bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unraveling Reactivity Pathways: Dihydrogen Activation and Hydrogenation of Multiple Bonds by Pyramidalized Boron‐Based Frustrated Lewis Pairs
Authors: Mondal Himangshu , Chattaraj Pratim Kumar 
Published: December 2023

AbstractThe activation of H2 by pyramidalized boron‐based frustrated Lewis Pairs (FLPs) (B/E‐FLP systems where “E” refers to N, P, As, Sb, and Bi) have been explored using density functional theory (DFT) based computational study. The activation pathway for the entire process is accurately characterized through the utilization of the activation strain model (ASM) of reactivity, shedding light on the underlying physical factors governing the process. The study also explores the hydrogenation process of multiple bonds with the help of B/N‐FLP. The research findings demonstrate that the liberation of activated dihydrogen occurs in a synchronized, albeit noticeably asynchronous, fashion. The transformation is extensively elucidated using the activation strain model and the energy decomposition analysis. This approach suggests a co‐operative double hydrogen‐transfer mechanism, where the B−H hydride triggers a nucleophilic attack on the carbon atom of the multiple bonds, succeeded by the migration of the protic N−H.
Experimental and numerical studies on the mechanical characteristics of Timoho fiber epoxy composites with nanofiller addition
Authors: Hminghlui Lal , Ashok Kumaresan Gladys , Raju Munisamy , Praveen Kumar Alagesan , Damodaran Ajith 
Published: December 2023

AbstractThis study is focused on the investigation of the mechanical characteristics of Timoho fiber (TF) epoxy composites with graphene as the filler material, both experimentally and numerically, for high‐velocity impacts. The composites were prepared by the compression molding process with varying wt.% of graphene. An experimental approach was undertaken to study the behavior of the composites under different wt.% of graphene. To validate the results obtained in the experimental approach, numerical studies were conducted. It was observed that there was an enhancement in the mechanical properties with the addition of graphene. For tensile strength, there was an increase of 33.17% when comparing the controlled sample (0% graphene) and the sample with 2% graphene content. Subsequently, there was an increase of 36.48%, 58.02%, and 29.79% when comparing the controlled samples and samples with 2% graphene, respectively, for flexural, impact, and interlaminar shear strength (ILSS). However, it was observed that after the addition of 2 wt.% of graphene, the mechanical strength decreased due to the agglomeration of graphene inside the composite, which was confirmed using the SEM analysis. For the numerical study, ANSYS workbench was employed, and simulation was conducted using finite element analysis (FEA) for the tensile and flexural test. The numerical findings were found to be reasonably close to the experimental values, with variations ranging from a minimum of 2% to a maximum of 15%. In the design of experiments, Taguchi's approach was used to determine the effect of a variety of parameters on the tensile behavior of the TF epoxy composites.Highlights
2 wt.% of graphene was observed to be the optimum concentration of graphene.
The decline in mechanical properties was observed at 3 and 4 wt.% of graphene.
Agglomeration of graphene filler in the composite was confirmed using SEM.
ANOVA showed that wt.% of graphene made the top contribution to tensile strength.
The nanographene‐incorporated TF composites can be used for lightweight applications.
Fire incongruities can explain widespread landscape degradation in Madagascar's forests and grasslands
Authors: Joseph Grant S. , Seymour Colleen L. , Rakotoarivelo Andrinajoro R. 
Published: December 2023

Societal Impact StatementThe relationship between rainfall, fire and habitat can display incongruencies. The 2021 Malagasy Grassy Biomes Workshop identified understanding fire regimes as a knowledge gap. This study pinpoints regions where anthropogenic fire has the potential to transform or has transformed habitat to treeless‐grassland, by identifying landscape‐scale, island‐wide fire anomalies across half of Madagascar. Its eastern forests burn like savannas, and central‐western grasslands burn frequently and intensely despite receiving rainfall usually associated with forest and fire‐absence. Recognising the incongruity and better understanding its drivers can mitigate against landscape‐scale degradation, improving ecological function, and human well‐being.Summary

