bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational modeling of the rectangular non-aligned multi-injector for efficient fuel mixing in a supersonic combustion chamber
Authors: Zhang Pan , Li Zhen , Abdollahi Seyyed Amirreza
Published: July 2024

The present investigation examines the usage of rectangular multi-injectors for fuel injection in a supersonic combustion chamber. To evaluate the fuel jet penetration and distribution, a computational method is applied to model the supersonic compressible flow with cross multi-fuel jets released from annular rectangular nozzles with different nozzle configurations. The main effort of this work is to evaluate the jet interactions in the existence of cross-supersonic flow. Fuel jet penetration and distribution are evaluated for three proposed injector arrangements to attain the more efficient option for better fuel mixing. Our results show that reducing injector space improves fuel mixing inside the combustor via creation of strong vortices. Beside, injection of air from internal nozzle increase fuel interactions and fuel mixing inside combustion chamber.
Motor inhibition errors and interference suppression errors differ systematically on neural and behavioural features of response monitoring
Authors: Porth Elisa , Mattes André , Stahl Jutta
Published: July 2024

Action inhibition and error commission are prominent in everyday life. Inhibition comprises at least two facets: motor inhibition and interference suppression. When motor inhibition fails, a strong response impulse cannot be inhibited. When interference suppression fails, we become distracted by irrelevant stimuli. We investigated the neural and behavioural similarities and differences between motor inhibition errors and interference suppression errors systematically from stimulus-onset to post-response adaptation. To enable a direct comparison between both error types, we developed a complex speeded choice task where we assessed the error types in two perceptually similar conditions. Comparing the error types along the processing stream showed that the P2, an early component in the event-related potential associated with sensory gating, is the first marker for differences between the two error types. Further error-specific variations were found for the parietal P3 (associated with context updating and attentional resource allocation), for the lateralized readiness potential (LRP, associated with primary motor cortex activity), and for the Pe (associated with error evidence accumulation). For motor inhibition errors, the P2, P3 and Pe tended to be enhanced compared to successful inhibition. The LRP for motor inhibition errors was marked by multiple small response impulses. For interference suppression errors, all components were more similar to those of successful inhibition. Together, these findings suggest that motor inhibition errors arise from a deficient early inhibitory process at the perceptual and motor level, and become more apparent than interference suppression errors, that arise from an impeded response selection process.
Scalable parameterized quantum circuits classifier
Authors: Ding Xiaodong , Song Zhihui , Xu Jinchen , Hou Yifan , Yang Tian , Shan Zheng
Published: July 2024

As a generalized quantum machine learning model, parameterized quantum circuits (PQC) have been found to perform poorly in terms of classification accuracy and model scalability for multi-category classification tasks. To address this issue, we propose a scalable parameterized quantum circuits classifier (SPQCC), which performs per-channel PQC and combines the measurements as the output of the trainable parameters of the classifier. By minimizing the cross-entropy loss through optimizing the trainable parameters of PQC, SPQCC leads to a fast convergence of the classifier. The parallel execution of identical PQCs on different quantum machines with the same structure and scale reduces the complexity of classifier design. Classification simulations performed on the MNIST Dataset show that the accuracy of our proposed classifier far exceeds that of other quantum classification algorithms, achieving the state-of-the-art simulation result and surpassing/reaching classical classifiers with a considerable number of trainable parameters. Our classifier demonstrates excellent scalability and classification performance.
Impact of an online reference system on the diagnosis of rare or atypical abdominal tumors and lesions
Authors: Woeltjen Matthias Michael , Niehoff Julius Henning , Saeed Saher , Mendorf Alexander , Roggel Ruth , Michael Arwed Elias , Surov Alexey , Moenninghoff Christoph , Borggrefe Jan , Kroeger Jan Robert
Published: July 2024

The purpose of the present study is to evaluate whether an online reference system (ORS, STATdx Elsevier, Amsterdam, Netherlands) impacts finding the histologically confirmed diagnosis of rare or atypical abdominal tumors and lesions in radiologic imaging. In total, 101 patients with rare tumor entities or lesions and atypical manifestations of common tumors were enrolled retrospectively. Blinded readings were performed by four radiologists with varying levels of experience, who reported on: (a) correct diagnosis (CD), (b) time needed to find the diagnosis, and (c) diagnostic confidence, initially without followed by the assistance of the ORS. The experienced reader (3 years of experience post-residency, CD 49.5%), as well as the advanced reader with 1 year of experience post-residency (CD 43.6%), and a resident with 5 years of experience (CD 46.5%) made the correct diagnosis more frequently compared to the less experienced reader (CD 25.7%). A significant improvement in making the correct diagnosis was only achieved by the advanced reader, the resident with 5 years of experience (CD with ORS 58.4%; p < 0.001). The advanced reader with 1 year of experience post-residency improved slightly (CD ORS 47.5%). The experienced reader (CD ORS 50.5%) and the less experienced reader (CD ORS 27.7%) did not improve significantly. The overall subjective confidence increased significantly when ORS was used (3.2 ± 0.9 vs. 3.8 ± 0.9; p < 0.001). While the ORS had a positive impact on making the correct diagnosis throughout all readers, it favored radiologists with more clinical experience rather than inexperienced residents. Moreover, the ORS increased the diagnostic confidence of all radiologists significantly. In conclusion, the ORS had no significant impact on the diagnosis of rare or atypical abdominal tumors and lesions except for one reader. The greatest benefit is the increase in diagnostic confidence.
Body part categorical matching in chimpanzees (Pan troglodytes)
Authors: Gao Jie , Adachi Ikuma
Published: July 2024

