bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chiral‐at‐Metal Racemization Unraveled for MX2(a‐chel)2 by means of a Computational Analysis of MoO2(acnac)2
Authors: Dhimba George , Muller Alfred , Lammertsma Koop 
Published: September 2023

AbstractOctahedral chiral‐at‐metal complexes MX2(a‐chel)2 (a‐chel=asymmetric chelate) can rearrange their ligands by four mechanisms known as the Bailar (B), Ray‐Dutt (RD), Conte‐Hippler (CH), and Dhimba‐Muller‐Lammertsma (DML) twists. Racemization involves their interconnections, which were computed for MoO2(acnac)2 (acnac=β‐ketoiminate) using density functional theory at ωB97x‐D with the 6‐31G(d,p) and 6‐311G(2d,p) basis sets and LANL2DZ for molybdenum. Racemizing the cis(NN) isomer, being the global energy minimum with trans oriented imine groups, is a three step process (DML‐CH‐DML) that requires 17.4 kcal/mol, while all three cis isomers (cis(NN), cis(NO), and cis(OO)) interconvert at ≤17.9 kcal/mol. The B and RD twists are energetically not competitive and neither are the trans isomers. The interconnection of all enantiomeric minima and transition structures is summarized in a graph that also visualizes valley ridge inflection points for two of the three CH twists. Geometrical features of the minima and twists are given. Lastly, the influence of N‐substitution on the favored racemization pathway is evaluated. The present comprehensive study serves as a template for designing chiral‐at‐metal MX2(a‐chel)2 catalysts that may retain their chiral integrity.
Modern Potentiometric Biosensing Based on Non‐Equilibrium Measurement Techniques
Authors: Mou Junsong , Ding Jiawang , Qin Wei 
Published: September 2023

AbstractModern potentiometric sensors based on polymeric membrane ion‐selective electrodes (ISEs) have achieved new breakthroughs in sensitivity, selectivity, and stability and have extended applications in environmental surveillance, medical diagnostics, and industrial analysis. Moreover, nonclassical potentiometry shows promise for many applications and opens up new opportunities for potentiometric biosensing. Here, we aim to provide a concept to summarize advances over the past decade in the development of potentiometric biosensors with polymeric membrane ISEs. This Concept article articulates sensing mechanisms based on non‐equilibrium measurement techniques. In particular, we emphasize new trends in potentiometric biosensing based on attractive dynamic approaches. Representative examples are selected to illustrate key applications under zero‐current conditions and stimulus‐controlled modes. More importantly, fruitful information obtained from non‐equilibrium measurements with dynamic responses can be useful for artificial intelligence (AI). The combination of ISEs with advanced AI techniques for effective data processing is also discussed. We hope that this Concept will illustrate the great possibilities offered by non‐equilibrium measurement techniques and AI in potentiometric biosensing and encourage further innovations in this exciting field.
Diversification of the Carbodicarbene Class by Embedding an Anionic Component in its Scaffold
Authors: Yu Cheng‐Han , Au‐Yeung Ka‐Chun , Liu Ruiqin , Lee Chao‐Hsien , Jiang Dandan , Semagne Aweke Bamlaku , Wu Chia‐Hung , Wang Yu‐Jou , Wang Ting‐Hsuan , Voon Kong Kien , Yap Glenn P. A. , Chen Wen‐Ching , Frenking Gernot , Zhao Lili , Ong Tiow‐Gan 
Published: September 2023

AbstractCarbodicarbene (CDC) has become an emerging ligand in many fields due to its strong σ‐donating ability. <We report the first synthesis of the anionic CDC Pd complexes containing a BF2‐ moiety within the framework to leverage the electronic feature of carbon carbone. The elucidation of X‐ray crystal structures, ligand competition as well as transmetallation experiments suggest that the anionic moiety has enhanced the overall donor strength of the traditional neutral CDC. Importantly, this anionic scaffold exhibits a facile second coordination toward Au(I), Ag(I) and Pd(II) without any external ligand assistance, whereas previously reported neutral pincer CDC complexes do not possess a two‐fold donor capacity. The analysis of the bonding situation via theoretical methods shows that the description of the anionic CDC moieties in terms of dative bonding is preferred over the model of delocalized positive charge, as it accounts for the two‐fold donor ability of the divalent carbon atom, preserving a characteristic feature of a carbone.
Ag‐Doped Free‐Standing 2D TiO2 Sheets: Electronic, Optical, Magnetic, and Self‐Healing Behaviour
Authors: Pradhan Itishree , Mahapatra Anwesha , Bandyopadhyay Arkamita , Nayak Alpana , Kumar Prashant 
Published: September 2023