Data show that since 1953, human‐lit fires on Madagascar have transformed clear‐cut forest to treeless‐grasslands. To address the extent of Malagasy treeless‐grasslands at human settlement, the 2021 Malagasy Grassy Biomes Workshop identified the role of fire as a critical knowledge‐gap for understanding ecological function. The relationship between mean annual precipitation (MAP), fire and habitat is well established across mesic systems. Anthropogenically transformed habitats often deviate from expected ecological patterns, so we tested for landscape‐scale, island‐wide MAP‐related fire and habitat anomalies.
We collated Malagasy fire, habitat and MAP datasets, identifying location and scale of incongruities relative to global fire‐habitat‐MAP expectations. Next, we tested for mismatches in fire regimes (frequency, timing, extent and intensity of fires) between Malagasy and equivalent global biomes, using global, comprehensive landscape‐scale fire regime data.
Across half of Madagascar, fire frequency and habitat are decoupled from MAP, and fire regimes across Malagasy ecoregions differ significantly from those in shared biomes elsewhere in the world. Landscape‐scale incongruities span Malagasy eastern forests (which burn like savanna systems) and central‐western treeless‐grasslands, which burn frequently and intensely despite receiving MAP typical of forest presence and fire‐absence, globally.
Fire‐MAP incongruities identify potentially transformed areas, or those undergoing transformation by fire, and establish a platform for investigating the nuanced social, political and ecological dynamics that may contribute to and perpetuate these anomalies. Incongruities also highlight the anthropogenic landscape degradation associated with fire anomalies. Addressing these impacts can facilitate restoration of ecological function, productivity and food security, benefiting biodiversity and humans at multiple scales.
CRISPR‐based platforms for the specific and dual detection of defoliating/nondefoliating strains of Verticillium dahliae
Authors: Chen Qi , Wu Jin , Tang Chen , Wang Yonglin 
Published: December 2023

AbstractBACKGROUNDVerticillium dahliae is a soil‐borne pathogenic fungus that causes Verticillium wilt disease on more than 400 plant species worldwide. Because of its broad host range and its ability to survive long term in the soil, there are few effective control measures for V. dahliae once it has become established. Accurate, sensitive, and rapid detection of V. dahliae is crucial for limiting pathogen entry into new regional environments and early management of Verticillium wilt.RESULTSIn this study, we developed a method to detect V. dahliae based on recombinase polymerase amplification (RPA) and CRISPR/Cas technology and used fluorescence and lateral flow test strips to monitor the outcomes. Through the establishment and optimization of RPA–CRISPR/Cas13a detection, the sensitivity of the fluorescence method was 1 am for genomic DNA (gDNA) within 20 min, whereas the sensitivity of the lateral flow strip method was 100 am for gDNA in 30 min. The field applicability of RPA–CRISPR/Cas13a was also validated by the detection of V. dahliae on smoke trees (Cotinus coggygria) in Xiangshan Park, Beijing, China. Finally, diplex detection for defoliating and nondefoliating pathotypes of V. dahliae was established by combining CRISPR–Cas12a/Cas13a with specific target genes.CONCLUSIONTaken together, this study achieved rapid, sensitive, and accurate detection of V. dahliae and the differentiation of defoliating and nondefoliating pathotypes and provides potential for field‐deployable diagnostic tools for rapid and ultrasensitive detection. © 2023 Society of Chemical Industry.
Sequential expression of small heat shock proteins contributing to the cold response of Haemaphysalis longicornis (Acari: Ixodidae)
Authors: Pei Tingwei , Zhang Meng , Nwanade Chuks F , Meng Hao , Bai Ruwei , Wang Zihao , Wang Ruotong , Zhang Tianai , Liu Jingze , Yu Zhijun 
Published: December 2023

