bluuebunny/crossref_metadata_2025 huggingface dataset:
The interplay between bicarbonate kinetics and gastrointestinal upset on ergogenic potential after sodium bicarbonate intake: a randomized double-blind placebo-controlled trial
Authors: Durkalec-Michalski Krzysztof , Nowaczyk Paulina M. , Kamińska Joanna , Saunders Bryan , Łoniewski Igor , Czubaszek Dominika , Steffl Michal , Podgórski Tomasz
Published: May 2023

This double-blind placebo-controlled cross-over study utilized comprehensive monitoring of blood bicarbonate (HCO3¯) kinetics and evaluation of gastrointestinal (GI) upset to determine their impact on an ergogenic potential of sodium bicarbonate (SB) co-ingested with carbohydrate (CHO). Nineteen CrossFit athletes performed 6 bouts of 15 s Wingate Anaerobic Test (WAnT) 90 min post-ingestion of 0.4 g·kg−1 body mass (BM) of SB (SB + CHO treatment) or PLA (PLA + CHO treatment) with 15 g CHO. Blood HCO3¯ concentration was evaluated at baseline, 30-, 60-, 75- and 90 min post-ingestion, in between WAnT bouts, and 3 and 45 min post-exercise, while GI upset at 120 min after protocol started. Control (no supplementation; CTRL) procedures were also performed. An effective elevation of extra-cellular buffering capacity was observed 60–90 min post-ingestion of SB + CHO. At mean peak blood HCO3¯, or at start of exercise an increase > 6 mmol·L−1 in HCO3¯ was noted in 84% and 52.6% participants, respectively. SB + CHO did not prevent performance decrements in WAnT bouts. There were no significant relationships between changes in blood HCO3¯ and WAnTs’ performance. Total GI was significantly higher in SB + CHO compared to CTRL, and stomach problems in SB + CHO compared to CTRL and PLA + CHO. There were inverse associations between peak- (p = 0.031; r = − 0.495), average- (p = 0.002; r = − 0.674) and minimum power (p = 0.008; r = − 0.585) and total GI upset, as well as average power and severe GI distress (p = 0.042; r = − 0.471) at SB + CHO. The implemented dose of SB + CHO was effective in improving buffering capacity, but did not prevent decrements in WAnTs’ performance. GI side effects were crucial in affecting the ergogenic potential of SB and thus must be insightfully monitored in future studies.
Silver electrodes provide higher conductance than gold for thiol-terminated oligosilane molecular junctions: the interfacial effect
Authors: Wang Minglang , Chen Xianglin , Lu Wenjun , Tian Xinyue , Zhang Guang-Ping
Published: May 2023

The understanding of the interfacial effect on charge transport is essential in single-molecule electronics.
Polychromatic fluorescent MoS2 quantum dots: fabrication and off–on sensing for fluorine ions in water
Authors: Wu Feng-Yi , Yang Ji-Liang , Ye You-Sheng , Kong Ya-Qiong , Wu Rong , Wang Hai-Yan , Wang Xin
Published: May 2023

Tunable photoluminescence I-MoS2 QDs were successfully synthesized using an in situ iodine doping method. The I-MoS2 QDs combined with Fe3+ were used to develop a fluorescence sensor for the determination of F− ions in water in “turn-off–on” mode.
CaFeFeNbO6 – an iron-based double double perovskite
Authors: Ji K. , Bedward J. R. , Li Q. , Manuel P. , Ritter C. , Attfield J. Paul
Published: May 2023

CaFeFeNbO6, synthesised at 14 GPa pressure, is the first reported Fe-based double double perovskite. Fe/Nb disorder leads to a spin glass ground state below a freezing transition at 12 K.
Surface termination passivation of imidazole-based diiodide enabling efficient inverted perovskite solar cells
Authors: Wang Yu , Song Jiaxing , Ye Jingchuan , Jin Yingzhi , Yin Xinxing , Su Zhen , Hu Lin , Wu Yan , Qiu Chufeng , Wang Hao , Yan Wensheng , Li Zaifang
Published: May 2023

Efficient and stable Cs/FA-based inverted PSCs were developed by introducing imidazole diiodide (APDI) for surface termination passivation.
Mixed halobenzenes also prefer face⋯face approaches of aromatic rings, revealing a new inversion symthon
Authors: Black Simon N.
Published: May 2023

Most mixed halobenzenes crystallise in ‘π–π’ stacks built from symthon I. However 1,2,3-trihalobenzenes prefer one face⋯face inversion (symthon III), as shown on the left, paired with one ‘halogen edge⋯face’ interaction, shown on the right.
Naphthoquinone–dopamine hybrids disrupt α-synuclein fibrils by their intramolecular synergistic interactions with fibrils and display a better effect on fibril disruption
Authors: Zhou Yun , Yao Yifei , Yang Zhongyuan , Tang Yiming , Wei Guanghong
Published: May 2023

NQDA destabilizes αSyn fibrils through synergistic π–π stacking and cation-π interactions.
The intermolecular polar bond interaction and coupling induced spectral splitting phenomenon for a binary mixture
Authors: Wang Huigang , Wang Zian , Jian Jiwen , Jiang Caiying , Pan Lanying
Published: May 2023

Strategies of matrix-isolation and finding cases with stronger-coupling were adopted to demonstrate the splitting theory.
Bifunctional catalysts for the conversion of CO2 into value-added products – distance as a design parameter for new catalysts
Authors: Rudolph Maik Alexander , Isbrücker Philipp , Schomäcker Reinhard
Published: May 2023