Humans categorize body parts, reflecting our knowledge about bodies, and this could be useful in higher-level activities involving bodies. We tested whether humans’ closest living relatives—chimpanzees—have the same ability using touchscreen tasks, focusing on the major parts: heads, torsos, arms, and legs. Six chimpanzees were trained to perform a body part matching-to-sample task using sets of pictures of chimpanzee bodies, where in each trial, the sample and choice pictures were the same. Five passed the training and received the test sessions, where three trial types were mixed: trained same-individual picture pairs; novel same-individual picture pairs; and novel different-individual picture pairs. All participants performed better than the chance level in all conditions and for all body parts. Further analyses showed differences in performance when the samples were different body parts. For example, the results revealed better performances for heads and torsos than arms and legs in “novel different-individual pairs”. The study showed that chimpanzees can visually match and categorize body parts in this experiment setting, even across different chimpanzees’ bodies, suggesting potential biological understanding. Different performances for body parts suggested a deviated categorization from humans. We hope this study will inspire future research on the evolution of body perception.
Unbiased analysis of spatial learning strategies in a modified Barnes maze using convolutional neural networks
Authors: Illouz Tomer , Ascher Lyn Alice Becker , Madar Ravit , Okun Eitan
Published: July 2024

Assessment of spatial learning abilities is central to behavioral neuroscience and a useful tool for animal model validation and drug development. However, biases introduced by the apparatus, environment, or experimentalist represent a critical challenge to the test validity. We have recently developed the Modified Barnes Maze (MBM) task, a spatial learning paradigm that overcomes inherent behavioral biases of animals in the classical Barnes maze. The specific combination of spatial strategies employed by mice is often considered representative of the level of cognitive resources used. Herein, we have developed a convolutional neural network-based classifier of exploration strategies in the MBM that can effectively provide researchers with enhanced insights into cognitive traits in mice. Following validation, we compared the learning performance of female and male C57BL/6J mice, as well as that of Ts65Dn mice, a model of Down syndrome, and 5xFAD mice, a model of Alzheimer’s disease. Male mice exhibited more effective navigation abilities than female mice, reflected in higher utilization of effective spatial search strategies. Compared to wildtype controls, Ts65Dn mice exhibited delayed usage of spatial strategies despite similar success rates in completing this spatial task. 5xFAD mice showed increased usage of non-spatial strategies such as Circling that corresponded to higher latency to reach the target and lower success rate. These data exemplify the need for deeper strategy classification tools in dissecting complex cognitive traits. In sum, we provide a machine-learning-based strategy classifier that extends our understanding of mice’s spatial learning capabilities while enabling a more accurate cognitive assessment.
Immunoinformatics and structural aided approach to develop multi-epitope based subunit vaccine against Mycobacterium tuberculosis
Authors: Sethi Guneswar , Varghese Rinku Polachirakkal , Lakra Avinash Kant , Nayak Subhashree Subhasmita , Krishna Ramadas , Hwang Jeong Ho
Published: July 2024

Tuberculosis is a highly contagious disease caused by Mycobacterium tuberculosis (Mtb), which is one of the prominent reasons for the death of millions worldwide. The bacterium has a substantially higher mortality rate than other bacterial diseases, and the rapid rise of drug-resistant strains only makes the situation more concerning. Currently, the only licensed vaccine BCG (Bacillus Calmette–Guérin) is ineffective in preventing adult pulmonary tuberculosis prophylaxis and latent tuberculosis re-activation. Therefore, there is a pressing need to find novel and safe vaccines that provide robust immune defense and have various applications. Vaccines that combine epitopes from multiple candidate proteins have been shown to boost immunity against Mtb infection. This study applies an immunoinformatic strategy to generate an adequate multi-epitope immunization against Mtb employing five antigenic proteins. Potential B-cell, cytotoxic T lymphocyte, and helper T lymphocyte epitopes were speculated from the intended proteins and coupled with 50 s ribosomal L7/L12 adjuvant, and the vaccine was constructed. The vaccine’s physicochemical profile demonstrates antigenic, soluble, and non-allergic. In the meantime, docking, molecular dynamics simulations, and essential dynamics analysis revealed that the multi-epitope vaccine structure interacted strongly with Toll-like receptors (TLR2 and TLR3). MM-PBSA analysis was performed to ascertain the system’s intermolecular binding free energies accurately. The immune simulation was applied to the vaccine to forecast its immunogenic profile. Finally, in silico cloning was used to validate the vaccine’s efficacy. The immunoinformatics analysis suggests the multi-epitope vaccine could induce specific immune responses, making it a potential candidate against Mtb. However, validation through the in-vivo study of the developed vaccine is essential to assess its efficacy and immunogenicity profile, which will assure active protection against Mtb.
Sparse transformer with local and seasonal adaptation for multivariate time series forecasting
Authors: Zhang Yifan , Wu Rui , Dascalu Sergiu M. , Harris Frederick C.
Published: July 2024