AbstractBACKGROUNDHaemaphysalis longicornis is an important livestock pest and a serious threat to public health. Cold is a common form of stress affecting its survival and distribution. However, H. longicornis exhibits different physiological responses to cold stress. In this study, we systematically explored the regulation and functions of small heat shock proteins (sHsps) in H. longicornis during cold stress.RESULTSSeven sHsp genes (HlsHsp14.9, HlsHsp19.9, HlsHsp20.3, HlsHsp21.4, HlsHsp23.7, HlsHsp24.0, and HlsHsp26.1) with open reading frame lengths ranging from 408 bp (HlsHsp14.9) to 673 bp (HlsHsp26.1) were cloned from H. longicornis, and featured the typical α‐crystallin domain. Phylogenetic analysis revealed high similarity with the sHsps of arachnid species. Quantitative polymerase chain reaction analysis revealed that the regulation of sHsp genes depended on the severity and duration of cold treatment. Moreover, the relative expression of each gene was largely dependent on the treatment period (P < 0.01; 3, 6, and 9 days of treatment at 8, 4, 0, and −4 °C). Among all genes, HlsHsp14.9, HlsHsp19.9, HlsHsp20.3, and HlsHsp24.0 were most sensitive to rapid cold treatment. After RNA interference, the mortality of H. longicornis was significantly increased at −14 °C (P < 0.05), suggesting that the expression of sHsp genes is closely related to cold tolerance in H. longicornis.CONCLUSIONOur results indicate that sHsps play an important role in the cold stress response of H. longicornis, which may enhance our understanding of the cold adaptation mechanisms in ticks. © 2023 Society of Chemical Industry.
Probability of sequelae following Campylobacter spp. infections: Update of systematic reviews and meta‐analyses
Authors: Schorling Elisabeth , Knorr Sebastian , Lick Sonja , Steinberg Pablo , Brüggemann Dagmar Adeline 
Published: December 2023

AbstractIntroductionReactive arthritis (REA) and Guillain–Barré syndrome (GBS) are postinfectious complications of Campylobacter enteritis (CE); associations with inflammatory bowel diseases and irritable bowel syndrome (IBS) are also discussed. The objective of this study was to summarize existing evidence on the probability of sequelae following confirmed CE.MethodsAll studies included in previous reviews and meta‐analyses on this topic were retrieved and assessed for eligibility; a systematic literature search was conducted to collect more recent reports. For each sequela, random effects meta‐analyses were performed; the risk of bias and the quality of evidence were evaluated.ResultsIn total, 50 reports of observational studies were included; between 110,765 and 175,839 CE cases were considered for each sequela. The pooled proportion of CE cases that developed a sequela was 1.72% (95% CI 0.81–3.61; prediction interval [PI]: 0.03–47.65) for REA, 0.07% (0.03–0.16; PI: 0.003–1.59) for GBS, 0.22% (0.06–0.73; PI: 0.002–20.69) for Crohn's disease (CD), 0.35% (0.11–1.15; PI: 0.003–28.16) for ulcerative colitis (UC), and 4.48% (1.92–10.08; PI: 0.09–70.62) for IBS. The high between‐study heterogeneity could partially be explained by study size and design, the method of assessing sequelae, and the period between CE and sequelae onset. The quality of evidence was rated as moderate for GBS and UC, and low for REA, CD, and IBS.ConclusionUpdated estimates of the probability to develop sequelae after CE are provided, for CD and UC for the first time. However, uncertainty regarding the true probabilities remains, which is reflected in the broad PIs.
Ghost Imaging Through a Supersonic Wind‐Induced Environment Under Weak Illumination
Authors: Huang Xianwei , Tan Wei , Jiang Teng , Nan Suqin , Bai Yanfeng , Fu Xiquan 
Published: December 2023

AbstractIn airborne imaging, wind‐induced random environment severely disturbs the imaging quality. Ghost imaging (GI) shows its potential application in airborne imaging due to the natural ability of anti‐interference and imaging at low light levels, however, the influence of wind‐induced random environment on GI is non‐negligible under low‐light detection. In this paper, GI through a wind‐induced random environment under low‐light detection is experimentally and numerically investigated. The experiment is performed with a wind tunnel, and the imaging quality decreases with wind velocity and detection signal‐to‐noise ratio (SNR). The simulation model of GI under low‐light detection through this kind of environment is proposed, and simulation results match well with experiments. With the theoretical model, imaging results for the binary and grayscale object under supersonic wind region are discussed in detail, and the critical wind velocity under the influences of boundary‐layer thickness and object size are obtained. These results can find potential applications in optical imaging and can be used to estimate the effect of airflow on the imaging performance.
A case of idiopathic multicentric Castleman's disease with secondary autoimmune neutropenia
Authors: Morimoto Toshiki , Kawaguchi Takako , Yamasaki Kei , Shingu Tatsuya , Ikegami Hiroaki , Dosaka Hiroki , Murata Yuichi , Kawabata Yoshinori , Yatera Kazuhiro 
Published: December 2023