This review discusses the effects and implications of the active-site proximity in different bimetallic catalytic systems, strongly focusing on the reduction of CO2 and its reaction with epoxides and hydrogen to generate value-added products.
Efficient and selective removal of ReO4− from highly acid solutions by SnS nanoflowers: implications for TcO4− sequestration
Authors: Cai Duan-Rui , Yan Heng , Han Jun , Wen Jun , Yang Chu-Ting , Wang Ning
Published: May 2023

The synthesized SSF nanoflowers have high adsorption capacity and excellent selective separation ability for ReO4− in 3 M HCl solution.
Long-term stable and catalytic 2D MXene nanosheets wrapped with dialdehyde xylan for ultrafast gelation
Authors: Li Nan , Shao Lupeng , Xia Qiang , Tan Shujun , Zhao Shuwen , Li XuPeng , Su Zhenhua , Hao Xiang , Peng Feng
Published: May 2023

Aldehyde polysaccharides prolong the lifetime of MXene nanosheets in aqueous solutions and manifest their room-temperature catalytic features for ultrafast gelation.
The radical scavenging activity of 4-mercaptoimidazole: theoretical insights into the mechanism, kinetics and solvent effects
Authors: Vo Quan V. , Hang Do Thi Ngoc , Hoa Nguyen Thi , Nam Pham Cam , Duong Tuan Quang , Mechler Adam
Published: May 2023

A regeneration cycle including the removal of O2˙− and HOO˙ radicals might increase the antioxidant activity of 4-mercaptoimidazole.
Janus polymer-grafted nanoparticles mimicking membrane repair proteins for the prevention of lipid membrane rupture
Authors: Li Bin , Gao Huimin , Lu Zhong-Yuan
Published: May 2023

Using dissipative particle dynamics simulations, the role of Janus polymer-grafted nanoparticles (PGNPs) as an alternative to membrane repair protein is verified by tracking the dynamic adsorption and detachment of PGNPs on a damaged lipid membrane.
Effective modulation of the exotic properties of two-dimensional multifunctional TM2@g-C4N3 monolayers via transition metal permutation and biaxial strain
Authors: Long De-Bing , Feng Yulin , Gao Guoying , Yang Li-Ming
Published: May 2023

A practical route to achieve the flexible and effective regulation of magnetic, electronic, and optical properties of 2D multifunctional TM2@g-C4N3 monolayers is established based on the transition metal permutation and strain engineering strategy.
A practical synthesis of 3,4-diamino-6-azido-1H-pyrazolo[4,3-c]pyridin-5-ium energetic ionic compounds
Authors: Cui Wen-Hao , Zhou Wen-Biao , Ye Zhiwen , He Ying
Published: May 2023

We report herein a practical synthesis of 3,4-diamino-6-azido-1H-pyrazolo[4,3-c]pyridin-5-ium energetic ionic compounds which show good detonation performances and low sensitivities.
One-step synthesis of cyanated pyrazolo[1,5-a]pyridines utilizing N-aminopyridines as a 1,3-dipole and a nitrogen source
Authors: Shi Xiaotian , Lin Yu , Wei Jiaohang , Zhao Limin , Guo Pengfeng , Cao Hua , Liu Xiang
Published: May 2023

By utilizing the dual reactivity function of N-aminopyridinium ylides, we developed a direct [3 + 2]-cycloaddition of N-aminopyridinium ylides and ynals to build the pyrazolo[1,5-a]pyridine core while introducing a cyano group.
Defect engineering of solution-processed ZnO:Li window layers towards high-efficiency and low-cost kesterite photovoltaics
Authors: Xiao Qian , Kou Dongxing , Zhou Wenhui , Zhou Zhengji , Yuan Shengjie , Qi Yafang , Meng Yuena , Han Litao , Zheng Zhi , Wu Sixin
Published: May 2023

A solution-processed ZnO:Li NP window layer is demonstrated to enhance charge collection and minimize interface recombination in kesterite solar cells.
The journey of iron-based electrocatalytic materials for nitrogen reduction reaction: from current status to future prospects
Authors: Wang Yi-Han , Dong Ji-Hong , Tan Zhenquan , Wang Xiao-Feng , Song Xue-Zhi
Published: May 2023

This review summarizes recent advances, presents the structure engineering strategies, and focuses on the mechanism disclosure and structure–property relationship and provides future challenge and prospect of various iron-based materials towards N2-to-NH3electrocatalysis.
A coordinate attention enhanced swin transformer for handwriting recognition of Parkinson's disease
Authors: Wang Nana , Niu Xuesen , Yuan Yiyang , Sun Yunze , Li Ran , You Guoliang , Zhao Aite
Published: May 2023

Diagnosing Parkinson's disease (PD) in its early stages is a significant challenge in medicine. Hand tremors and dysgraphia, which are typical early motor symptoms of PD, can manifest for decades before a formal diagnosis is made. Therefore, handwriting analysis has become an important tool for detecting PD. While many machine learning algorithms have been applied in this area, they struggle to capture the subtle changes in handwriting and must describe features from various perspectives. To address these issues, this paper proposes a Coordinate Attention Enhanced Swin Transformer (CAS Transformer) model for PD handwriting recognition. It establishes the long‐term dependence of features on the joint coordinate attention application, which enables the model to more accurately localize the important features of handwriting data and also extract the fuzzy edge features of handwriting images.These characteristics of the CAS Transformer enable it to outperform current advanced deep learning methods in classification, with an accuracy of 92.68% in experiments conducted on two handwritten datasets.
Fast processing models effects of reflections on binaural unmasking
Authors: Bischof Norbert F. , Aublin Pierre G. , Seeber Bernhard U.
Published: May 2023

