bluuebunny/crossref_metadata_2025 huggingface dataset:
Biobased Epoxy Eugenol Vitrimers: Influence of Impurities of Technical Grade Monomers on the Network Characteristics
Authors: Tannert Robin , Taubert Andreas , Weber Jens
Published: September 2023

The influence of a defined impurity on the network characteristics of vitrimers made from an epoxidized eugenol derivative and various dicarboxylic acids is reported. One major characteristic of the monomer is the fact that it is not “clean” but rather is a mixture of the mono and diepoxidized eugenol derivatives. Mixtures like this could be thought to be representative of many technical grade compounds and the current system therefore serves as a model system to evaluate the effect of epoxide mixtures on the synthesis and the properties of the final vitrimers. The vitrimer preparation is found to be not affected by the different epoxy fractions, but in terms of the properties, there is an effect on the glass transition temperature both with the type of dicarboxylic acid but also with the level of epoxy functionalities present in the system. In spite of this, the ability of the vitrimer to perform the exchange reaction is not affected and all vitrimers can be reshaped or reprocessed showing that the processing is not affected by the changes in epoxy purity.
Effective divisors on projectivized Hodge bundles and modular Forms
Authors: van der Geer Gerard , Kouvidakis Alexis
Published: September 2023

We construct vector‐valued modular forms on moduli spaces of curves and abelian varieties using effective divisors in projectivized Hodge bundles over moduli of curves. Cycle relations tell us the weight of these modular forms. In particular, we construct basic modular forms for genus 2 and 3. We also discuss modular forms on the moduli of hyperelliptic curves. In that case, the relative canonical bundle is a pull back of a line bundle on a ‐bundle over the moduli of hyperelliptic curves and we extend that line bundle to a compactification so that its push down is (close to) the Hodge bundle and use this to construct modular forms. In the Appendix, we use our method to calculate divisor classes in the dual projectivized ‐Hodge bundle determined by Gheorghita–Tarasca and by Korotkin–Sauvaget–Zograf.
A shifted Chebyshev operational matrix method for pantograph‐type nonlinear fractional differential equations
Authors: Yang Changqing , Lv Xiaoguang
Published: September 2023

In this study, we investigate and analyze an approximation of the Chebyshev polynomials for pantograph‐type fractional‐order differential equations. First, we construct the operational matrices of pantograph and Caputo fractional derivatives using Chebyshev interpolation. Then, the obtained matrices are utilized to approximate the fractional derivative. We also provide a detailed convergence analysis in terms of the weighted square norm. Finally, we describe and discuss the results of three numerical experiments conducted to confirm the applicability and accuracy of the computational scheme.
Analyzing Bioaccessibility of Polyphenols in Six Commercial and Six Traditional Apples (Malus domestica Borkh.) during In Vitro and Ex Vivo Oral Digestion
Authors: Kaeswurm Julia Anna Helene , Sempio Rebecca , Manca Federica , Burandt Melanie Regina , Buchweitz Maria
Published: September 2023

Scope

Apples are an important polyphenol (PP) source. To compare the health benefits of traditional and commercial varieties, the phenolic contents and profiles as well as their release from the matrix (bioaccessibility) during oral digestion are determined. Furthermore, based on these data the proposed beneficial effect of PP on the variety specific allergenicity is discussed.

Methods and results

Phenolics are quantified by HPLC‐DAD. Total phenolic contents (TPC) are in the range of 111–645 and 343–1950 mg 100 g−1 dry weight for flesh and peel, respectively. Matrix release during oral digestion is investigated ex vivo, with centrifuged and non‐centrifuged human saliva and in vitro with simulated saliva fluid (SSF). The overall bioaccessibility is similar in all digestion media, ranging between 40–80% and 39–65% of the TPC in flesh and peel, respectively. Analyzing the correlation among Mal‐d 1‐allergen‐content, unoxidized PP, and the allergenic potential for the samples reveals a negligible effect of phenolics.

Conclusion

Due to higher phenolic contents in combination with a similar release, increased PP concentrations in the oral phase and an improved uptake of PP from traditional varieties are assumed. However, the proposed beneficial effect of phenolics on allergenicity cannot be confirmed.
Dityrosine Aggravates Hepatic Insulin Resistance in Obese Mice by Altering Gut Microbiota and the LPS/TLR4/NF‐κB Inflammatory Pathway
Authors: Ding Yin‐Yi , Lan Jinchi , Fang Yumeng , Pan Yuxiang , Gu Zhenyu , Xue Jing , Yang Ying , Jiang Mengqi , Ge Yujun , Shen Qing
Published: September 2023

Scope

Dityrosine is the main product of protein oxidation, which has been proved to be a threat to human health. This study aims to investigate whether dityrosine exacerbates insulin resistance by inducing gut flora disturbance and associated inflammatory responses.

Methods and results

Mice fed with normal diet or high‐fat diet (HFD) received daily gavage of dityrosine (320 µg kg−1 BW) or saline for consecutive 13 weeks. The effects of dityrosine on gut microbiota are verified by in vitro fermentation using fecal microbiota from db/m mice and db/db mice. As a result, dityrosine causes the insulin resistance in mice fed normal diet, and aggravates the effects of HFD on insulin sensitivity. Dityrosine increases the levels of lipopolysaccharide (LPS), lipopolysaccharide‐binding protein (LBP), toll‐like receptor 4 (TLR4), nuclear factor kappa‐B (NF‐κB), tumor necrosis factor‐α (TNF‐α), interleukin‐6 (IL‐6), and interleukin‐8 (IL‐8) but decreases levels of interleukin‐10 (IL‐10) in the plasma of CON and HFD‐fed mice. The changes of gut flora composition caused by dityrosine are significantly correlated with the changes of inflammatory biomarkers.