AbstractBeyond a critical doping level, Ag–2D TiO2 sheets (ATO) are deemed to be a flexible transparent conductor, useful for visible‐range functional photonic/optoelectronic devices/sensors, sunlight‐sensitive catalysis, and light‐activated resistive switching. Due to the lack of control of surface energy which often leads to the formation of structural defects and even dimensionality crossover (2D to 0D) of materials during doping reaction, it is challenging to obtain ATO with a controlled doping level. Gauging the urgency, therefore we report the surface energy‐controlled synthesis of ATO employing liquid phase exfoliation of TiO2 and subsequent hydrothermal Ag‐doping in the presence of Hexamethylenetetramine (HMTA). Electron microscopy and atomic force microscopy reveal ATO sheets with large lateral dimensions. 6‐fold, 4‐fold, and strain‐mediated crystallographic phases of 2D ATO have been revealed by high‐resolution electron imaging. Successful tuning of the band gap down to ~2 eV with Ag doping up to ~10 % is obtained. Synthesized 2D ATO have been investigated for their electrical, optical, optoelectronic, photoluminescence, and ferromagnetic behaviour. Visible light‐sensitive thermally/structurally robust semiconductor/conductor via tuneable doping will pave the way for their flexible as well as wearable device applications. Self‐healing effect of AFM tip‐generated mechanical stress has also been demonstrated.
Single‐stage triple‐output Cuk power factor correction converter
Authors: Yan Tiesheng , Wen Hao , Xia Haogang , Tao Quanbao , Zhou Guohua 
Published: September 2023

SummaryTraditional multiple‐output AC‐DC power supply with power factor correction (PFC) function usually employs a two‐stage cascaded topology that is composed of prestage PFC converter and N independent poststage DC‐DC converters to achieve PFC and voltage or current regulation of N outputs. Hence, the conventional two‐stage cascaded multiple‐output AC‐DC power supply needs N + 1 magnetic components as power inductors or transformers and N + 1 controllers, which increases the cost and size of the multioutput converters. The conventional multiple‐string AC‐DC LED driving circuits usually employ a two‐stage topology to realize PFC and independent current regulation of each LED string. To address the issue of complexity, high cost, and large size of the two‐stage multistring LED driving circuit, a single‐stage triple‐output Cuk PFC converter is proposed by cascading boost converter and single‐inductor triple‐output buck converter with sharing main power switch in this paper. The topology operation principle, control strategy, design consideration, and operation characteristics of the proposed circuit are investigated in detail. With the switch sharing and inductor multiplexing technologies at the same time, the proposed converter utilizes only single‐stage converter to achieve PFC function, independent regulation of triple‐channel output current, and flicker‐free with low twice line frequency LED current ripple. The proposed converter is verified by a 50‐W experimental prototype of LED driver for triple string LEDs. The proposed converter only uses two power inductors and a set of controller to achieve greater than 0.945 PF, up to 90.5% efficiency, low LED current ripple, and independent current regulation for triple LED strings with different forward voltage, which may significantly reduce the cost and size of the traditional AC‐DC multistring LED driving circuit.
Correlations of the root–shoot ratio with soil water content in the patchy alpine grassland of the north‐eastern Qinghai–Tibetan Plateau using electrical resistivity tomography
Authors: Zuo Fenglin , Li Xiaoyan , Yang Xiaofan , Jiang Zhiyun , Li Zhongkai , Wang Yang 
Published: September 2023