Sound reflections and late reverberation alter energetic and binaural cues of a target source, thereby affecting its detection in noise. Two experiments investigated detection of harmonic complex tones, centered around 500 Hz, in noise, in a virtual room with different modifications of simulated room impulse responses (RIRs). Stimuli were auralized using the Simulated Open Field Environment’s (SOFE’s) loudspeakers in anechoic space. The target was presented from the front (0°) or 60° azimuth, while an anechoic noise masker was simultaneously presented at 0°. In the first experiment, early reflections were progressively added to the RIR and detection thresholds of the reverberant target were measured. For a frontal sound source, detection thresholds decreased while adding early reflections within the first 45 ms, whereas for a lateral sound source, thresholds remained constant. In the second experiment, early reflections were removed while late reflections were kept along with the direct sound. Results for a target at 0° show that even reflections as late as 150 ms reduce detection thresholds compared to only the direct sound. A binaural model with a sluggishness component following the computation of binaural unmasking in short windows predicts measured and literature results better than when large windows are used.
Research status and development trend of 3D printing binders
Authors: Song Yuying , Liang Yi , Li Xuelin , Feng Yihua , Wang Li , Shi Yanbin , Yu Shuyuan
Published: May 2023

Three-dimensional 3D printing binders are important in the modern industry. Several types of binders and printing materials are used. Thus, printing binder requirements differ considerably depending on the printing methods utilized. In this study, the characteristics and research status of biomimetic materials and polymer binders used in Selective Laser Sintering-based printing (SLS), Spray molding technology (such as, solid inkjet printing [3DP] and Metal binder jet printing (MBJ), and extruded bio-printing technology (EBP) are reviewed.
A study of AlSi5Cu3Mg alloy produced by laser powder bed fusion: porosity assessment, microstructure, mechanical properties
Authors: Mauduit Arnold , Gransac Hervé , Pillot Sébastien , Auguste Pierre
Published: May 2023

After having determined the LPBF additive manufacturing parameters for the AlSi5Cu3Mg alloy by means of a design of experiment method, three tempers are studied on the manufactured test pieces: as built, direct aging and T6. The study reviews the impact of these three tempers on porosity assessment, microstructure and mechanical properties. It appears that the microstructures in the as built and direct aging tempers are often comparable to those of the AlSi7Mg0.6 and AlSi10Mg alloys which are used as references. However, a significant difference appears with the T6 temper, which does not show any change in porosity for the AlSi5Cu3Mg alloy, unlike the two other alloys. Moreover, due to a high density of type θʺ and/or θ′ fine precipitates, the T6 temper features a high yield strength but also an almost isotropic behaviour with good elongation. The analysis of the mechanical behaviour of the AlSi5Cu3Mg alloy in the three tempers is completed with an analysis of the strain hardening rate which is put into perspective with an EBSD analysis of the dislocation density, thus highlighting a close relationship between the microstructures (especially fine dendritic structures) and a high dislocation density. Lastly, a technical and ergonomic study is presented which compares the AlSi5Cu3Mg and AlSi7Mg0.6 alloys. Finally, we explain the interest of the T6 temper for the AlSi5Cu3Mg alloy after LPBF additive manufacturing.
Factor XIII and Endothelial Dysfunction in Patients with Systemic Sclerosis
Authors: Alesci Sonja , Wahle Matthias , Himsel Andrea , Miesbach Wolfgang
Published: May 2023

Systemic sclerosis (SSc, scleroderma) is a severe autoimmune connective tissue disease which affects the skin and internal organs. There has been evidence that coagulation factor XIII (FXIII) has a positive impact on clinical results in patients with SSc. In a single-center cohort study, we investigated the relationship between coagulation FXIII, endothelial dysfunction, and skin infection in SSc. Fifty-six patients could be included and were divided into two groups (with and without scleroderma). Markers of inflammation, coagulation, and endothelial dysfunction like C-reactive protein, leucocytes, fibrinogen, FVIII, VWF-Ag (von Willebrand factor antigen), D-dimers, and vascular endothelial growth factor were analyzed as well as MRSS (modified Rodnan skin scores) data were evaluated. Reduced daily activities were evaluated by the Scleroderma Health Assessment Questionnaire (SHAQ). There were no significant correlations between FXIII activity, MRSS, and SHAQ score. There were correlations between FXIII activity and Raynaud's phenomenon–related symptoms and a weak but not significant positive correlation with the level of pain. A significant correlation between VWF-Ag and lung-associated complaints (n = 56; p = 0.41, p < 0.0001) was found. Moreover, the study showed a correlation between VWF-Ag and MRSS (r [N = 48] = 0.4, p = 0.01), which means that higher VWF-Ag levels come along with more severe skin involvement. A trend toward a negative correlation between FXIII activity and VWF-Ag as marker of endothelial dysfunction was found (r [N = 56] = − 0.20, p = 0.15). In our cohort, there is no FXIII deficiency in patients with SSc. FXIII might have a role in improving cutaneous manifestations indirectly by means of a moderating influence on endothelial dysfunction. Further clinical evaluation is needed.
188Re-N-DEDC Lipiodol for Treatment of Hepatocellular Carcinoma (HCC)—A Clinical and Prospective Study to Assess In-Vivo Distribution in Patients and Clinical Feasibility of Therapy
Authors: Kumar Naresh , Gupta Priyanka , Shamim Shamim Ahmed , Chirayil Viju , Subramanian Suresh , Mallia Madhava B. , Bal Chandrasekhar
Published: May 2023