Transformers have achieved remarkable performance in multivariate time series(MTS) forecasting due to their capability to capture long-term dependencies. However, the canonical attention mechanism has two key limitations: (1) its quadratic time complexity limits the sequence length, and (2) it generates future values from the entire historical sequence. To address this, we propose a Dozer Attention mechanism consisting of three sparse components: (1) Local, each query exclusively attends to keys within a localized window of neighboring time steps. (2) Stride, enables each query to attend to keys at predefined intervals. (3) Vary, allows queries to selectively attend to keys from a subset of the historical sequence. Notably, the size of this subset dynamically expands as forecasting horizons extend. Those three components are designed to capture essential attributes of MTS data, including locality, seasonality, and global temporal dependencies. Additionally, we present the Dozerformer Framework, incorporating the Dozer Attention mechanism for the MTS forecasting task. We evaluated the proposed Dozerformer framework with recent state-of-the-art methods on nine benchmark datasets and confirmed its superior performance. The experimental results indicate that excluding a subset of historical time steps from the time series forecasting process does not compromise accuracy while significantly improving efficiency. Code is available at https://github.com/GRYGY1215/Dozerformer.
Effects of copper, and aluminium in ionic, and nanoparticulate form on growth rate and gene expression of Setaria italica seedlings
Authors: Kulasza Mateusz , Sielska Anna , Szenejko Magdalena , Soroka Marianna , Skuza Lidia
Published: July 2024

This study aims to determine the effects of copper, copper oxide nanoparticles, aluminium, and aluminium oxide nanoparticles on the growth rate and expression of ACT-1, CDPK, LIP, NFC, P5CR, P5CS, GR, and SiZIP1 genes in five days old seedling of Setaria italica ssp. maxima, cultivated in hydroponic culture. Depending on their concentration (ranging from 0.1 to 1.8 mg L−1), all tested substances had both stimulating and inhibiting effects on the growth rate of the seedlings. Copper and copper oxide-NPs had generally a stimulating effect whereas aluminium and aluminium oxide-NPs at first had a positive effect but in higher concentrations they inhibited the growth. Treating the seedlings with 0.4 mg L−1 of each tested toxicant was mostly stimulating to the expression of the genes and reduced the differences between the transcript levels of the coleoptiles and roots. Increasing concentrations of the tested substances had both stimulating and inhibiting effects on the expression levels of the genes. The highest expression levels were usually noted at concentrations between 0.4 and 1.0 mg/L of each metal and metal nanoparticle, except for SiZIP1, which had the highest transcript amount at 1.6 mg L−1 of Cu2+ and at 0.1–0.8 mg L−1 of CuO-NPs, and LIP and GR from the seedling treated with Al2O3-NPs at concentrations of 0.1 and 1.6 mg L−1, respectively.
Preparation of environmentally responsive PDA&DOX@LAC live drug carrier for synergistic tumor therapy
Authors: Liu Lu , Zhao Xuefen
Published: July 2024

The development of intelligent, environmentally responsive and biocompatible photothermal system holds significant importance for the photothermal combined therapy of tumors. In this study, inspired by Lactobacillus (LAC), we prepared a biomimetic nanoplatform PDA&DOX@LAC for tumor photothermal-chemotherapy by integrating the chemotherapeutic drug doxorubicin (DOX) with dopamine through oxidative polymerization to form polydopamine (PDA) on the surface of LAC. The PDA&DOX@LAC nanoplatform not only achieves precise and controlled release of DOX based on the slightly acidic microenvironment of tumor tissues, but also exhibits enzyme-like properties to alleviate tumor hypoxia. Under near-infrared light irradiation, it effectively induces photothermal ablation of tumor cells, enhances cellular uptake of DOX with increasing temperature, and thus efficiently inhibits tumor cell growth. Moreover, it is further confirmed in vivo experiments that photothermal therapy combined with PDA&DOX@LAC induces tumor cells apoptosis, releases tumor-associated antigens, which is engulfed by dendritic cells to activate cytotoxic T lymphocytes, thereby effectively suppressing tumor growth and prolonging the survival period of 4T1 tumor-bearing mice. Therefore, the PDA&DOX@LAC nanoplatform holds immense potential in precise tumor targeting as well as photothermal combined therapy and provides valuable insights and theoretical foundations for the development of novel tumor treatment strategies based on endogenous substances within the body.
The empirical effect of agricultural social services on pesticide inputs
Authors: Na Hui , Yan Xiumei , Xing Rui , Jiang Anyin
Published: July 2024

Agricultural social services (ASS) play an important role in improving the efficiency of agricultural operations, reducing agricultural production costs, and promoting sustainable agricultural development. Using data from the 2020 China Rural Revitalization Survey, this study analyzes the impact of ASS on reducing pesticide inputs. The results show: (1) ASS play a significantly positive role in reducing pesticide inputs. (2) Heterogeneity analyses show that ASS’ role in reducing pesticide inputs is stronger for farming households with small farms, which participate in cooperatives, and do not have members involved in non-farm employment than that for farming households with large farms, which do not participate in cooperatives, and have members involved in non-farm employment. (3) Mechanism analysis shows that ASS’ green perception and demonstration-led effects contribute to reducing pesticide inputs by 148.6% and 36.8%, respectively, at the 1% level. Finally, this study proposes relevant policy recommendations for promoting ASS, promoting the continuous operation of farmland, and encouraging farmers to participate in ASS.
Chromosomal abnormalities detected by chromosomal microarray analysis and pregnancy outcomes of 4211 fetuses with high-risk prenatal indications
Authors: Li Huafeng , Hu Juan , Wu Qingyu , Qiu Jigang , Zhang Li , Zhu Jinping
Published: July 2024