Conclusion

The effects of dityrosine on insulin resistance may be attributed to the reshaping of the gut microbiota composition and promoting the activity of the LPS/TLR4/NF‐κB inflammatory pathway in HFD‐induced obese individuals.
Wide stopband QMSIW diplexer with large frequency ratio and flexible specification
Authors: Weng Lin‐Yang , Tu Wen‐Hua
Published: September 2023

In this letter, a wide stopband quarter‐mode substrate‐integrated waveguide (QMSIW) diplexer is proposed. By using coupling feeding lines and QMSIW cavities, the two passbands of the diplexer can be controlled independently by their respective QMSIW bandpass filters. In comparison to other counterparts, the proposed diplexer provides flexible passband specification, compact size, and high isolation. The design exhibits a wide 20‐dB stopband up to 3.2f0, a frequency ratio of 1.6, and a high isolation level larger than 42.2 dB across the passbands.
Automated segmentation of insect anatomy from micro‐CT images using deep learning
Authors: Toulkeridou Evropi , Gutierrez Carlos Enrique , Baum Daniel , Doya Kenji , Economo Evan P.
Published: September 2023

Three‐dimensional (3D) imaging, such as microcomputed tomography (micro‐CT), is increasingly being used by organismal biologists for precise and comprehensive anatomical characterization. However, the segmentation of anatomical structures remains a bottleneck in research, often requiring tedious manual work. Here, we propose a pipeline for the fully automated segmentation of anatomical structures in micro‐CT images utilizing state‐of‐the‐art deep learning methods, selecting the ant brain as a test case. We implemented the U‐Net architecture for two‐dimensional (2D) image segmentation for our convolutional neural network (CNN), combined with pixel‐island detection. For training and validation of the network, we assembled a data set of semimanually segmented brain images of 76 ant species. The trained network predicted the brain area in ant images fast and accurately; its performance tested on validation sets showed good agreement between the prediction and the target, scoring 80% Intersection over Union (IoU) and 90% Dice Coefficient (F1) accuracy. While manual segmentation usually takes many hours for each brain, the trained network takes only a few minutes. Furthermore, our network is generalizable for segmenting the whole neural system in full‐body scans, and works in tests on distantly related and morphologically divergent insects (e.g., fruit flies). The latter suggests that methods like the one presented here generally apply across diverse taxa. Our method makes the construction of segmented maps and the morphological quantification of different species more efficient and scalable to large data sets, a step toward a big data approach to organismal anatomy.

Key points

Development of a deep learning‐based pipeline for the fully automated segmentation of micro‐CT images of insects, using ant brains as a starting point.

Creation of an open access data set of micro‐CT images of ant heads for training and testing.

Generalizable computer vision methodology, extendable across diverse taxa and anatomical features.
Clinical Value of Endoscopic Esophageal Screening in Head and Neck Squamous Cell Carcinoma Patients
Authors: Chen Wei‐Chih , Wu Ching‐Nung , Wang Yu‐Ming , Chiu Tai‐Jan , Wu Shao‐Chun , Yang Yao‐Hsu , Luo Sheng‐Dean
Published: September 2023

Objective

To investigate the clinical benefit of routine esophageal screening in newly diagnosed head and neck squamous cell carcinoma (HNSCC) patients.

Study Design

Retrospective cohort study.

Setting

Tertiary medical center.

Methods

This retrospective study selected newly diagnosed HNSCC patients from the Chang Gung Research Database between January 2007 and December 2019. Patients who underwent endoscopic esophageal examinations within 2 months of the initial diagnosis of HNSCC were included in the screening group. The clinical outcomes of the screening and nonscreening groups were analyzed.

Results

In total, 13,627 HNSCC patients were included, comprising 1032 females and 12,640 males (mean age 55.0 years), and the esophageal screening group included 7033 (51.4%) patients. The prevalence rate of esophageal tumors was 4.5%. Hypopharyngeal cancer patients were the most likely to have (13.4%) second primary esophageal tumors. The American Joint Committee on Cancer stage of the esophageal tumor was lower in the esophageal screening group than in the nonesophageal screening group. The oral, oropharyngeal, and hypopharyngeal cancer patients in the esophageal screening group had better survival outcomes than their counterparts in the nonesophageal screening group.

Conclusion

Endoscopic esophageal screening of newly diagnosed HNSCC patients can detect esophageal tumors at an early stage and improve overall survival. Esophageal screening could be a routine survey in HNSCC patients, particularly those with lifestyle risk factors and in countries with a high prevalence of esophageal cancer.
Laryngopharyngeal Reflux and Benign Vocal Fold Lesions: A Systematic Review and Meta‐analysis
Authors: Ren Quan‐Wei , Lei Gang , Zhao Yan‐Li , Zhou Li , Luo Xiao‐Li , Peng Shun‐Lin
Published: September 2023

Objective

There is a link between laryngopharyngeal reflux (LPR) and the formation of benign vocal fold lesions (BVFLs). However, previous studies have mainly focused on LPR suggested by symptoms and signs, rather than objectively diagnosed LPR via pharyngeal pH monitoring. We, therefore, conducted a Meta‐analysis to evaluate the association between pharyngeal pH monitoring diagnosed LPR and the odds of BVFLs.

