saturation level with smaller particle and ion heat transport. Meanwhile, the zonal flow can weaken the suppressing effects of the Er shear on KBM nonlinear saturation amplitude. The radial correlation length of the turbulence is reduced by the Er shear and the zonal flow.
Allosteric regulation of β-reaction stage I in tryptophan synthase upon the α-ligand binding
Authors: Ito Shingo , Yagi Kiyoshi , Sugita Yuji
Published: February 2023

Tryptophan synthase (TRPS) is a bifunctional enzyme consisting of α- and β-subunits that catalyzes the last two steps of L-tryptophan (L-Trp) biosynthesis. The first stage of the reaction at the β-subunit is called β-reaction stage I, which converts the β-ligand from an internal aldimine [E(Ain)] to an α-aminoacrylate [E(A-A)] intermediate. The activity is known to increase 3–10-fold upon the binding of 3-indole-D-glycerol-3′-phosphate (IGP) at the α-subunit. The effect of α-ligand binding on β-reaction stage I at the distal β-active site is not well understood despite the abundant structural information available for TRPS. Here, we investigate the β-reaction stage I by carrying out minimum-energy pathway searches based on a hybrid quantum mechanics/molecular mechanics (QM/MM) model. The free-energy differences along the pathway are also examined using QM/MM umbrella sampling simulations with QM calculations at the B3LYP-D3/aug-cc-pVDZ level of theory. Our simulations suggest that the sidechain orientation of βD305 near the β-ligand likely plays an essential role in the allosteric regulation: a hydrogen bond is formed between βD305 and the β-ligand in the absence of the α-ligand, prohibiting a smooth rotation of the hydroxyl group in the quinonoid intermediate, whereas the dihedral angle rotates smoothly after the hydrogen bond is switched from βD305-β-ligand to βD305-βR141. This switch could occur upon the IGP-binding at the α-subunit, as evidenced by the existing TRPS crystal structures.
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
Authors: Zimoń Małgorzata J. , Martelli Fausto
Published: February 2023

We report a molecular dynamics study of the heterogeneous crystallization of high-pressure glassy water using (plastic) ice VII as a substrate. We focus on the thermodynamic conditions P ∈ [6–8] GPa and T ∈ [100–500] K, at which (plastic) ice VII and glassy water are supposed to coexist in several (exo)planets and icy moons. We find that (plastic) ice VII undergoes a martensitic phase transition to a (plastic) fcc crystal. Depending on the molecular rotational lifetime τ, we identify three rotational regimes: for τ > 20 ps, crystallization does not occur; for τ ∼ 15 ps, we observe a very sluggish crystallization and the formation of a considerable amount of icosahedral environments trapped in a highly defective crystal or in the residual glassy matrix; and for τ < 10 ps, crystallization takes place smoothly, resulting in an almost defect-free plastic fcc solid. The presence of icosahedral environments at intermediate τ is of particular interest as it shows that such a geometry, otherwise ephemeral at lower pressures, is, indeed, present in water. We justify the presence of icosahedral structures based on geometrical arguments. Our results represent the first study of heterogeneous crystallization occurring at thermodynamic conditions of relevance for planetary science and unveil the role of molecular rotations in achieving it. Our findings (i) show that the stability of plastic ice VII, widely reported in the literature, should be reconsidered in favor of plastic fcc, (ii) provide a rationale for the role of molecular rotations in achieving heterogeneous crystallization, and (iii) represent the first evidence of long-living icosahedral structures in water. Therefore, our work pushes forward our understanding of the properties of water.