With the gradual liberalization of the three-child policy and the development of assisted reproductive technology in China, the number of women with high-risk pregnancies is gradually increasing. In this study, 4211 fetuses who underwent chromosomal microarray analysis (CMA) with high-risk prenatal indications were analysed. The results showed that the overall prenatal detection rate of CMA was 11.4% (480/4211), with detection rates of 5.82% (245/4211) for abnormal chromosome numbers and 5.58% (235/4211) for copy number variants. Additionally, the detection rates of clinically significant copy number variants were 3.78% (159/4211) and 1.8% (76/4211) for variants of uncertain significance. The detection rates of fetal chromosomal abnormalities were 6.42% (30/467) for pregnant women with advanced maternal age (AMA), 6.01% (50/832) for high-risk maternal serum screening (MSS) results, 39.09% (224/573) with abnormal non-invasive prenatal testing (NIPT) results, 9.21% (127/1379) with abnormal ultrasound results, and 5.1% (49/960) for other indications. Follow-up results were available for 4211 patients, including 3677 (3677/4211, 87.32%) whose infants were normal after birth, 462 (462/4211, 10.97%) who terminated their pregnancy, 51 (51/4211, 1.21%) whose infants were abnormal after birth, and 21 (21/4211, 0.50%) who refused follow-up. The results of this study demonstrate significant variation in the diagnostic rate of chromosomal microarray analysis across different indications, providing valuable guidance for clinicians to assess the applicability of CMA technology in prenatal diagnosis.
Mechanism insight into the conversion between COS and thiophene during CO2 gasification of carbon-based fuels
Authors: Xian Shengxian , Xie Ye , Xu Qing , Yang Zhisi , Li Haowei , Wu Yujian
Published: July 2024

Thiophene is the organic sulfur with good thermal stability in carbon-based fuel, clarifying the conversion mechanism between thiophene and COS is beneficial for achieving in-situ sulfur fixation during CO2 gasification of carbon-based fuels, but the mechanism has rarely been reported. Therefore, calculations based on density functional theory were performed and 16 reaction paths were proposed in this research, clarifying the decomposition mechanism of thiophene and re-fixation mechanism of COS. The attachment of CO2 will lead to the destruction of the thiophene ring and the generation of COS, and CO2 adsorption is the rate-determined step, while the carbon atom that adjacent sulfur atom is the reaction active site. However, the energy barriers of CO2 addition reactions are lower than those of CO2 adsorption reactions, and the energy barrier of reactions occurring on the aliphatics are lower than that occurring on the aromatics. The combination of CO2 and thiophene will thermodynamically lead to the generation of COS and CO. Moreover, gaseous sulfur generated from thiophene decomposition will be converted mutually, while H2S will not be converted into COS. Furthermore, COS will be captured by char, forming solid organic sulfur. The re-fixation of COS will occur on aliphatic chains from the decomposition of aromatics.
Spores of Clostridioides difficile are toxin delivery vehicles
Authors: Cassona Carolina P. , Ramalhete Sara , Amara Khira , Candela Thomas , Kansau Imad , Denève-Larrazet Cécile , Janoir-Jouveshomme Claire , Mota Luís Jaime , Dupuy Bruno , Serrano Mónica , Henriques Adriano O.
Published: July 2024

Clostridioides difficile causes a wide range of intestinal diseases through the action of two main cytotoxins, TcdA and TcdB. Ingested spores germinate in the intestine establishing a population of cells that produce toxins and spores. The pathogenicity locus, PaLoc, comprises several genes, including those coding for TcdA/B, for the holin-like TcdE protein, and for TcdR, an auto-regulatory RNA polymerase sigma factor essential for tcdA/B and tcdE expression. Here we show that tcdR, tcdA, tcdB and tcdE are expressed in a fraction of the sporulating cells, in either the whole sporangium or in the forespore. The whole sporangium pattern is due to protracted expression initiated in vegetative cells by σD, which primes the TcdR auto-regulatory loop. In contrast, the forespore-specific regulatory proteins σG and SpoVT control TcdR production and tcdA/tcdB and tcdE expression in this cell. We detected TcdA at the spore surface, and we show that wild type and ΔtcdA or ΔtcdB spores but not ΔtcdR or ΔtcdA/ΔtcdB spores are cytopathic against HT29 and Vero cells, indicating that spores may serve as toxin-delivery vehicles. Since the addition of TcdA and TcdB enhance binding of spores to epithelial cells, this effect may occur independently of toxin production by vegetative cells.
Multi-scale lidar measurements suggest miombo woodlands contain substantially more carbon than thought
Authors: Demol Miro , Aguilar-Amuchastegui Naikoa , Bernotaite Gabija , Disney Mathias , Duncanson Laura , Elmendorp Elise , Espejo Andres , Furey Allister , Hancock Steven , Hansen Johannes , Horsley Harold , Langa Sara , Liang Mengyu , Locke Annabel , Manjate Virgílio , Mapanga Francisco , Omidvar Hamidreza , Parsons Ashleigh , Peneva-Reed Elitsa , Perry Thomas , Puma Vilca Beisit L. , Rodríguez-Veiga Pedro , Sutcliffe Chloe , Upham Robin , de Walque Benoît , Burt Andrew
Published: July 2024