AbstractThe root–shoot biomass ratio (R:S) changing the soil water redistribution is not well understood due to a lack of nondestructive technology to characterize the coexistence of plants and soil. This study aims to assess the correlations of the R:S ratios of Achnatherum splendens with soil water content by electrical resistivity tomography (ERT) on the north‐western Qinghai–Tibet Plateau (QTP). During the growing season, an experimental plot including bare patches (BK) and low‐ (LD) and high‐density (HD) A. splendens subplots was designed to quantify soil volumetric water content under different soil depths and antecedent total precipitation conditions for 7 days (AP7). The results showed that the R:S ratio was positive with soil water content in the surface soil layer of 0–10 cm. The synergistic effect of the R:S ratio on soil water in the surface soil layer promoted an increase in surface soil water. However, the nonsynergistic effect in the middle soil layer weakened the soil water increasing, and the effect of the R:S ratio on soil water in the deep soil layer of 40–80 cm was not obvious. In HD, soil water increased between 0.08% and 0.95% and was highest under AP7 > 20 mm conditions. In LD, soil water increased in the surface and deep soil layers but decreased in the middle soil layer, especially under AP7 = 10–20 mm conditions (−1.23%). These findings provide valuable insights that patchy alpine grass survival strategy under future climate change on the QTP, and the results are beneficial to the development of soil–plant–atmosphere continuum models.
Conduction system pacing and atrioventricular node ablation in heart failure: The PACE‐FIB study design
Authors: Rodríguez Muñoz Daniel , Crespo‐Leiro María Generosa , Fernández Lozano Ignacio , Zamorano Gómez José Luis , Peinado Peinado Rafael , Manzano Espinosa Luis , de Juan Bagudá Javier , Marco del Castillo Álvaro , Arribas Ynsaurriaga Fernando , Salguero Bodes Rafael 
Published: September 2023

AbstractAimsAtrial fibrillation (AF) worsens the prognosis of patients with heart failure (HF). Successful treatments are still very scarce for those with permanent AF and preserved (HFpEF) or mildly reduced (HFmrEF) ejection fraction. In this study, the long‐term benefits and safety profile of heart rate regularization through left‐bundle branch pacing (LBBP) and atrioventricular node ablation (AVNA) will be explored in comparison with pharmacological rate‐control strategy.Methods and resultsThe PACE‐FIB trial is a multicentre, prospective, open‐label, randomized (1:1) clinical study that will take place between March 2022 and February 2027. A total of 334 patients with HFpEF/HFmrEF and permanent AF will receive either LBBP followed by AVNA (intervention arm) or optimal pharmacological treatment for heart rate control according to European guideline recommendations (control arm). All patients will be followed up for a minimum of 36 months. The primary outcome measure will be the composite of all‐cause mortality, HF hospitalization, and worsening HF at 36 months. Other secondary efficacy and safety outcome measures such as echocardiographic parameters, functional status, and treatment‐related adverse events, among others, will be analysed too.ConclusionLBBP is a promising stimulation mode that may foster the clinical benefit of heart rate regularization through AV node ablation compared with pharmacological rate control. This is the first randomized trial specifically addressing the long‐term efficacy and safety of this pace‐and‐ablate strategy in patients with HFpEF/HFmrEF and permanent AF.
Photoelectrochemical immunoassay of carcinoembryonic antigen based on hollow In2O3/In2S3 nanocolumn
Authors: Zhang Zhishan , Cai Fan , Wu Shijia , Luo Shimu , Lin Yao , Zheng Tingjin 
Published: September 2023

AbstractThis work presents a split‐type photoelectrochemical (PEC) immunoassay platform for ultrasensitive determination carcinoembryonic antigen (CEA) using In2O3/In2S3 nanocolumn as the photoactive matrix. Initially, In2O3/In2S3 nanocolumn with high photocurrent response was obtained by vulcanizing metal‐organic framework‐derived hollow In2O3 nanomaterials for surface modification. Subsequently, sandwich immunoreactions were conducted utilizing an alkaline phosphatase‐labeled secondary antibody that served as a signal pointer. A large amount of ascorbic acid was produced by the biocatalytic reaction, which enhanced the anodic photocurrent of the In2O3/In2S3 nanocolumn‐modified electrode. Under optimized conditions, the In2O3/In2S3 nanocolumn‐based PEC immunoassay exhibited a promising photocurrent response to the target CEA in the operational scope of 0.02 ng/mL to 10 ng/mL, with a limit of detection of 8.4 pg/mL. Benefiting from the excellent photoelectrochemical response of In2O3/In2S3 nanocolumn to ascorbic acid and the separated detection operation, the constructed PEC immunosensing platform has the advantages of great precision and strong anti‐jamming capability, and the detection results are comparable to those of commercial ELISA kits. Collectively, this study not only offered an efficacious semiconducting surface modification strategy to enhance photocurrent response activity, but also offered a novel thought for the sensitive measurement of a marker of cancer.
Gravity‐based focusing and size‐dependent separation of metal microparticles in lubricating oil
Authors: Gan Chong‐Shan , Fan Liang‐Liang , Zhao Liang 
Published: September 2023