Data Sources

Relevant observational studies were identified by searching PubMed, Embase, Cochrane Library, and Web of Science.

Review Methods

We evaluated between‐study heterogeneity using the Cochrane Q test and estimated the I2 statistic. Random‐effects models were used when significant heterogeneity was observed; otherwise, fixed‐effects models were used.

Results

Thirteen datasets from 9 studies were included. Among them, 493 were diagnosed with LPR and 344 had BVFLs. LPR was related to a higher odds of BVFLs (odds ratio: 3.26, 95% confidence interval: 1.84‐5.76, P < .001) with moderate heterogeneity (P for Cochrane Q test = .006, I2 = 57%). Subgroup analyses showed that the association was similar in studies with only pharyngeal pH monitoring (Restech), with double‐probe or 3‐site pH monitoring, and with 24‐hour multichannel intraluminal impedance‐pH monitoring (P for subgroup difference = .15). In addition, subgroup analysis showed consistent results in studies from Asia and Europe (P for subgroup analysis = .12), and the association seemed to be consistent for vocal Reinke's edema, nodules, and polyps (P for subgroup difference = .09).

Conclusion

Pharyngeal pH monitoring diagnosed LPR is associated with the formation of BVFLs.
On the three‐dimensional numerical analysis of residual stresses on two scales in hot bulk forming parts
Authors: Hellebrand Sonja , Brands Dominik , Schröder Jörg
Published: September 2023

Current research focuses on the induction of residual stresses in a component during its manufacturing process, which shows a significant impact on the final component's properties. During the manufacturing of a hot bulk forming component, the temperature evolution allows to influence the resulting residual stress state efficiently and purposefully. Following the characterization of residual stresses on different scales, single‐scale finite element simulations are carried out on macro‐ and microscale. In contrast to previous findings for two‐dimensional boundary value problems, the effects of the third dimension are demonstrated. Furthermore, it is shown that the residual stress distribution is effectively influenced by choosing different cooling routes in targeted manner. Eventually, the importance of microscopic residual stress investigations is discussed.
Above all: Motivation – some parts of our Maths for Engineers teaching concept
Authors: Feldmann Ute , Franz Sebastian
Published: September 2023

We present some parts of our Maths for Engineers teaching concept: above all, motivation: sometimes mathematics teachers observe that engineering students, for example, perceive the maths concepts as a useless evil for them and therefore learn with little motivation and sustainability. When the maths concepts are later used in other subjects, the students do not know how to apply them and teachers do not value the maths education very highly. We solve the motivation problem by linking the mathematics with the subject education: the maths exercise program contains tasks from the subject education at that moment when the necessary maths concepts are available; examples can be found here: https://tud.link/y33m. In this contribution we will document our experience in achieving this maths‐subject‐link and the success by motivating students.

Other parts of our teaching concept are: (1.) making recordings of lecture and tutorial available so that students can decide whether to attend the face‐to‐face lecture or watch the video ‘flipped‐classroom‐style’ at home: 4/5 of our students choose face‐to‐face but use the recordings for review. (2.) Instead of TWO small‐group‐tutorials per week, we offer ONE central‐tutorial and ONE small‐group‐tutorial per week: We are documenting the success of this change based on student views and on changes in exam scores: the pass rate did not change, but we are observing a raised midfield. (3.) by means of our extra credit rules: https://tud.link/6r84 we evoke (a) group work, (b) that students continuously ‘stay on task’ throughout the semester, as well as (c) keep reviewing what they have learned so far.
Manufacturing and mechanical testing of curved sandwich beams with zero‐Poisson's ratio honeycomb cores
Authors: Cao Haiying , Bao Wenyi , Bai Cuiping , Yan Qu , Wang Ben , Yang Yunze , Fan Hualin
Published: September 2023

In this research, free curling property of the over‐expanded honeycomb (OH) with zero Poisson's ratio was utilized to design and manufacture curved carbon fiber‐reinforced composite (CFRC) sandwich beams by hot compression molding technique and co‐curing process. Three‐point bending experiments were conducted to reveal the failure mechanism of these OH‐based curved sandwich beams with various curvatures. The results reveal that in this research no matter what the curvature is, the shearing fracture of the OH core controls the initial failure of the curved structure, which is followed by upper skin fracture, lower skin delamination and fracture. With the increase of curvature, the ultimate bearing capacity and flexural rigidity of the curved beams will increase. No debonding was observed in the experiments.

Highlights

Curved sandwich beams with zero‐Poisson's ratio honeycomb‐core was designed.

Deformation process from arc, flattening to anti‐arc was revealed by testing.

Strength of curved sandwich beams depends on shear strength of the honeycomb.

Beams with smaller curvature have greater bearing capacity and stiffness.
Ethical and legal considerations in a Swiss study on the quality of pharmacotherapy in the city of Basel
Authors: Bruppacher Rudolf , Kaeser Yolanda
Published: September 2023

We describe a study on the quality of pharmacotherapy that included downloading electronic records in pharmacies and obtaining other information from the Public Sickness Fund in Basel, Switzerland. Legal and ethical considerations were discussed with and approved by the Internal Review Board of the university clinics through which the project was organized. Technical procedures were used to assure anonymity of the records during data collection and for the analysis. Completion of the records through links with personal data could be performed using a legally required process for quality assurance of the Public Sickness Fund. Copyright © 2001 John Wiley & Sons, Ltd.
Fluid resuscitation and relation to respiratory support escalation in patients with and without pulmonary hypertension with sepsis
Authors: Fronrath Mary J. , Hencken Laura , Martz Carolyn R. , Kelly Bryan , Smith Zachary R.
Published: September 2023

Study Objective

To compare guideline‐based fluid resuscitation and need for respiratory support escalation in septic patients with pulmonary hypertension (PH) to those without PH.