AbstractA 73‐year‐old Japanese woman with productive cough and dyspnoea on exertion was admitted, and she showed neutropenia and pulmonary reticular opacities and axial and mediastinal lymphadenopathies on chest computed tomography. The clinical findings and surgical lung and lymph node biopsies were diagnostic for idiopathic multicentric Castleman's disease (iMCD) complicated by secondary autoimmune neutropenia (AIN). iMCD is often complicated with hematologic disorders, however, iMCD complicated with AIN has not been reported; therefore, if iMCD is accompanied by neutropenia, the anti‐neutrophil antibodies should be measured.
Backstepping model‐free adaptive control for a class of second‐order nonlinear systems
Authors: Zhu Ze , Zhu Zhanxia 
Published: December 2023

SummaryThis paper proposes a backstepping model‐free adaptive control (BS‐MFAC) algorithm for the trajectory tracking control problem of a class of second‐order nonlinear systems. Firstly, the model‐free adaptive control (MFAC) is employed to track the virtual desired velocity. Then, based on the measured state data at the current moment, a virtual desired velocity is designed, combining MFAC with backstepping control in a clever manner. By designing a discrete form of Lyapunov function, it is proven that the system velocity error under this algorithm converges asymptotically and stably. Furthermore, a nonhomogeneous difference equation solution related to the system position is obtained through calculations. The analysis of the solution indicates that the system position output error will slide into a neighborhood around zero. This algorithm possesses advantages such as simple structure, model independence, and strong robustness. Additionally, a planar two‐link space robot arm model is constructed using the Mbdyn platform, a multibody dynamics simulation software. Trajectory tracking control of joint angles is achieved under the proposed control algorithm in this paper. The simulation outcomes unequivocally establish the efficacy of the algorithm, which adeptly exploits the pseudo partial derivatives (PPD) estimation for second‐order nonlinear systems in MFAC. The algorithm yields expedited and superior trajectory tracking control of said systems.
Segmentation and tracking of vegetable plants by exploiting vegetable shape feature for precision spray of agricultural robots
Authors: Hu Nan , Su Daobilige , Wang Shuo , Wang Xuechang , Zhong Huiyu , Wang Zimeng , Qiao Yongliang , Tan Yu 
Published: December 2023

AbstractFor robotic precision spray application in vegetable farms, simultaneous accurate instance segmentation and robust tracking of plants are of great importance and a prerequisite for the following spray action. With onboard cameras, agricultural robots can apply Multiple Object Tracking and Segmentation (MOTS) methods, for instance, segmentation and tracking of plants. By assigning a unique identification for each vegetable, it ensures the robot to spray each vegetable exactly once, while traversing along the farm rows. Conventional MOTS methods, which are mostly designed for tracking pedestrians or vehicles, usually extract their color and texture features for associating different targets in consecutive images. However, vegetable plants of the same species normally show similar color and texture, which leads to degraded performance when conventional MOTS methods are used. To solve the challenging problem of associating vegetables with similar color and texture in consecutive images, in this paper, a novel MOTS method that exploits contour and blob features is proposed, for instance, segmentation and tracking of multiple vegetable plants. The method takes advantage of the fact that different plants normally possess different shape contours and blob properties. With images captured on top of them, these features of the same plant show little difference in consecutively captured images. Comprehensive experiments including ablation studies are conducted, which prove its superior performance over two state‐of‐the‐art MOTS methods. Compared with the conventional MOTS methods, the proposed method is able to re‐identify objects which have gone out of the camera field of view and re‐appear again using the proposed data association strategy, which is important to ensure each vegetable be sprayed only once when the robot travels back and forth. Although the method is tested on lettuce farm, it can be applied to other similar vegetables, such as broccoli and canola. Both the code and the dataset of this paper are publicly released for the benefit of the community: https://github.com/NanH5837/LettuceMOTS.
Spatial variation characteristics and influencing factors of CO2 partial pressure in the middle reaches of the Yellow River during summer
Authors: Dang XiaoGe , Feng MinQuan , Jing HaiXiao , Wang YiBo , Dong Cheng 
Published: December 2023