Miombo woodlands are integral to livelihoods across southern Africa, biodiversity in the region, and the global carbon cycle, making accurate and precise monitoring of their state and change essential. Here, we assembled a terrestrial and airborne lidar dataset covering 50 kha of intact and degraded miombo woodlands, and generated aboveground biomass estimates with low uncertainty via direct 3D measurements of forest structure. We found 1.71 ± 0.09 TgC was stored in aboveground biomass across this landscape, between 1.5 and 2.2 times more than the 0.79–1.14 TgC estimated by conventional methods. This difference is in part owing to the systematic underestimation of large trees by allometry. If these results were extrapolated across Africa’s miombo woodlands, their carbon stock would potentially require an upward revision of approximately 3.7 PgC, implying we currently underestimate their carbon sequestration and emissions potential, and disincentivise their protection and restoration.
Nature-inspired adhesive systems
Authors: Li Ming , Mao Anran , Guan Qingwen , Saiz Eduardo
Published: July 2024

This review systematically covering the topic from adhesion theory to fabrication and practical application of adhesives, spans from natural adhesive surfaces to artificial switchable adhesion surfaces.
Quality and efficiency assessment of five extracellular vesicle isolation methods using the resistive pulse sensing strategy
Authors: Yang Min , Guo Jia , Fang Le , Chen Ze , Liu Ying , Sun Zepeng , Pang Xin , Peng Yinghua
Published: July 2024

The NanoCoulter Counter provided reliable evidence for the assessment of different EVs isolation method, which contributed to the development of EV-based disease biomarkers and treatments.
A novel bi-layered asymmetric membrane incorporating demineralized dentin matrix accelerates tissue healing and bone regeneration in a rat skull defect model
Authors: Li Yan-Fei , Luo Qi-Pei , Yang Yu-Xin , Li An-Qi , Zhang Xin-Chun
Published: July 2024

We manufactured a novel bi-layered asymmetric guided bone regeneration (GBR) membrane that incorporates biodemineralized dentin matrix (DDM). Our results showed that the product exhibited remarkable biological safety and osteogenic activity in vivo.
Tuning molecular assembly behavior to amplify the sonodynamic activity of porphyrins for efficient antibacterial therapy
Authors: Wang Yunxia , Xu Yicheng , Zhang Rui , Li Jing , Cong Yujie , Li Ruipeng , Wang Xiaoyu , Shi Hu , Wang Shaowei , Feng Liheng
Published: July 2024

A new strategy to enhance molecular sonosensitivity is disclosed via tuning molecular assembly behavior, achieving highly efficient sonodynamic therapy of septic arthritis in a rat model.
Viewing 3D spatial biology with highly-multiplexed Raman imaging: from spectroscopy to biotechnology
Authors: Li Yingying , Sun Yuchen , Shi Lixue
Published: July 2024

Ultra-sensitive Raman imaging is an emerging platform for detecting biomarkers with scalable multiplexity. We review recent advances in highly-multiplexed Raman imaging and how they contribute to the technology revolution in 3D spatial biology.
Visual detection and efficient capture of hydrogen chloride and ammonia vapours by a sustainable dual emissive metal–organic framework
Authors: Dinda Susanta , Deb Sourav , Mahato Bidyadhar , Baitalik Sujoy , Ghoshal Debajyoti
Published: July 2024

Selective detection and significant sustainable capture of HCl and NH3 vapours with visible colour switching via dual emissive fluorescence alteration in a solid-state-ESIPT based MOF.
Bond breaking and making in mixed clusters of fullerene and coronene molecules induced by keV-ion impact
Authors: Florin Naemi , Domaracka Alicja , Rousseau Patrick , Gatchell Michael , Zettergren Henning
Published: July 2024

Bond-forming reactions induced in mixed clusters of coronene and C60 by energetic impact of argon ions are modeled using molecular dynamics simulations. A wide range of reaction products and growth mechanisms are identified.
Identification of novel LRRK2 inhibitors by structure-based virtual screening and alchemical free energy calculation
Authors: Tan Shuoyan , Gong Xiaoqing , Liu Huanxiang , Yao Xiaojun
Published: July 2024

Structurally guided virtual screening and alchemical free energy calculations identify LY2023-001 as a novel and potent LRRK2 inhibitor.
Functionalized 2D membranes for separations at the 1-nm scale
Authors: Kang Yuan , Wang Yuqi , Zhang Hao , Wang Zhouyou , Zhang Xiwang , Wang Huanting
Published: July 2024

Functionalization strategies, intermolecular forces, enhanced membrane performance, and future directions in two-dimensional-based membrane design are reviewed for diverse separation applications.
Power generation density boost of bifacial tandem solar cells revealed by high throughput optoelectrical modelling
Authors: Tang Jiahong , Xue Junfeng , Xu Huaiwang , Li Yujing , Lin Shuping , Li Boyan , Zhong Dalong , Li Gang , Jiang Yan , Chen Qi
Published: July 2024

A high-throughput optoelectrical simulation method is developed to reveal the energy yield of bifacial perovskite/Cu(In,Ga)Se2 tandem solar cells.
Effects of copper on chemical kinetics and brown carbon formation in the aqueous ˙OH oxidation of phenolic compounds
Authors: Yang Junwei , Zhou Tianye , Lyu Yuting , Go Brix Raphael , Lam Jason Chun-Ho , Chan Chak K. , Nah Theodora
Published: July 2024

Many phenolic compounds (PhCs) can partition into atmospheric aqueous phases (e.g., cloud/fog water and aqueous aerosols) and react to form secondary organic aerosols (SOAs) and brown carbon (BrC).
Efficient and effective removal of toluene from aqueous solution using MIL-100(Fe)
Authors: Flores Catalina V. , Obeso Juan L. , Viltres Herlys , Peralta Ricardo A. , Ibarra Ilich A. , Leyva Carolina
Published: July 2024