Objective The incidence of inoperable hepatocellular carcinoma (HCC) with/without malignant portal vein thrombosis (PVT) is increasing in India for the last decade; thus, Bhabha Atomic Research Centre (BARC), Mumbai, India, developed diethydithiocarbamate (DEDC), a new transarterial radionuclide therapy (TART) agent. 188Re-N-DEDC lipiodol is an emerging radiotherapeutic agent for inoperable HCC treatment due to its simple and onsite labeling procedure, cost-effectiveness, and least radiation-induced side effects. This study aimed to evaluate in-vivo biodistribution and clinical feasibility of 188Re-N-DEDC lipiodol TART in HCC and optimization of labeling procedure to assess post-labeling stability and radiochemical yield of labeled lipiodol with 188Re-N-DEDC complex.

Materials and Methods DEDC kits were obtained as gift from BARC, Mumbai. Therapy was given to 31 HCC patients. Post-therapy planar and single-photon emission computed tomography/computed tomography (SPECT/CT) imaging were performed to see tumor uptake and biodistribution. Clinical feasibility and toxicity were decided by Common Terminology Criteria for Adverse Events version 5.0 (CTCAE v 5.0).

Statistical Analysis Descriptive statistics was done for data using SPSS v22. Values was expressed as mean ± standard deviation or median with range.

Results Post-therapy planar and SPECT/CT imaging showed radiotracer localization in hepatic lesions. Few patients showed lungs uptake due to hepato-pulmonary shunt (lung shunt < 10%). Maximum clearance was observed through urinary tract with very less elimination through hepatobiliary route due to slow rate of leaching of tracer. No patient showed myelosuppression or any other long-term toxicity over median follow-up of 6 months. Mean overall % radiochemical yield of 188Re-N-DEDC lipiodol was 86.04 ± 2.35%. The complex 188Re-N-DEDC was found to be stable at 37°C under sterile condition over a period of 1 hour without any significant change on the % radiochemical purity (90.83 ± 3.24%, 89.78 ± 3.67%, 89.22 ± 3.77% at 0, 0.5, 1 hours, respectively).

Conclusion Human biodistribution showed very high retention of radiotracer in hepatic lesions with no long-term toxicity with this therapy. The kit preparation procedure is ideally suited for a busy hospital radio-pharmacy. By this procedure, 188Re-N-DEDC lipiodol can be prepared in high radiochemical yield within a short time (∼45 minutes). Thus, 188Re-N-DEDC lipiodol can be considered for TART in advanced and/or intermediate HCC.
Expressed Breastfeeding: Knowledge and Attitude of Postnatal Women
Authors: Varghese Mariamol , Sebastian Minnu , Shanid Muhammad , Varghese Taniya , D'Souza Renita Priya
Published: May 2023

Introduction Breastfeeding is the most valuable thing that mother can offer to her child. Breast milk provides all the necessary nutrients that are necessary for the overall growth and development of the infant. Mothers can continue feeding their infants with expressed breast milk even if they have to get separated from the child for any reasons. Expressed breastfeeding is a less used option by mothers due to multiple reasons.

Objective The aim of this study was to assess the knowledge and attitude regarding expressed breastfeeding among postnatal women.

Methodology A descriptive survey design was adopted for the study. The nonprobability convenience sampling technique was adopted to select 80 postnatal women. A self-developed pretested knowledge questionnaire and structured attitude scale was used to collect the data from postnatal women.

Result Majority of postnatal women (73.8%) were in the age group of 21 to 30 years, 36.3% were with gravida and Para 2, 33.8% were having two children and most of them, 81.3%, were homemakers, and 66.3% were not practiced expressed breastfeeding. Satisfactory level of knowledge regarding expressed breastfeeding was found among 41.3%, while 40% had average knowledge. The mean knowledge score was 7.7 ± 4.20 with a maximum score of 15. Attitude toward expressed breastfeeding was unfavorable among 55 (68.75%) of the postnatal women, while 25 (31.25%) women had the favorable attitude. The mean attitude score was 46.96 ± 6.11 with a maximum possible score of 70. There was significant correlation between knowledge and attitude score with p-value is 0.03. The chi-squared computed between knowledge score and demographic variables revealed that there is significant association between knowledge score and age of postnatal women.

Conclusion The knowledge level was satisfactory among one-third of participants, but it was not adequate among the majority of participants. Attitude was not very favorable that indicates motivation of postnatal women by health workers is in very much need.
Lateral Mass Intrapedicular Screw Fixation for Subaxial Cervical Spines: A Short- to Medium-Term Retrospective Follow-Up Study of 20 Cases
Authors: Kojima Kota , Asamoto Shunji , Hori Takahiro , Endo Takahiro , Fukui Yasuyuki
Published: May 2023

Background Lateral mass intrapedicular screw(LMIS) fixation was introduced in 2021 as an alternative method for the fixation of subaxial cervical spines for the treatment of various cervical spine disease. The objective of this study is to provide a short- to medium-term result of the 20 patients who underwent cervical spine fixation using LMIS.

Methods Twenty patients with varying cervical spine pathology who underwent cervical spine fixation using LMIS in a 21-month period were included in the study. Postoperative computed tomography (CT) imaging was used to evaluate the screw placement.