Design

Single‐center, retrospective cohort study.

Setting

Tertiary care academic medical center in Detroit, Michigan.

Patients

Adult patients with or without PH hospitalized and diagnosed with sepsis from November 1, 2013 through December 31, 2019. Patients with sepsis were assigned to one of two groups based on a previous PH diagnosis or no PH diagnosis.

Intervention

None.

Measurements and Main Results

The primary outcome was incidence of respiratory support escalation within 72 h from sepsis time zero. Respiratory support escalation included high‐flow nasal cannula, bilevel positive airway pressure, or intubation. One‐hundred and four patients were included with 52 patients in each study group. Patients with PH were more likely to require escalation of respiratory support compared to non‐PH patients (32.7% vs. 11.5%; p = 0.009). Fewer patients with PH received 30 mL/kg of crystalloid within 6 h of time zero compared with non‐PH patients (3.8% vs. 42.3%; p < 0.001). Vasopressor initiation was more common in patients with PH compared with the non‐PH group (40.4% vs. 19.2%; p = 0.018). PH diagnosis was the only independent predictor of respiratory support escalation.

Conclusions

During initial sepsis management when compared with patients without PH, patients with PH had increased instances of respiratory support escalation within 72 h of sepsis time zero despite lower fluid resuscitation volumes.
Cyclization of 2,4‐dinitronaphth‐1‐yl amino acids and their analogues to naphthimindazol‐N‐oxides: Kinetics and mechanism
Authors: Omar Alaa Z. , Khattab Sherine N. , Ibrahim Mahmoud F. , El‐Sadany Samir K. , Hamed Ezzat A.
Published: September 2023

A variety of novel naphthimindazol‐N‐oxides and naphththiazol‐N‐oxide have been prepared in a simple two‐step process. The first step involves the reaction of 1‐chloro‐2,4‐dinitronaphthalene with glycine, alanine, glycolic acid, thioglycolic acid, and their methyl esters affording substitution products, the subsequent treatment of which with base furnishes naphthimindazol‐N‐oxide and naphththiazol‐N‐oxide derivatives. Stepwise reaction mechanisms via carbanions, nitrogen anions, and spiro Meisenheimer intermediates are proposed. The action of 10% NaOH in dioxane on the substitution products was measured spectrophotochemically, and the kinetic studies suggested that the N‐naphthyl glycine and N‐naphthyl alanine follow a second‐order rate law while S‐naphthyl thioglycolic acid is accurately first‐order kinetics.
Single‐center review on safety of biodegradable airway stenting in pediatric population
Authors: Minen Federico , Durward Andrew , James Paul , Diamantopoulos Athanasios , Jogeesvaran Haran , Morgan Gareth J. , Nyman Andrew
Published: September 2023

Background

Tracheobronchomalacia (TBM) and airway stenosis are recognized etiologies of airway obstruction among children. Their management is often challenging, requiring multiple interventions and prolonged respiratory support with associated long‐term morbidity. Metallic or silicone stents have been used with mixed success and high complication rates. More recently biodegradable Ella stents (BES) provided an attractive interventional option.

Objectives

We report our experience in the treatment of TBM and vascular airway compression using BES. We deliberately downsized them to minimize intraluminal granulation tissue formation.

Materials and Methods

Retrospective study over an 8‐year period between November 2012 and December 2020 of pediatric patients with severe airway obstruction requiring airway stenting for extubation failure, malacic death spells, recurrent chest infections, or lung collapse.

Results

Thirty‐three patients (5 tracheal and 28 bronchial diseases) required 55 BES during the study period. The smallest patient weighed 1.8 kg. Median age of patient at first stent implantation was 13.1 months (IQR 4.9–58.3). The majority of the bronchial stents were in the left main bronchus (93%), of which 57% for vascular compression. Repeat stents were used in 19 patients (57.7%), with a range of two to four times. We did not experience erosion, infection, or obstructive granuloma needing removal by forceps or lasering. Three stent grid occluded with secretions needing bronchoscopic lavage. Stent migration occurred in three patients.

Conclusions

BES holds promise as a treatment option with low rate of adverse effects for a specific subset of pediatric patients with airway malacia or vascular compression. Further studies are warranted.
Proteomic landscape of primary and metastatic brain tumors for heterogeneity discovery
Authors: Yang Shuang , Zhou Chengbin , Zhang Lei , Xiong Yueting , Zheng Yongtao , Bian Liuguan , Liu Xiaohui
Published: September 2023

Purpose

Despite recent advancements in our understanding of driver gene mutations and heterogeneity within brain tumors, whether primary or metastatic (also known as secondary), our comprehension of proteomic changes remains inadequate. The aim of this study is to provide an informative source for brain tumor researches, and distinguish primary brain tumors and secondary brain tumors from extracranial origins based on proteomic analysis.

Experimental Design

We assembled the most frequent brain tumors as follows: gliomas from WHO grade 2 to 4, with IDH1 mutations and wildtypes; brain metastases (BrMs) originating from lung cancer (LC), breast cancer (BC), ovarian cancer (OC), and colorectal cancer (CC). A total of 29 tissue samples were analyzed by label free quantitative mass spectrometry‐based proteomics.