The MIL-100(Fe) was used for toluene remediation through adsorption from water.
Progress in the synthesis of carbon aerogels for advanced energy storage applications
Authors: Shen Yafei , Yang Jinbei
Published: July 2024

The syntheses of resin- and renewable biomass-derived carbon aerogels for application in supercapacitors and rechargeable batteries are reviewed to understand the relationship between their structural chemistry and electrochemical performances.
Early detection of hypo/hyperglycemia using a microneedle electrode array-based biosensor for glucose ultrasensitive monitoring in interstitial fluid
Authors: Tawakey Samar H. , Mansour Mohammad , Soltan Ahmed , Salim Alyaa I.
Published: July 2024

A fully integrated, high-precision, wearable electrochemical microneedle sensing device that works with a customized smartphone application to wirelessly and in real-time monitor glucose of hypo/hyperglycemia in human ISF.
Controlling conjugated polymer morphology by precise oxygen position in single-ether side chains
Authors: Durand Pablo , Zeng Huiyan , Jismy Badr , Boyron Olivier , Heinrich Benoît , Herrmann Laurent , Bardagot Olivier , Moutsios Ioannis , Mariasevskaia Alina V. , Melnikov Alexey P. , Ivanov Dimitri A. , Brinkmann Martin , Leclerc Nicolas
Published: July 2024

Single-ether side chains allow modulation of the oxygen position. The further the oxygen atom is from the backbone, the more crystalline the polymer. High doping levels and ordering lead to remarkable conductivities and thermoelectric performances.
Synergistically enhanced discharged energy density and efficiency achieved in designed polyetherimide-based composites via asymmetrical interlayer structure induced optimized interface effectiveness
Authors: Zhang Yongjing , Lin Ying , Ma Yanlong , Yuan Qibin , Yang Haibo
Published: July 2024

Optimized interface effectiveness in asymmetrical interlayer structure polyetherimide-based composite films leads to advanced energy storage performance.
Synthesis of diaminoacetylene from cyanido ligands of the octacyanidotungstate complex
Authors: Szklarzewicz Janusz , Hodorowicz Maciej , Jurowska Anna
Published: July 2024

First metal-asisted diaminoacetylene molecule synthesis is achieved. Three salts of [W(CN)6(C2N2H4)]2− ion were isolated and characterized including single crystal structure determination. The formation of diaminoacetylene is described and discussed.
Development of boronic acid catalysts for direct amidation of aromatic carboxylic acids using fluorescence-based screening
Authors: Ryoo Jeong Yup , Han Min Su
Published: July 2024

Boronic acid catalysts for direct amidation were rapidly evaluated using fluorescence-based screening, achieving yields up to 98% with the most effective catalyst among them.
Highly efficient esterification of carboxylic acids with O–H nucleophiles through acid/iodide cooperative catalysis
Authors: Zuo Dongxu , Xiao Xiong , Ma Xinyue , Nie Peng , Liu Long , Chen Tieqiao
Published: July 2024

A highly efficient esterification of carboxylic acids with a wide range of equivalent O–H nucleophiles is achieved using acid/iodide cooperative catalysis.
Organocatalytic hydrogen bond donor/Lewis base (HBD/LB) synthesis and chiroptical properties of thiabridged [5]helicenes
Authors: Lupi Michela , Fabbri Mosè , Mazzeo Giuseppe , Longhi Giovanna , Abbate Sergio , Viglianisi Caterina , Menichetti Stefano
Published: July 2024

A series of thiabridged [5]helicenes with exceptional configurational stability are obtained via organocatalysis. The optical and CSP-HPLC resolution are reported and the chiroptical properties studied.
Electrochemical oxidative selective halogenation of pyrazolones for the synthesis of 4-halopyrazolones
Authors: Li Minghan , Yang Shilin , Zhang Jingyi , Gao Zixun , Zheng Linyu , Lu Fangling , Feng Yulin
Published: July 2024

An efficient and environmentally friendly electrochemical oxidative selective halogenation of pyrazolones has been developed under conditions free of metals, external oxidants, and external supporting electrolytes.
Oxygen-tolerant, eosin Y mediated synthesis of protein–polymer biohybrids and protein-coated polymer nanoparticles
Authors: Voutyritsa Errika , Lazou Thomai , Bushi Jonida , Margaritaki Stavroula , Charitaki Myrto , Christensen Sune M. , Hatzakis Nikos S. , Velonia Kelly
Published: July 2024

An oxygen tolerant, eosin Y/TEMED mediated, photoinduced polymerization approach was optimized to graft hydrophobic, hydrophilic, and responsive polymers from protein macroinitiators, avoiding conventional metal catalysts.
Solution blow spinning of elastic 3D complex ZrO2@mullite nanofibrous aerogels toward customized thermal insulation
Authors: Zhang Wenlu , Bao Mengzhe , Chen Mengyao , Li Wenbin , Xu Weilin , He Chong
Published: July 2024

High-performance aerogel materials hold significant potential for thermal management applications.
Thermoelectric performance of organic conductors
Authors: Mori Takehiko
Published: July 2024

Organic conductor Cu(DMDCNQI)2 exhibits a very large thermoelectric power factor at low temperatures.
Copper-catalyzed allenynylative C–P coupling of diynylic acetates with hydrophosphoryl compounds leading to phosphorylated allenynes
Authors: Liu Shaoqing , Yin Kaixin , Fan Yishuai , Han Li-Biao , Shen Ruwei
Published: July 2024