Results A total of 105 screws were used. The average screw size used was 3.5 × 14 mm. The average screw angle in the axial plane was 18 degrees. Five screws had breached the inner cortex of the vertebral canal. None of the patients had any postsurgical neurologic deficit. Fifteen screws did not reach the pedicle. Intraoperative fixation was excellent and no screw showed signs of loosening in the subsequent follow-up imaging.

Conclusion LMIS is a good alternative to the commonly used methods for subaxial cervical spine fixation and is worth considering in many patients.
Role of Executive Functions in Lexical Selection
Authors: Shaji Sneha Roslyn , Jacob Hima , Shivaiah Chandana , P. Abhishek B.
Published: May 2023

Objectives This article determines the number of correct responses under confrontation naming, producing category coordinates, superordinates, and features associated with the target.

Materials and Methods Thirty participants in the age range of 18 to 30 years served as participants. The study was carried out in Malayalam, the native language of the participants. A conditioned naming task was administered to the participants.

Statistical Analysis Within-group analysis was carried out using Friedman's test.

Results It was found that the participants erred more in naming category coordinates, derivatives, and superordinates.

Conclusion The amount of cognitive control varied for each of these conditional naming tasks, and with increasing complexity in cognitive control, scores on conditional naming tasks also differed, showing the relationship between these two aspects.
Behavior of soda-lime silicate glass under laser-driven shock compression up to 315 GPa
Authors: Madhavi Meera , Jangid Rahul , Christiansen-Salameh Joyce , Cheng Yu-Hsing , Rao Pooja , Li Jianheng , Teja Botu Surya , Jeppson Spencer , Mehta Jugal , Smith Scott , Isobe Jared T. , Hok Sovanndara , Saha Rahul , Cunningham Eric , Heimann Philip , Khaghani Dimitri , Lee Hae Ja , Spaulding D. K. , Polsin Danae N. , Gleason Arianna E. , Kukreja Roopali
Published: May 2023

Shock experiments give a unique insight into the behavior of matter subjected to extremely high pressures and temperatures. Understanding the behavior of materials under such extreme conditions is key to modeling material failure and deformation dynamics under impact. While studies on pure silica are extensive, the shock behavior of other commercial silicates that contain additional oxides has not been systematically investigated. To better understand the role of composition in the dynamic behavior of silicates, we performed laser-driven dynamic compression experiments on soda-lime glass (SLG) up to 315 GPa. Using the accurate pulse shaping offered by the long pulse laser system at the Matter in Extreme Conditions end-station at the Linac Coherent Light Source, SLG was shock compressed along the Hugoniot to multiple pressure-temperature points. Velocity Interferometer System for Any Reflector was used to measure the velocity and determine the pressure inside the SLG. The Us–up relationship obtained agrees well with the previous parallel plate impact studies. Within the error bars, no transformation to the crystalline phase was observed up to 70 GPa, which is in contrast to the behavior of pure silica under shock compression. Our studies show that the glass composition strongly influences the shock compression behavior of the silicate glasses.
Particle dynamics in a turbulent electric field
Authors: Guillevic A. , Lesur M. , Garbet X. , Diamond P. , Lo-Cascio G. , Kosuga Y. , Gravier E. , Mandal D. , Ghizzo A. , Réveillé T.
Published: May 2023

Charged particle velocity-space diffusion in a prescribed one-dimensional turbulent electric field is investigated through numerical trajectories in phase-space and compared against quasi-linear theory (QL), including resonance broadening (RB). A Gaussian spectrum electric field of variable amplitude E is studied in conjunction with two plasma dispersion relations, namely, the Langmuir and ion-acoustic dispersion. A first parameter scan shows that RB effects become significant for a Kubo number K of a few percent. A Kubo number scan shows that diffusion increases as a power law of D∝K3∝E3/2 for large Kubo numbers. Moreover, at large Kubo numbers, transport processes include significant diffusion measured at velocities much higher than the resonant region, where QL and RB predict negligible diffusion. For times much larger than the trapped particle flight time τb and the autocorrelation time τ0, the velocity distribution departs from a Gaussian. Nevertheless, measurements show that the variance increases linearly in time, with a Hurst parameter of H∼0.5, where the diffusion scales as K5/2∝E5/4 and K3/2∝E3/4 for small and large Kubo number, respectively.
Smoothed particle hydrodynamics method for pinch plasma simulation with non-ideal MHD model
Authors: Park Su-San , Kim Deok-Kyu , Kim Jin-Hyun , Kim Eung Soo
Published: May 2023

When plasma is compressed by magnetic forces, a pinch phenomenon is observed. Pinch plasma has received significant attention as an efficient source of radiation and a way for high-density plasma physics analysis. In this study, a non-ideal magnetohydrodynamics (MHD) model is applied to a smoothed particle hydrodynamics (SPH) framework to analyze pinch plasmas whose local resistivity varies with temperature and pressure. The proposed SPH model incorporates several numerical treatments, such as a correction term to satisfy the ∇·B constraint and some artificial dissipation terms to govern the shock wave. Moreover, it includes the evaluation of a novel SPH discretization for non-ideal MHD terms, including current density calculations. Furthermore, the proposed model is validated with three benchmark cases: (1) Brio and Wu shock tube (ideal MHD), (2) resistive MHD shock simulation, and (3) magnetized Noh Z-pinch problem. The simulation results are compared with the results of some reference Eulerian MHD simulations and analytical solutions. The simulations agree well with the reference data, and the introduced numerical treatments are effective. Finally, X-pinch simulations are performed using the proposed model. The simulations well produce the micro Z-pinch and jet shapes, which are important X-pinch features. Overall, the proposed SPH model has extensive potential for studying the complex pinch plasma phenomena.
Collisional-radiative modeling of the 2p3l(l = p,d) spectra of N II and application to lightning
Authors: An Yingying , Shen Xiaozhi , Yuan Ping , Wu Zhongwen
Published: May 2023