AbstractThe separation of wear microparticles in lubricating oil is crucial for improving the accuracy and throughput of the subsequent detection. However, there are few kinds of research on the separation of high‐density metallic microparticles in high‐viscosity lubricating oil. In this paper, a passive method for separating the metallic microparticles in oil is proposed. Gravity sedimentation was adopted to realize three‐dimensional (3D) focusing of the particle by using an inclined capillary. The gravity‐based 3D focusing made the sheath flow no longer responsible for the particle focusing and effectively reduced the sheath flow. Then, the separation of different‐sized metallic microparticles was achieved in a horizontal channel with the aid of a sheath flow based on the different driving forces. The present method solved the problem of nonsynchronous separation of the particle in comparison to the traditional methods. This device has a simple structure with high separation efficiency, and it is easy to integrate with the detection channel. The influence of numerous parameters on the gravity‐based focusing and separation was systematically studied by the numerical simulation and the experiment. The design criteria were established, which is useful in designing and employing the device, expanding its application to other non‐neutral buoyancy particle separation cases, and opening up more prospects for microfluidic technology.
Physics symbolic learner for discovering ground‐motion models via NGA‐West2 database
Authors: Chen Su , Liu Xianwei , Fu Lei , Wang Suyang , Zhang Bin , Li Xiaojun 
Published: September 2023

AbstractGround‐motion model (GMM) is the basis of many earthquake engineering studies and practices. In this study, a novel physics‐informed symbolic learner (PISL) method is proposed to automatically discover mathematical equation operators as symbols. The sequential threshold ridge regression algorithm is utilized to distill a concise and interpretable explicit characterization of complex systems of ground‐motions. In addition to the basic variables retrieved from previous GMMs, the current PISL incorporates three priori physical conditions, namely, distance, magnitude, and site amplification saturation. Based on the Next Generation Attenuation West2 database, GMMs developed using the PISL, an empirical regression method (ERM), and an artificial neural network (ANN) are compared in terms of residuals and extrapolation of peak ground acceleration and velocity. The results show that the inter‐ and intra‐event standard deviations of the three methods are similar. The functional form of the PISL is more concise than that of the ERM and ANN. The extrapolation capability of the PISL is more accurate than that of the ANN. The PISL‐GMM used in this study provide a new paradigm of regression that considers both physical‐ and data‐driven machine learning and can be used to identify the implied physical relationships and prediction equations of ground‐motion variables.
Recent trends in metal‐organic frameworks mediated lipase immobilization: A state‐of‐the‐art review
Authors: Patil Prasanna J. , Dong Xiaoxiao , Usman Muhammad , Bhambore Nandini R. , Shah Haroon , Zhang Chengnan , Li Xiuting 
Published: September 2023

AbstractImmobilized lipase is a powerful biocatalytic system with numerous applications in industries, particularly in the energy, pharmaceutical, cosmetic, and food industries. Reusability, simple recovery, and high chemical and thermal stability make it an attractive alternative to traditional chemical catalysts in industrial applications. Novel methods and support materials for immobilizing lipases have recently attracted much attention. Metal‐organic frameworks (MOFs) are a promising class of materials for enzyme immobilization carriers due to their appealing features, including a high specific surface area, high specific porosity, a stable framework structure, and a wide variety of functional sites. Due to the protection provided to enzymes by MOFs, several reported MOFs‐lipase composites display exceptional catalytic characteristics relative to free lipases. This includes increased enzyme efficiency, stability, selectivity, and recyclability. Herein, we summarize an updated review of the most recent advances in MOFs immobilizing lipases. This review sheds light on the numerous aspects of lipase‐MOF immobilization, with special emphasis on different techniques of designing lipase‐MOF platforms and the advantages of lipase‐MOF composites. Subsequently, molecular simulation approaches in lipase‐MOF immobilization are briefly introduced. Moreover, practical applications of MOFs‐lipase composites have been outlined. Finally, potential limitations and future directions for MOFs‐lipase immobilization research are highlighted.
IDH‐negative chondrosarcoma with metachronous dedifferentiation only in the metastatic site—A diagnostic pitfall
Authors: Sekita Tetsuya , Yoshida Akihiko , Kawai Akira , Ichikawa Hitoshi , Kobayashi Eisuke 
Published: September 2023