A copper-catalyzed allenynylative C–P coupling reaction between diynylic acetates and hydrophosphoryl compounds is developed via nucleophilic interception of copper-cumulenylidene intermediates.
Capabilities and limitations of Pb, Sr and Fe isotopic analysis of iron-rich slags: a case study on the medieval port at Hoeke (Belgium)
Authors: Biernacka Paulina , Costas-Rodríguez Marta , De Clercq Wim , Dewaele Stijn , De Grave Johan , Vanhaecke Frank
Published: July 2024

An analytical approach was developed for Pb, Sr, and Fe isotopic analysis of archaeological samples recovered from an iron work site by using multi-collector inductively coupled plasma – mass spectrometry (MC-ICP-MS).
Cl alloying improves thermal stability and increases luminescence in iodine-rich inorganic perovskites
Authors: Cakan Deniz N. , Dolan Connor J. , Oberholtz Eric , Kodur Moses , Palmer Jack R. , Vossler Hendrik M. , Luo Yanqi , Kumar Rishi E. , Zhou Tao , Cai Zhonghou , Lai Barry , Holt Martin V. , Dunfield Sean P. , Fenning David P.
Published: July 2024

Phase stability and the optoelectronic performance of the metastable CsPbI3 host can be improved with triple-halide alloying, without excessive Br addition which widens the gap beyond that ideal for tandem-photovoltaics.
Greener solvents for the processing of preceramic polycarbosilane: application in the preparation of B4C/SiC composites
Authors: Weissenberger Marion , Vincent Adrien , Champavier Yves , Diogo Cristina Coelho , Babonneau Florence , Pradeilles Nicolas , Maître Alexandre , Lucas-Roper Romain
Published: July 2024

Greener solvents for ceramic precursors leading to hybrid materials for high-performance applications.
Fragment-based approach to study fungicide-biomimetic membrane interactions
Authors: Jaikishan Shishir , Lavainne Marine , Ravald Henri K. , Scobbie Kieran , Dusa Filip , Maheswari Rekha , Turpeinen Jenni , Eikemans Ian , Chen Rui , Rantala Julia , Aseyev Vladimir , Maier Norbert N. , Wiedmer Susanne K.
Published: July 2024

Molecular interactions of the allylamine-type fungicide butenafine and a set of substructures with biomimetic liposomes were studied to gain a better understanding of the structural factors governing membrane affinity and perturbation.
A ZIF-67 derived NiCo-LDH nanosheet–nanourchin 3D hierarchical nanostructure for high-performance supercapacitors
Authors: Zhou Hongtao , Sha Xuefeng , Zeng Fan , Wu Xueli , Yu Minghao , Shi Zhidan , Zhang Xingang , Song Xianyin , Jiang Changzhong
Published: July 2024

A ZIF-67 derived NiCo-LDH nanosheet–nanourchin 3D hierarchical nanostructure is fabricated. This structure promotes full exposure of redox active sites, facilitates charge transfer and reaction kinetics, and boosts pseudocapacitive performance.
Synergistic improvements in the processability and mechanical properties of cyanate esters via aminobenzonitrile-induced chemical tailoring
Authors: Jiang Jun , Tao Xiaofang , Yang Tao , Chen Dingding , Yin Changping , Xing Suli , Tang Jun
Published: July 2024

Aminobenzonitrile homologues (ABNx), acting as both cross-linkers and catalysts, synergistically enhance the processability and mechanical properties of cyanate ester resins.
Ultra-temperature and high thermal stability thermosensitive high-entropy ceramics up to 1873 K
Authors: Liu Yafei , Sun Hao , Wu Ruifeng , Chang Aimin , Zhang Bo
Published: July 2024

The problem of stability degradation is solved by adjusting the lattice distortion, resulting in ceramics with the highest ceiling temperature and excellent thermal stability.
Catalyst architecture for metal–support interactions and its effects on heterogeneous reactions
Authors: Yang Bin , Chen Xiaochen , Guo Limin , Zhang Lingxia
Published: July 2024

Metal nanoparticles supported on various metal oxides play vital roles in numerous industrial catalytic reactions.
A focused ion beam-fabricated high-performance electrodeposited nickel–ruthenium–ruthenium oxide nano-supercapacitor
Authors: Biswas Sudipta , Morag Ahiud , Shauloff Nitzan , Maman Nitzan , Jelinek Raz
Published: July 2024

Supercapacitor miniaturization is highly sought after due to the considerable demand for portable, flexible, and wearable microscale electronics.
Research progress on zinc oxide-based heterojunction photocatalysts
Authors: Liu Jiajia , Wang Huichao , Wu Hongjing , Yang Yuquan , Wang Chenjing , Wang Qian , Jia Binbin , Zheng Jinlong
Published: July 2024

This article reviews the different applications of ZnO-based heterojunction photocatalysts and discusses the strategies for improving their photocatalytic performance.
PI3K/AKT/mTOR signaling regulates BCP ceramic-induced osteogenesis
Authors: Tan Peijie , Hua Yuchen , Yuan Bo , Liu Xiaoyang , Chen Xuening , Zeng Wei-Nan , Zeng Qin , Zhu Xiangdong , Zhang Xingdong
Published: July 2024

BCP ceramics regulate PI3K/AKT/mTOR signaling for cell proliferation and osteogenic gene expression of BMSCs in vitro and new ectopic bone formation in the implanted ceramics in mice.
Progress of Ce3+/Eu2+ doped phosphors for violet chip based full-spectra lighting
Authors: Dou Chao , Song Zhen , Liu Quanlin
Published: July 2024