The excitation energies, transition rates, collisional-excitation cross sections, and collisional-excitation rate coefficients of N II ions have been calculated by the relativistic configuration-interaction method with the implementation of the flexible atomic code. The population rate coefficients were subsequently investigated and shown that the net population rate coefficients of the 2p3d configuration are greater than those of the 2p3p configuration at an identical electron temperature. A reasonable collisional-radiative model has been constructed to simulate the 2p3s–2p3p and 2p3p–2p3d spectra, which were in reasonable agreement with the lightning data presently obtained in experimental measurements. A further application was implemented in effectively determining the lightning parameters, with the aid of a certain area surrounded by the intersections of contours of multiple line-intensity ratios on the two-dimensional plane of electron temperature and electron density.
A non-neutral generalized Ohm's law model for magnetohydrodynamics in the two-fluid regime
Authors: Crockatt Michael M. , Shadid John N.
Published: May 2023

A new non-neutral generalized Ohm's law (GOL) model for atomic plasmas is presented. This model differs from previous models of this type in that quasi-neutrality is not assumed at any point. Collisional effects due to ionization, recombination, and elastic scattering are included, and an expression for the associated plasma conductivity is derived. An initial set of numerical simulations are considered that compare the GOL model to a two-fluid model in the ideal (collisionless) case. The results demonstrate that solutions obtained from the two models are essentially indistinguishable in most cases when the ion–electron mass ratio is within the range of physical values for atomic plasmas. Additionally, some limitations of the model are discussed.
Influence of rectangular substrate chamfer on edge bead effect of a spin-coated thin film
Authors: Yan Ying , Liu Qiuyu , Li Jiarun , He Naipeng , Zhang Zhengyu , Zhou Ping
Published: May 2023

Spin coating is a common method for fabricating thin films. The edge bead effect is a major contributor to thin film non-uniformities. This study investigates the influence of chamfer angles and widths of a rectangular substrate on the edge bead formation mechanism in spin-coated films. Through the use of volume-of-fluid simulations and experiments, it was determined that the chamfer angle had a significant impact on the edge bead effect, while the chamfer width was not found to be a major factor. The use of a synchronous chamber in spin coating was found to negatively affect film planarization by restricting solvent evaporation and elevating its concentration, leading to a decreased film thickness. Additionally, the study concluded that the edge effect is not impacted by the Bernoulli effect or liquid accumulation along the edge if the average film thickness is below 1500 nm. The main reason for reducing the height of the edge bead was determined to be liquid fusion at the edge of the substrate, which only occurred when the chamfer width was close to the film thickness.
Cation disorder and the charge ordering transition temperature in La1/3(Sr1-xCax)2/3FeO3−δ investigated by mechanical spectroscopy
Authors: Wei D. , Ying X. N. , Lu X. M.
Published: May 2023

The lattice effect on the charge ordering in La1/3Sr2/3FeO3−δ is addressed by calcium ion substitution. Cation disorder effect due to size differences between A-site La3+, Sr2+, and Ca2+ has been found in La1/3(Sr1-xCax)2/3FeO3−δ perovskites. Below room temperature, a charge ordering transition has been detected by temperature dependent resistivity, differential scanning calorimeter, and mechanical spectroscopy. The charge ordering transition temperature TC shows a clear dependence on the variance of the A-site cation radius distribution. This result shows an important role of local lattice distortions on the charge ordering transition. As a comparison, octahedral titling transitions above room temperature were identified by mechanical spectroscopy, and the tilting transition temperatures are sensitive to the average cation radius. Finally, the implication of the cation disorder effect is discussed by a comparison of the case in manganates.
Ordinal pattern transition networks in eye tracking reading signals
Authors: Iaconis F. R. , Trujillo Jiménez M. A. , Gasaneo G. , Rosso O. A. , Delrieux C. A.
Published: May 2023

Eye tracking is an emerging technology with a wide spectrum of applications, including non-invasive neurocognitive diagnosis. An advantage of the use of eye trackers is in the improved assessment of indirect latent information about several aspects of the subjects’ neurophysiology. The path to uncover and take advantage of the meaning and implications of this information, however, is still in its very early stages. In this work, we apply ordinal patterns transition networks as a means to identify subjects with dyslexia in simple text reading experiments. We registered the tracking signal of the eye movements of several subjects (either normal or with diagnosed dyslexia). The evolution of the left-to-right movement over time was analyzed using ordinal patterns, and the transitions between patterns were analyzed and characterized. The relative frequencies of these transitions were used as feature descriptors, with which a classifier was trained. The classifier is able to distinguish typically developed vs dyslexic subjects with almost 100% accuracy only analyzing the relative frequency of the eye movement transition from one particular permutation pattern (plain left to right) to four other patterns including itself. This characterization helps understand differences in the underlying cognitive behavior of these two groups of subjects and also paves the way to several other potentially fruitful analyses applied to other neurocognitive conditions and tests.
Topologically induced suppression of explosive synchronization
Authors: Miranda Manuel , Frasca Mattia , Estrada Ernesto
Published: May 2023