Results

In total, 8165 protein groups were quantified, of which 4383 proteins were filtered at 50% valid intensity values for downstream analysis. Proteomic analysis of BrMs reveals conserved features shared among multiple origins. While proteomic heterogeneities were found for discriminating different grades of gliomas, as well as IDH1 mutant and wildtype gliomas. In addition, notable distinctions were observed at the pathway level between BrMs and gliomas. Specifically, BrMs exhibited characteristic pathways focused on proliferation and immunomodulation after colonizing the brain, whereas gliomas primarily engaged in invasion processes.

Conclusions and Clinical Relevance

We characterized an extensive proteomic landscape of BrMs and gliomas. These findings have promising implications for the development of targeted therapies for BrMs and gliomas.
Statin therapy: do we need to get the fats right?
Authors: Head Steve
Published: September 2023

There is little doubt that statin therapy is effective for preventing cardiovascular disease – but are we doing the right thing for the wrong reason, ponders Steve Head.
Toward Magneto‐Plasmonic Functionality in a Self‐Assembled Device Based on Colloidal Synthesis
Authors: Qodratipour Siavash , Halim Henry , Rothe Martin , Kewes Günter , Lu Yan , Benson Oliver
Published: September 2023

The confinement of surface plasmon polaritons (SPPs) offers strong field strengths also for longitudinal field components. Phenomena like spin‐momentum locking can thus be exploited for novel functionality in nanodevices. External control of transport or directional coupling of propagating SPPs would be highly interesting for applications. Herein, the coupling of noble metal and magnetic nanoparticles to a silver nanowire acting as SPP waveguide using a hybrid self‐assembly approach is demonstrated. A designated setup is reported to isolate and investigate magnetically controlled transport in such devices. Various configurations are measured to quantify the required sensitivity for the typically tiny magnet response at moderate strengths of the magnetic field. Although magnetic control cannot be achieved, the required improvements can be estimated based on a heuristic numerical model. It is suggested using an approach to enhance magnetic response using a combination of metal and magnetic nanoparticles. Such devices can be assembled in principle with self‐assembly approach in a multistep process.
Comparison of very high order (O3–18) flux and Crowley flux, and (O3–17) WENO flux schemes with a 2D nonlinear test problem
Authors: Straka Jerry M. , Kanak Katharine M. , Williams Paul D.
Published: September 2023

Two‐dimensional, nonlinear diffusion‐limited colliding plumes simulations were used to demonstrate the improved solution accuracy with very high order O9–18 flux schemes, including upwind‐biased and even‐centred constant grid flux and Crowley constant grid flux schemes, and odd order weighted essentially non‐oscillatory (WENO) flux schemes, along with variations and hybrids of these. All schemes were coupled with comparably high order even‐centred Lagrangian interpolations and pressure gradient/divergence approximations, and O18 spatial filtering. Subgrid‐scale (SGS) turbulent flux calculations, with a constant eddy‐mixing coefficient, were made with O2 spatial approximations (O4–20 accurate SGS turbulent fluxes had little impact). Using a range of resolutions from Δx = Δz = 25–166.66… m for all schemes comparisons against an O17 flux, 25 m resolution reference solution showed solutions made with ≥O9 fluxes produced (often substantially) improved solutions, both visually and usually objectively, compared to solutions produced with lower order (<O9/10) fluxes, especially at intermediate resolutions (33.33–100 m). Expectedly, odd order solutions were increasingly damped as accuracy was decreased, especially from O9 to O3, especially for WENO solutions, while even order solutions were increasingly contaminated with dispersion and aliasing errors as accuracy was decreased, especially from O10 to O4. Odd order schemes also produced better solutions than even order schemes for <O9/10 fluxes, while the highest order (≥O13/14) schemes produced the best solutions, for any given resolution. Even order flux and Crowley flux (WENO) solutions were the least (most) computationally expensive, based on either floating‐point operations (FPO) or CPU times. Efficient WENO‐Sine and proposed hybrid Crowley‐WENO(‐Sine) schemes required fewer FPOs to produce more accurate solutions than traditional WENO schemes. We are encouraged by the often much improved visual and objective accuracy of very high order (≥O9) fluxes in simulations of a complex problem, and encourage further testing in numerical weather prediction models.
Pairwise‐Parallel Entangling Gates on Orthogonal Modes in a Trapped‐Ion Chain
Authors: Zhu Yingyue , Green Alaina M. , Nguyen Nhung H. , Huerta Alderete C. , Mossman Elijah , Linke Norbert M.
Published: September 2023

Parallel operations are important for both near‐term quantum computers and larger‐scale fault‐tolerant machines because they reduce execution time and qubit idling. This study proposes and implements a pairwise‐parallel gate scheme on a trapped‐ion quantum computer. The gates are driven simultaneously on different sets of orthogonal motional modes of a trapped‐ion chain. This work demonstrates the utility of this scheme by creating a Greenberger‐Horne‐Zeilinger (GHZ) state in one step using parallel gates with one overlapping qubit. It also shows its advantage for circuits by implementing a digital quantum simulation of the dynamics of an interacting spin system, the transverse‐field Ising model. This method effectively extends the available gate depth by up to two times with no overhead when no overlapping qubit is involved, apart from additional initial cooling. This scheme can be easily applied to different trapped‐ion qubits and gate schemes, broadly enhancing the capabilities of trapped‐ion quantum computers.
Generation and Talbot Effect of Optical Vortex Lattices with High Orbital Angular Momenta
Authors: Luo Hao , Sang Suling , Xiao Zihang , Li Peng , Wen Feng , Gu Yuzong , Wu Zhenkun
Published: September 2023