The research progress of Ce3+/Eu2+ doped phosphors that can be excited by violet light, including the structural models, composition regulation, and spectral tuning, is summarized.
Correction: How to tune luminescent Cu(i) complexes with strong donor carbenes towards TADF?
Authors: Guhl Jasper , Sretenović Dragana , Schmeinck Philipp , Felekyan Suren , Kühnemuth Ralf , Ganter Christian , Seidel Claus A. M. , Marian Christel M. , Suta Markus
Published: July 2024

Correction for ‘How to tune luminescent Cu(i) complexes with strong donor carbenes towards TADF?’ by Jasper Guhl et al., J. Mater. Chem. C, 2024, https://doi.org/10.1039/D4TC01487A.
Exploring sustainable adsorbents to mitigate micro-/nano-plastic contamination: perspectives on electrospun fibrous constructs, biochar, and aerogels
Authors: Das Krishna Priyadarshini , Chauhan Pooja , Staudinger Ulrike , Satapathy Bhabani K.
Published: July 2024

A schematic representation showing the exploration of the limitations of conventional MNP removal techniques, highlighting the potential of biochar, electrospun fibrous constructs, and aerogels as sustainable and effective solutions for MNP removal.
Amino acids biosynthesis in root hair development: a mini-review
Authors: Montiel Jesús , Dubrovsky Joseph G.
Published: July 2024

Metabolic factors are essential for developmental biology of an organism. In plants, roots fulfill important functions, in part due to the development of specific epidermal cells, called hair cells that form root hairs (RHs) responsible for water and mineral uptake. RH development consists in (a) patterning processes involved in formation of hair and non-hair cells developed from trichoblasts and atrichoblasts; (b) RH initiation; and (c) apical (tip) growth of the RH. Here we review how these processes depend on pools of different amino acids and what is known about RH phenotypes of mutants disrupted in amino acid biosynthesis. This analysis shows that some amino acids, particularly aromatic ones, are required for RH apical (tip) growth, and that not much is known about the role of amino acids at earlier stages of RH formation. We also address the role of amino acids in rhizosphere, inhibitory and stimulating effects of amino acids on RH growth, amino acids as N source in plant nutrition, and amino acid transporters and their expression in the RHs. Amino acids form conjugates with auxin, a hormone essential for RH growth, and respective genes are overviewed. Finally, we outline missing links and envision some perspectives in the field.
Complex‐step derivative‐based extended Kalman filter for state estimation in twin rotor MIMO system
Authors: Mucuk İbrahim , Özdemir Ayhan
Published: July 2024

This paper presents the design of a complex‐step extended Kalman filter (CS‐EKF) to estimate the states of the twin‐rotor MIMO system (TRMS) which is a non‐linear system. Since the model of TRMS is quite complex and contains discontinuous functions, it is very difficult to calculate the Jacobian matrix in the TRMS analytically by hand. This makes it difficult to implement control methods that require Jacobian matrix calculation for TRMS. Herein, to calculate the Jacobian matrix, the CS‐EKF uses the complex‐step derivative approach, which is a numerical technique and offers near‐analytical accuracy in a single function evaluation. The effectiveness of the CS‐EKF is demonstrated through simulation and real‐time experiments. Also, The CS‐EKF is compared to the finite‐difference extended Kalman filter (FD‐EKF) and the unscented Kalman filter (UKF) in terms of estimation accuracy, computational load, and ease of implementation.
A compensation method for PMSM sensorless control with parameter identification considering SMO observation error
Authors: Guan Ruizhi , Liu Jinglin , Li Mengqi , Xiao Minglang , Shi Xinran
Published: July 2024

Sensorless control of permanent magnet synchronous motor (PMSM) can increase the reliability of electric actuators of more electrical aircraft. Numerical online parameter estimation method will enhance the performance for sensorless control methods based on sliding mode observer (SMO). However, numerical online parameter identification methods typically assume zero rotor position estimation error to ensure full rank of the identification equation set. This assumption actually leads to errors in parameter identification, resulting in steady‐state errors in rotor position estimation. This paper focuses on a compensation method for PMSM online parameter identification that takes into account rotor position estimation error. This method is used for sensorless control based on SMO, using model reference adaptive systems for online parameter identification, and no additional parameter adjustment required. Validation is conducted on a PMSM experimental platform with maximum load of 15kW. The experimental results of 1000 r/min steady state operation proved the effectiveness of the method, and the dynamic experiments with 5 and 15kW loads proved that the method has no significant adverse effect on the system dynamics.
Learning neural implicit surfaces with local probability standard variance
Authors: Nan Hai , Zhao Kai , Han Xuefei , Zhao Dongjie
Published: July 2024

Reconstructing geometric shapes from sparse multiview has always been a challenging task. With the development of neural implicit surfaces, geometry‐based volume rendering surface reconstruction methods have been proven to be able to reconstruct high‐quality surfaces. However, existing geometry‐based reconstruction methods completely associate volume density with signed distance function or unsigned distance function, resulting in the same volume density peak that can only be reconstructed near the object surface. When there are transparent surfaces in the scene, existing methods prioritize the reconstruction of opaque surfaces, neglecting the reconstruction of transparent surfaces, which is disadvantageous when reconstructing real scenes. To solve this problem, we introduce local probability standard variance, which calculates volume density together with signed distance function. In this way, it can reconstruct the volume density that matches the transparency characteristics of the object surface. The method can reconstruct the surface of transparent objects, and experiments on two transparent surface datasets show that the method performs better.