AbstractThe partial pressure of CO2 in rivers regulates the intensity and direction of carbon dioxide (CO2) exchange at the water–air interface. Environmental, nutrient factors, and their stoichiometric ratios within the watershed may affect the level of carbon dioxide partial pressure in rivers. However, the relationship between pCO2 responses to the environment, nutrient factors, and their stoichiometric ratios at a large watershed scale was not well understood. In this study, water samples from 20 locations in the mainstream and 16 tributaries of the middle reaches of the Yellow River were collected to study the spatial characteristics of pCO2 and its influencing factors. pCO2 vales showed spatial heterogeneity ranging from 45.57 to 3631.48 μatm, and an average of 1341.87 μatm. Relative to the atmospheric equilibrium value (415 μatm), 90% of the samples were supersaturated. During the study period, higher pCO2 appeared in the Wanjiazhai Reservoir at the northernmost part of the mainstream in the middle reaches, and in the tributaries of the Fen, Wei, and Beiluo Rivers. Overall, the transition from carbon sink to carbon source was experienced in the middle reaches of the Yellow River from north to south. River pCO2 exhibited a significant correlation with phosphorus concentrations and their associated stoichiometric ratio, suggesting that microbial metabolism drove CO2 saturation in rivers. In addition, different land use proportions contributed significantly to changes in river pCO2.
Adsorption Isotherms and Kinetics of Acebutolol and Metoprolol on Magnetic Nanocomposite Fe3O4@MIL‐101(Cr)
Authors: Waleng Ngwako Joseas , Selahle Shirley Kholofelo , Jakavula Silindokuhle , Nqombolo Azile , Mpupa Anele , Zhang Yongjun , Nomngongo Philiswa Nosizo 
Published: December 2023

AbstractContamination of water bodies by emerging pollutants such as β‐blockers has been a global concern over the past few years. This is due to the bioaccumulative character of β‐blockers in the aquatic systems, and their excessive usage might cause adverse effects on both humans and aquatic biota. A reusable and recyclable magnetic chromium‐based MIL‐101 (Fe3O4@MIL‐101(Cr)) nanocomposite was used as an adsorbent for the removal of the selected β‐blockers (acebutolol and metoprolol) from wastewater. The nanocomposite‘s structural, magnetic and surface properties were confirmed using various characterisation techniques. The equilibrium data indicated that the maximum adsorption capacities of Fe3O4@MIL‐101(Cr) for acebutolol and metoprolol were 30.9 mg g−1 and 28.3 mg g−1, respectively. The isotherm and kinetic experimental data best fitted Langmuir isotherm and pseudo‐second‐order kinetics models. Obtained free energies using the Dubinin‐Radushkevich model were above 8 kJ mol−1, demonstrating that the interaction mechanism between β‐blockers and the Fe3O4@MIL‐101(Cr) nanocomposite was chemisorption. The prepared nanocomposite was then used to remove β‐blockers from real samples, and maximum removal efficiencies (94.1–97.1 %) were obtained in the presence of co‐existing species. The Fe3O4@MIL‐101(Cr) hybrid showed great potential for efficient and facile removal of β‐blockers from river water, effluent and influent wastewater samples.
In Silico Antiviral Drug Repurposing Against COVID‐19 Infection: Targeting the Main Protease and Human ACE2 Receptor
Authors: Rupavarshini Manoharan , Karthikeyan Subramani 
Published: December 2023

AbstractCoronavirus Disease‐2019 (COVID‐19) is a highly contagious respiratory illness caused by a novel coronavirus known as SARS‐CoV‐2. The virus exerts its pathogenic activity and infects new cells by utilizing the spike protein (S1) of the coronavirus and the Angiotensin‐converting enzyme 2 (ACE2) receptor protein found in host cells, thereby transferring the genetic material. The SARS‐CoV‐2 main protease, essential for viral replication, presents a promising therapeutic target due to its structural and sequence similarity with other beta coronaviruses, facilitating drug development from existing lead compounds. With this context, we have considered SARS‐CoV‐2 Main protease and spike protein combined with ACE2 receptor as the target protein for inhibiting the replication. In this study, we employed High‐Throughput Virtual Screening (HTVS) to screen antiviral compounds from the drug bank. Based on the docking score, two compounds were screened with respect to the selected target proteins. Subsequently, Molecular docking investigations were conducted for compound A and compound B concerning the main protease and ACE2 receptor, which yields favorable docking scores of −8.212 kcal/mol and −9.373 kcal/mol, respectively. Further molecular dynamics, DFT studies and ADMET parameters were carried out to understand the stability, reactivity, and toxicity profile of the screened compounds.