Optical vortex lattices (OVLs) are gaining increased research attention owing to their unique features related to intensity and phase structure. Interference is a common method for generating an OVL. However, the topological charge (TC) of a single building block in an OVL is fixed and cannot be modulated, thereby limiting its applicability. This study entailed the use of phase multiplication to generate a high‐order OVL to facilitate the arbitrary modulation of its TC. The generated high‐order OVL exhibited the Talbot effect during transmission, and it transformed into a super‐honeycomb lattice at specific fractional Talbot lengths. In addition, an orbital angular momentum developed in the OVL; this has broad application prospects in optical micromanipulation. Further, a method for generating super‐honeycomb lattices is devised. The findings of this study enhances understanding of the Talbot effect and broaden the practical applicability of OVLs.
Recognizing OAM Modes of Electromagnetic Laguerre‐Gaussian Schell‐Model Vortex Beams in Atmospheric Turbulence from Polarization
Authors: Wang Jiao , Tie Xuyan , Tan Zhenkun , Wang Xianghui , Lei Sichen , Wu Pengfei
Published: September 2023

A key element of orbital angular momentum (OAM) multiplexing technology that still requires innovation is the accurate identification of the OAM mode at the receiving end. Herein, based on the electromagnetic Laguerre‐Gaussian Schell‐model vortex (ELGSMV) beam (2020 J. Opt. 22 91), analytical expressions for four properties are obtained: average intensity, degree of polarization (DoP), orientation angle of polarization (OAoP), and ellipticity. The OAoP and ellipticity distributions of ELGSMV beams in relation to the topological charge l and order p are investigated. This is innovatively demonstrate that the OAoP and ellipticity distributions of the ELGSMV beam are the petal‐like shape, with the number of petals being twice as large as the corresponding topological charge. And, the positive or negative value of the topological charge affects the direction in which the petal rotates. In addition, the ELGSMV beam has a higher resistance to atmospheric turbulence than the general partially coherent vortex beam from the perspective of the DoP properties. These novel results may not only propose an effective method for recognizing the OAM mode of a partially coherent vortex beam, but also provide a theoretical basis for the selection of high‐quality beams in applications like quantum information and wireless optical communication.
Fixed time event‐triggered control for high‐order nonlinear uncertain systems with time‐varying full state constraints
Authors: Yang Panpan , Wang Xuyang , Chen Xingwen , Du Sen
Published: September 2023

The fixed time event‐triggered control for high‐order nonlinear uncertain systems with time‐varying full state constraints is investigated in this paper. First, the event‐triggered control (ETC) mechanism is introduced to reduce the data transmission in the communication channel. In consideration of the physical constraints and engineering requirements, time‐varying barrier Lyapunov function (BLF) is deployed to make all the system states confined in the given time‐varying constraints. Then, the radial basis function neural networks (RBF NNs) are used to approximate the unknown nonlinear terms. Further, the fixed time stability strategy is deployed to make the system achieve semiglobal practical fixed time stability (SPFTS) and the convergence time is independent of the initial conditions. Finally, the proposed control scheme is verified by two simulation examples.
Dynamic quantization‐driven stability of networked control systems under DoS attacks
Authors: Li Lulu , Zhang Huihui , Sun Yifan , Lu Jianquan
Published: September 2023

This paper focuses on the stability problem of networked control systems (NCSs) under denial‐of‐service (DoS) attacks and bandwidth limitation. Firstly, the periodic dynamic quantization mechanism is extended to insecure systems, and a periodic‐like quantization strategy is proposed. Due to the designable period, such mechanism allows a trade‐off between better system performance and less energy consumption. With finite quantization levels, a reasonable parametric design is given to avoid quantizer saturation under general energy‐constrained DoS attacks. Secondly, a suitable quantized controller is designed for the system affected by DoS attacks. The relationship between the quantized controller and the DoS attacks is analyzed, and the criterion for NCSs achieving global asymptotic stability is derived. Finally, two numerical examples are given to verify the correctness of the theoretical result.
Micronutrients in coated phosphate fertilizer improve precision distribution and nutrient use efficiency of soybean
Authors: Nunes Ana Paula Pereira , Takayama Thalita , Sarkis Leonardo Fernandes , Guelfi Douglas
Published: September 2023

Challenges regarding uniform micronutrient distribution and P‐use efficiency in agricultural soils are common. Micronutrients can be added as coated P fertilizers, creating multi‐nutrient fertilizers for crops to address this issue. The objective of this study was to quantify the diffusion and availability of P, B, Cu, Mn, and Zn in coated P fertilizers. Another objective was to evaluate the nutrient uptake, partitioning, and yield of soybeans. Treatments were monoammonium phosphate and NPS (nitrogen, phosphorus, sulfur) fertilizer coated with Maxxi‐Phós and either Wolftrax, Microsol, or MIB Precise. Applied concentrations of B and Cu varied between 0.15% and 0.05%. The Mn and Zn ranged from 0.45% to 0.15%. Nutrient accumulation and recovery were assessed in the greenhouse and field trials. P diffusion ranged from 5.58 to 18.88 mm in 336 h. Micronutrient use efficiencies varied according to the soybean (Glycine max) phenological stages, with emphasis on the V4 stage, which resulted in the following values: B (0.65% to 13.89%), Cu (6.73% to 62.84%), Mn (0.73% to 3.36%), and Zn (0.01% to 2.34%). Nutrient exports were: 55.7 kg of P2O5 ha−1, 209.6 g of B ha−1, 109 g of Mn ha−1, 216.7 g of Zn ha−1, and 64.3 g of Cu ha−1. There was significant absorption (p ≤ 0.05) of B, Mn, and Zn at stages R1–R5.1 in the field trial, whereas it was from V4 to R1 for Cu. As a multi‐nutrient fertilizer for soybeans, micronutrient‐coated P fertilizers could replace exported nutrients.
Sample size optimization for clinical trials using graphical approaches for multiplicity adjustment
Authors: Zhang Fengqing , Gou Jiangtao
Published: September 2023