Nowadays, explosive synchronization is a well-documented phenomenon consisting in a first-order transition that may coexist with classical synchronization. Typically, explosive synchronization occurs when the network structure is represented by the classical graph Laplacian, and the node frequency and its degree are correlated. Here, we answer the question on whether this phenomenon can be observed in networks when the oscillators are coupled via degree-biased Laplacian operators. We not only observe that this is the case but also that this new representation naturally controls the transition from explosive to standard synchronization in a network. We prove analytically that explosive synchronization emerges when using this theoretical setting in star-like networks. As soon as this star-like network is topologically converted into a network containing cycles, the explosive synchronization gives rise to classical synchronization. Finally, we hypothesize that this mechanism may play a role in switching from normal to explosive states in the brain, where explosive synchronization has been proposed to be related to some pathologies like epilepsy and fibromyalgia.
Data-driven assessment of magnetic charged particle confinement parameter scaling in magnetized liner inertial fusion experiments on Z
Authors: Lewis William E. , Mannion Owen M. , Ruiz D. E. , Jennings Christopher A. , Knapp Patrick F. , Gomez Matthew R. , Harvey-Thompson Adam J. , Weis Matthew R. , Slutz Stephen A. , Ampleford David J. , Beckwith Kristian
Published: May 2023

In magneto-inertial fusion, the ratio of the characteristic fuel length perpendicular to the applied magnetic field R to the α-particle Larmor radius ϱα is a critical parameter setting the scale of electron thermal-conduction loss and charged burn-product confinement. Using a previously developed deep-learning-based Bayesian inference tool, we obtain the magnetic-field fuel-radius product BR∝R/ϱα from an ensemble of 16 magnetized liner inertial fusion (MagLIF) experiments. Observations of the trends in BR are consistent with relative trade-offs between compression and flux loss as well as the impact of mix from 1D resistive radiation magneto-hydrodynamics simulations in all but two experiments, for which 3D effects are hypothesized to play a significant role. Finally, we explain the relationship between BR and the generalized Lawson parameter χ. Our results indicate the ability to improve performance in MagLIF through careful tuning of experimental inputs, while also highlighting key risks from mix and 3D effects that must be mitigated in scaling MagLIF to higher currents with a next-generation driver.
Calculation of the ELF in the excited state with single-determinant methods
Authors: Echeverri Andrea , Gallegos Miguel , Gómez Tatiana , Pendás Ángel Martín , Cárdenas Carlos
Published: May 2023

Since its first definition, back in 1990, the electron localization function (ELF) has settled as one of the most commonly employed techniques to characterize the nature of the chemical bond in real space. Although most of the work using the ELF has focused on the study of ground-state chemical reactivity, a growing interest has blossomed to apply these techniques to the nearly unexplored realm of excited states and photochemistry. Since accurate excited electronic states usually require to account appropriately for electron correlation, the standard single-determinant ELF formulation cannot be blindly applied to them, and it is necessary to turn to correlated ELF descriptions based on the two-particle density matrix (2-PDM). The latter requires costly wavefunction approaches, unaffordable for most of the systems of current photochemical interest. Here, we compare the exact, 2-PDM-based ELF results with those of approximate 2-PDM reconstructions taken from reduced density matrix functional theory. Our approach is put to the test in a wide variety of representative scenarios, such as those provided by the lowest-lying excited electronic states of simple diatomic and polyatomic molecules. Altogether, our results suggest that even approximate 2-PDMs are able to accurately reproduce, on a general basis, the topological and statistical features of the ELF scalar field, paving the way toward the application of cost-effective methodologies, such as time-dependent-Hartree–Fock or time-dependent density functional theory, in the accurate description of the chemical bonding in excited states of photochemical relevance.
Chemically sensitive fluorescence imaging of colliding microdroplets
Authors: Quine Zachary , Goun Alexei , Laforge Francois , Rabitz Herschel , Law Chung K.
Published: May 2023

We present a simple optical capability for generating spatially resolved chemical concentration maps of mixing fluids using a chemically sensitive dye, 1-hydroxy-3,6,8-pyrenetrisulfonic acid, detected by planar laser induced fluorescence. To demonstrate an application of this capability, we investigate the collision and mixing of a pair of microdroplets in air. The two microdroplets are composed of different fluids, methanol and water, with the dye initially in the methanol droplet. When the droplets collide and mixing process develops, the fluorescence of the dye shifts from blue to green as the solvent environment changes. A series of spectral-temporal images of the collision and subsequent mixing are recorded, from which we extract the distribution of the two intermixing droplet species reflected in the spatially resolved dye spectra. Images reveal material transfer between droplets in both coalescing and non-coalescing droplet collisions.
Large-eddy simulation of magnetohydrodynamics and heat transfer in annular pipe liquid metal flow
Authors: Fico Francesco , Langella Ivan , Xia Hao
Published: May 2023