AbstractDedifferentiated chondrosarcoma is a subtype of chondrosarcoma with a biphasic histological appearance of a chondrosarcoma component transitioning to a high‐grade, noncartilaginous sarcoma. It is particularly difficult to confirm the diagnosis when a sarcoma lacking cartilaginous component occurs at a distant location from the primary lesion. The patient was a 72‐year‐old woman with multiple lesions in the pelvis, lungs, and liver, 18 months after resection of grade 2 central chondrosarcoma of the sternum. Imaging showed no cartilage component in any location. Although a needle biopsy from the pelvic region confirmed the diagnosis as high‐grade sarcoma without a cartilage component, it was difficult to distinguish between a new primary sarcoma and metachronous metastatic lesions from patient's known prior dedifferentiated chondrosarcoma. We therefore performed a comparative molecular analysis by whole‐exome sequencing of the biopsy sample and the resected sternal central chondrosarcoma. Both lesions had no IDH1/2 mutations but shared 19 somatic mutations and wide‐range chromosomal losses, indicating similar origin. This case illustrates the challenge is coupling a diagnosis of metastatic dedifferentiated chondrosarcoma when no chondroid component is evident. Our study also highlights the benefit of genomic analysis in this differential diagnosis, especially in the context of dedifferentiated chondrosarcoma lacking IDH1/2 mutations.
DCELANM‐Net: Medical image segmentation based on dual channel efficient layer aggregation network with learner
Authors: Lu Chengzhun , Xia Zhangrun , Przystupa Krzysztof , Kochan Orest , Su Jun 
Published: September 2023

AbstractSegmenting medical images is a principal component of computer vision. The UNet model framework has taken over as the standard framework for this activity across a wide range of medical picture segmentation applications. Due to convolutional neural networks (CNNs) convolution operation limitations, the model's global modeling ability is not absolutely perfect. Moreover, a single convolution operation cannot gather feature information at various scales, which will have an impact on the quality of the global feature extraction as well as the localization of local details. The DCELANM‐Net structure, which this article offers, is a model that ingeniously combines a Dual Channel Efficient Layer Aggregation Network (DCELAN) and a Micro Masked Autoencoder (Micro‐MAE). On the one hand, for the DCELAN, the features are more effectively fitted by deepening the network structure, which in turn can successfully learn and fuse the features, helping to locate the local feature information more accurately; and the utilization of each layer of channels is more effectively improved by widening the network structure and residual connections. We adopt Micro‐MAE as the learner of the model. In addition to being straightforward in its methodology, it also includes a self‐supervised learning method, which has the benefit of being incredibly scalable for the model. This scalable method enables the generalization of high‐volume models, and the models can show good scaling behavior. It is also shown that Micro‐MAE is a powerful and adaptable learner that we can incorporate it into our network design to improve the model's accuracy and stability for tasks involving medical picture segmentation. Superior metrics and good generalization are demonstrated by DCELANM‐Net on the datasets Kvasir‐SEG and CVC‐ClinicDB. In the experiments, we set DCELANM‐S and DCELANM‐L to represent different sizes of the model, and since DCELANM‐L has the best performance, DCELANM‐L is determined as the base model for all experiments, called DCELANM.
Remote ultrasound real‐time consultation and quality control system
Authors: Zhang Yong , Luo Yan , Qiu Li , Lu Qiang , Lu Xiao 
Published: September 2023

AbstractUltrasound examination is widely used, but there are problems such as difficulties in quality control and unbalanced distribution of ultrasound resources in primary hospitals. In this article, a novel remote ultrasound real‐time consultation and quality control system was developed. The system uses advanced information science technology, medical image acquisition equipment, audio and video coding and decoding technology, combined User Datagram Protocol (UDP) and Transmission Control Protocol (TCP) transfer protocols, server cluster design technology. It realizes remote real‐time medical consultation and quality control between the doctors in the consulation center and doctors in the ultrasound examination room. The image similarity, transmission delay, and efficiency of ultrasound treatment were tested. System test data show that the quality of ultrasound images transmitted to the consultation center is the same as the quality of the original ultrasound images, the distortion is less than 1%, and the audio and video transmission delay is less than 0.2 s. The system significantly improves the efficiency and quality of ultrasound diagnosis and treatment through its high interactivity, and can also help improve the level of ultrasound diagnosis and treatment in primary hospitals.