Graphical approach provides a useful framework for multiplicity adjustment in clinical trials with multiple endpoints. When designing a graphical approach, initial weight and transition probability for the endpoints are often assigned based on clinical importance. For example, practitioners may prefer putting more weights on some primary endpoints. The clinical preference can be formulated as a constrain in the sample size optimization problem. However, there has been a lack of theoretical guidance on how to specify initial weight and transition probability in a graphical approach to meet the clinical preference but at the same time to minimize the sample size needed for a power requirement. To fill this gap, we propose statistical methods to optimize sample size over initial weight and transition probability in a graphical approach under a common setting, which is to use marginal power for each endpoint in a trial design. Importantly, we prove that some of the commonly used graphical approaches such as putting all initial weights on one endpoint are suboptimal. Our methods are flexible, which can be used for both single‐arm trials and randomized controlled trials with either continuous or binary or mixed types of endpoints. Additionally, we prove the existence of optimal solution where all marginal powers are placed exactly at the prespecified values, assuming continuity. Two hypothetical clinical trial designs are presented to illustrate the application of our methods under different scenarios. Results are first presented for a design with two endpoints and are further generalized to three or more endpoints. Our findings are helpful to guide the design of a graphical approach and the sample size calculation in clinical trials.
Revisitation of the Preparation of (S,S)‐2,8‐Diazabicyclo[4.3.0]nonane Through Enzymatic Resolution.
Authors: Dalsaniya Sagar Chandrakant , Bharati Alika , Sudhakar Yogeswari , Khomane Navnath , Gurrala Sheelu , Ghosh Subhash , Kumaraguru Thenkrishnan
Published: September 2023

A chemo‐enzymatic route for the preparation of (S,S)‐2,8‐diazabicyclo[4.3.0]nonane, a key chiral intermediate of Moxifloxacin, has been evaluated and improved. The activity of immobilized Candida antarctica lipase B was found to be increased four times for the selective hydrolysis of cis‐dimethyl 1‐acetylpiperidine‐2,3‐dicarboxylate at 50 °C as compared to 27 °C. The reaction has an optimum temperature of 50–60 °C and an optimum pH of 7.5. The reaction follows typical Michaelis‐Menten kinetics with Vmax,obsd=2472 units/g, Km,obsd=0.334 M, n=6, correlation coeff. r=0.995 at 50 °C. The reaction time and enzyme loading were reduced to 26 h at 15 % (w/w) as compared to 14 days at 50 % (w/w) loading. The enzyme was found to be recyclable up to 5 times. Further, the reduction of dimethyl pyridine‐2,3‐dicarboxylate was performed at a temperature of 27 °C under an H2‐filled balloon, in the presence of Pd/C and acetic acid, under atmospheric pressure to give cis‐(±)‐Dimethylpiperidine‐2,3‐dicarboxylate. We anticipate that our results will be beneficial to the pharmaceutical industry for the large‐scale production of (S,S)‐2,8‐diazabicyclo[4.3.0]nonane.
Surface‐Reconstructed Ru‐Doped Nickel/Iron Oxyhydroxide Arrays for Efficient Oxygen Evolution
Authors: Kim Daekyu , Park Sumin , Choi Juhyung , Piao Yuanzhe , Lee Lawrence Yoon Suk
Published: September 2023

The generation of an active phase through dynamic surface reconstruction is a promising strategy for improving the activity of electrocatalysts. However, studies investigating the reconstruction process and its impact on the intrinsic properties of the catalysts are scarce. Herein, the surface reconstruction of NiFe2O4 interfaced with NiMoO4 (Ru–NFO/NMO) facilitated by Ru doping is reported. The electrochemical and material characterizations demonstrate that Ru doping can regulate the electronic structure of NFO/NMO and induce the high‐valence state of Ni3.6+δ, facilitating the surface reconstruction to highly active Ru‐doped NiFeOOH/NiOOH (SR‐Ru–NFO/NMO). The optimized SR‐Ru–NFO/NMO exhibits promising performance in the oxygen evolution reaction, displaying a low overpotential of 229 mV at 10 mA cm−2 and good stability at varying current densities for 80 h. Density functional theory calculations indicate that Ru doping can increase the electron density and optimize intermediate adsorption by shifting the d‐band center downward. This work provides valuable insights into the tuning of electrocatalysts by surface reconstruction and offers a rational design strategy for the development of highly active oxygen evolution reaction electrocatalysts.
Biohybrid Urchin‐Like ZnO‐Based Microspheres with Tunable Hierarchical Structures and Enhanced Photoelectrocatalytic Properties
Authors: Zhou Hui , Cai Jun , Gu Bo , Zhang Deyuan , Gong De
Published: September 2023