Turbulent structures in a concentric annular pipe within a uniform transverse magnetic field are examined for a liquid metal flow. Large-eddy simulations are performed to study the effect of magnetic field on turbulence suppression and heat transfer within this geometry. At the characteristic Prandtl number of liquid metals, the smallest scales based on temperature fluctuations are much larger than those of the velocity, which allows to resolve all the temperature scales with sufficient accuracy. The calculations are run at Reynolds number 8900 for three different Hartmann numbers, Ha=40,60,120. The comparison with available direct numerical simulation data shows encouraging agreement. The main findings of this work show a circumferential dependency of the flow characteristics on the local orientation of the magnetic field, with increased anisotropy observed at all Hartmann numbers studied. Anisotropic effects of the magnetic field are predominant for Ha = 60 and Ha = 120 causing turbulence to deviate from its conventional state. At these Hartmann numbers, a partial redistribution of the turbulent kinetic energy from the axial and radial components to the azimuthal component is observed. This effect, observed here for the first time, appears to be related to the appearance of coexisting quasi two-dimensional (2D) and three-dimensional (3D) turbulence states. Moreover, large skin friction increments are also observed at Ha = 60 and Ha = 120, while coherent structures stretching and streak suppression are found for all three Hartmann numbers.
Macro-analysis of climatic factors for COVID-19 pandemic based on Köppen–Geiger climate classification
Authors: Chen Fangyuan , Chen Siya , Huang Hua , Deng Yingying , Yang Weizhong
Published: May 2023

This study integrated dynamic models and statistical methods to design a novel macroanalysis approach to judge the climate impacts. First, the incidence difference across Köppen–Geiger climate regions was used to determine the four risk areas. Then, the effective influence of climate factors was proved according to the non-climate factors' non-difference among the risk areas, multi-source non-major component data assisting the proof. It is found that cold steppe arid climates and wet temperate climates are more likely to transmit SARS-CoV-2 among human beings. Although the results verified that the global optimum temperature was around 10 °C, and the average humidity was 71%, there was evident heterogeneity among different climate risk areas. The first-grade and fourth-grade risk regions in the Northern Hemisphere and fourth-grade risk regions in the Southern Hemisphere are more sensitive to temperature. However, the third-grade risk region in the Southern Hemisphere is more sensitive to relative humidity. The Southern Hemisphere's third-grade and fourth-grade risk regions are more sensitive to precipitation.
Hyphenated DEMS and ATR-SEIRAS techniques for in situ multidimensional analysis of lithium-ion batteries and beyond
Authors: Pang Long , Zhao Zhiwei , Ma Xian-Yin , Cai Wen-Bin , Guo Limin , Dong Shaojun , Liu Chuntai , Peng Zhangquan
Published: May 2023

A wide spectrum of state-of-the-art characterization techniques have been devised to monitor the electrode–electrolyte interface that dictates the performance of electrochemical devices. However, coupling multiple characterization techniques to realize in situ multidimensional analysis of electrochemical interfaces remains a challenge. Herein, we presented a hyphenated differential electrochemical mass spectrometry and attenuated total reflection surface enhanced infrared absorption spectroscopy analytical method via a specially designed electrochemical cell that enables a simultaneous detection of deposited and volatile interface species under electrochemical reaction conditions, especially suitable for non-aqueous, electrolyte-based energy devices. As a proof of concept, we demonstrated the capability of the homemade setup and obtained the valuable reaction mechanisms, by taking the tantalizing reactions in non-aqueous lithium-ion batteries (i.e., oxidation and reduction processes of carbonate-based electrolytes on Li1+xNi0.8Mn0.1Co0.1O2 and graphite surfaces) and lithium-oxygen batteries (i.e., reversibility of the oxygen reaction) as model reactions. Overall, we believe that the coupled and complementary techniques reported here will provide important insights into the interfacial electrochemistry of energy storage materials (i.e., in situ, multi-dimensional information in one single experiment) and generate much interest in the electrochemistry community and beyond.
Topologically assisted optimization for rotor design
Authors: Iollo Angelo , Cornejo Maceda Guy Y. , Noack Bernd R.
Published: May 2023

We develop and apply a novel shape optimization exemplified for a two-blade rotor with respect to the figure of merit. This topologically assisted optimization contains two steps. First, a global evolutionary optimization is performed for the shape parameters, and then a topological analysis reveals the local and global extrema of the objective function directly from the data. This non-dimensional objective function compares the achieved thrust with the required torque. Rotor blades have a decisive contribution to the performance of quadcopters. A two-blade rotor with pre-defined chord length distribution is chosen as the baseline model. The simulation is performed in a moving reference frame with a k−ω turbulence model for the hovering condition. The rotor shape is parameterized by the twist angle distribution. The optimization of this distribution employs a genetic algorithm. The local maxima are distilled from the data using a novel topological analysis inspired by discrete scalar-field topology. We identify one global maximum to be located in the interior of the data and five further local maxima related to errors from non-converged simulations. The interior location of the global optimum suggests that small improvements can be gained from further optimization. The local maxima have a small persistence, i.e., disappear under a small ε perturbation of the figure of merit values. In other words, the data may be approximated by a smooth mono-modal surrogate model. Thus, the topological data analysis provides valuable insight for optimization and surrogate modeling.
A review of symbolic dynamics and symbolic reconstruction of dynamical systems
Authors: Hirata Yoshito , Amigó José M.
Published: May 2023

Discretizing a nonlinear time series enables us to calculate its statistics fast and rigorously. Before the turn of the century, the approach using partitions was dominant. In the last two decades, discretization via permutations has been developed to a powerful methodology, while recurrence plots have recently begun to be recognized as a method of discretization. In the meantime, horizontal visibility graphs have also been proposed to discretize time series. In this review, we summarize these methods and compare them from the viewpoint of symbolic dynamics, which is the right framework to study the symbolic representation of nonlinear time series and the inverse process: the symbolic reconstruction of dynamical systems. As we will show, symbolic dynamics is currently a very active research field with interesting applications.