Microorganisms have attracted much attention to act as biotemplates for fabricating micro/nanostructured functional particles. However, it is still challenging to produce tunable hierarchical particles based on microorganisms with intricate architectures and superior stability. Herein, a novel strategy is developed to fabricate biohybrid urchin‐like magnetic ZnO microspheres based on Chlorella (Ch.) with tunable hierarchical core–shell structures. Using Ch. cells as microspherical templates, Fe3O4 nanoparticles and ZnO nanorod (NR) arrays are deposited in sequence to form the final biohybrid heterostructure microspheres (Ch.@Fe3O4@ZnO NRs). Ordered growth and structural regulation of 3D ZnO NR arrays are achieved via a facile and controllable manner. Compared with the prepared microspheres with diverse structure configurations of ZnO shells, the Ch.@Fe3O4@ZnO NRs possess excellent light absorption and photoelectrocatalysis performance toward tetracycline degradation (normalized apparent rate constant, k = 366.3 h−1 g−1), which is significantly larger than that of ZnO nanoflower/nanoparticle loaded types. It also proves that the synergistic enhancement of well‐oriented ZnO NR arrays, heterojunction structures, and biomass features is the fundamental reason for outstanding photoelectrocatalytic activity. Due to the remarkable stability and versatility, this work provides abundant opportunities to construct biohybrid multilevel micro/nanostructures with significant potentials for practical applications.
RotNet: A Rotationally Invariant Graph Neural Network for Quantum Mechanical Calculations
Authors: Tu Hongwei , Han Yanqiang , Wang Zhilong , Chen An , Tao Kehao , Ye Simin , Wang Shiwei , Wei Zhiyun , Li Jinjin
Published: September 2023

Deep learning has proven promising in biological and chemical applications, aiding in accurate predictions of properties such as atomic forces, energies, and material band gaps. Traditional methods with rotational invariance, one of the most crucial physical laws for predictions made by machine learning, have relied on Fourier transforms or specialized convolution filters, leading to complex model design and reduced accuracy and efficiency. However, models without rotational invariance exhibit poor generalization ability across datasets. Addressing this contradiction, this work proposes a rotationally invariant graph neural network, named RotNet, for accurate and accelerated quantum mechanical calculations that can overcome the generalization deficiency caused by rotations of molecules. RotNet ensures rotational invariance through an effective transformation and learns distance and angular information from atomic coordinates. Benchmark experiments on three datasets (protein fragments, electronic materials, and QM9) demonstrate that the proposed RotNet framework outperforms popular baselines and generalizes well to spatial data with varying rotations. The high accuracy, efficiency, and fast convergence of RotNet suggest that it has tremendous potential to significantly facilitate studies of protein dynamics simulation and materials engineering while maintaining physical plausibility.
Rejuvenation of Electrochromic Devices
Authors: Li Wenjie , Zhang Xiang , Yan Dukang , Wang Lebin , Sun Wenhai , Li Zitong , Deng Jianbo , Zhao Jiupeng , Li Yao
Published: September 2023

Electrochromic devices (ECDs) are a hot pot due to their significant energy‐saving effect in green buildings. However, the ECDs suffer from degradation induced by ion trapping during cycling, which restricts their further development. Here, it is demonstrated that the electrochromic performance of the degraded ECDs can be rejuvenated by heat treatment method The release mechanism of trapped ions in films is simulated and validated using three types of ECDs. The semi‐solid‐state ECD evinces a state of near‐failure at low temperatures can regain its initial performance by heating. All‐solid‐state ECDs, including amorphous WO3 (a‐WO3 ECD) and crystalline WO3 (c‐WO3 ECD) as the electrochromic layer, can also release the trapped ions and regain the performance (97.3% and 95.5% of initial optical modulation) by annealing, regardless of the way of degradation. The research has extended the lifespan of multiple ECDs, providing significant practical value and promoting sustainable, and eco‐friendly development.
Genomic prediction with machine learning in sugarcane, a complex highly polyploid clonally propagated crop with substantial non‐additive variation for key traits
Authors: Chen Chensong , Powell Owen , Dinglasan Eric , Ross Elizabeth M. , Yadav Seema , Wei Xianming , Atkin Felicity , Deomano Emily , Hayes Ben J.
Published: September 2023

Sugarcane has a complex, highly polyploid genome with multi‐species ancestry. Additive models for genomic prediction of clonal performance might not capture interactions between genes and alleles from different ploidies and ancestral species. As such, genomic prediction in sugarcane presents an interesting case for machine learning (ML) methods, which are purportedly able to deal with high levels of complexity in prediction. Here, we investigated deep learning (DL) neural networks, including multilayer networks (MLP) and convolution neural networks (CNN), and an ensemble machine learning approach, random forest (RF), for genomic prediction in sugarcane. The data set used was 2912 sugarcane clones, scored for 26,086 genome wide single nucleotide polymorphism markers, with final assessment trial data for total cane harvested (TCH), commercial cane sugar (CCS), and fiber content (Fiber). The clones in the latest trial (2017) were used as a validation set. We compared prediction accuracy of these methods to genomic best linear unbiased prediction (GBLUP) extended to include dominance and epistatic effects. The prediction accuracies from GBLUP models were up to 0.37 for TCH, 0.43 for CCS, and 0.48 for Fiber, while the optimized ML models had prediction accuracies of 0.35 for TCH, 0.38 for CCS, and 0.48 for Fiber. Both RF and DL neural network models have comparable predictive ability with the additive GBLUP model but are less accurate than the extended GBLUP model.