bluuebunny/crossref_metadata_2025_split huggingface dataset:
CAPBO: A cost‐aware parallelized Bayesian optimization method for chemical reaction optimization
Authors: Liang Runzhe , Hu Haoyang , Han Yueheng , Chen Bingzhen , Yuan Zhihong 
Published: December 2023

AbstractBayesian optimization employs probabilistic surrogate models to effectively address expensive and time‐consuming closed‐loop chemical experimental design. However, traditional Bayesian optimization focuses on reducing the number of iterations and follows an inherently sequential process (with one new data point sampled in each iteration), which is an inefficient means of exploiting and characterizing reactions using parallel microreactors. In this article, we present an approach that overcomes this issue by considering two essential factors: experimental cost sensitivity and parallelization. We propose a novel cost‐aware parallelized Bayesian optimization method (CAPBO) in which the goal is changed from reducing the number of iterations to reducing the experimental cost, with quantitative experimental speed‐up achieved through parallelization. The combination of these two items greatly fits the need of reaction optimization, leading to better optimization effects. Benchmarking and case studies demonstrate that the proposed method significantly outperforms traditional Bayesian optimization and considerably improves the optimization efficiency while maintaining the simplicity of the framework.
A novel semi‐resolved CFD‐DEM method with two‐grid mapping: Methodology and verification
Authors: Che Hanqiao , Windows‐Yule Kit , O'Sullivan Catherine , Seville Jonathan 
Published: December 2023

AbstractThe semi‐resolved Computational Fluid Dynamics coupled with the Discrete Element Method (CFD‐DEM) method has emerged as approach to modeling particle‐fluid interactions in granular materials with high particle size ratios. However, challenges arise from conflicting requirements regarding the CFD grid size, which must adequately resolve fluid flow in the pore space while maintaining a physically meaningful porosity field. This study addresses these challenges by introducing a two‐grid mapping approach. Initially, the porosity field associated with fine particles is estimated using a coarse CFD grid, which is then mapped to a dynamically refined grid. To ensure conservation of total solid volume, a volume compensation procedure is implemented. The proposed method has been rigorously verified using benchmark cases, showing its high computational efficiency and accurate handling of complex porosity calculations near the surface of coarse particles. Moreover, the previously unreported impact of the empirical drag correlation on fluid‐particle force calculations for both coarse and fine particles has been revealed.
The d‐band energy level splitting of ferric group (Fe, Co, Ni) metals drives the adsorption‐conversion of polysulfides
Authors: Li Tong , Sun Yajie , Shi Kaixiang , Qin Weilun , Chen Hangyi , Li Junhao , Zheng Yuying , Liu Quanbing , Liang Zhenxing 
Published: December 2023

AbstractThe notorious lithium polysulfides (LiPSs) shuttle effect, which results in low capacity, subpar rate performance, and quick capacity deterioration, has severely restricted the practical applications of lithium sulfur (Li‐S) batteries. Therefore, it is very important for modified materials to promote thermodynamics and redox kinetics in the entrapping‐conversion process of polysulfides. Density functional theory (DFT) calculations show that ferric group (Fe, Co, Ni) transition metals not only provide moderate binding contacts with LiPSs but also act as an active catalyst in the spontaneous and sequential lithiation of S8 to Li2S by d‐band energy level splitting, and quick migration of Li ions can be operated on their surface, enhancing the utilization of LiPSs. Experimentally, felicitously‐fabricated ferric group (Fe, Co, Ni) transition metals encapsulated in nitrogen‐doped carbon nanotubes (M@NCNT) electrocatalysts were introduced into Li‐S batteries via separator functionalization. Actually, the experiments demonstrated that the excellent shuttle effect hindering was enabled. Consistent with theoretical predictions, Li‐S batteries with Ni@NCNT modified separators had significantly improved rate capacity and cycling stability. The cells with Ni@NCNT were able to achieve a high initial discharge capacity of 1035 mAh g−1 and a capacity retention rate of 70% at 500 discharges at 1.0 C with a 0.060% capacity decay each cycle, performing considerable cycle‐life with state‐of‐the‐art separators. Our work demonstrated a realistic separator‐modified strategy of d‐band energy level splitting from ferric group metals for high‐performance and long‐life Li‐S batteries, further propelling Li‐S battery commercialization.
Calceolariaceae809: A bait set for targeted sequencing of nuclear loci
Authors: Medina Nicolas , Tank David C. , Espíndola Anahí 
Published: December 2023

AbstractPremiseThe genus Calceolaria (Calceolariaceae) is emblematic of the Andes, is hypothesized to have originated as a recent, rapid radiation, and has important taxonomic needs. Additionally, the genus is a model for the study of specialized pollination systems, as its flowers are nectarless and many offer floral oils as a pollination reward collected by specialist bees. Despite their evolutionary and ecological significance, obtaining a resolved phylogeny for the group has proved difficult. To address this challenge, we present a new bait set for targeted sequencing of nuclear loci in Calceolariaceae and close relatives.MethodsWe developed a bioinformatic workflow to use incomplete, low‐coverage genomes of 10 Calceolaria species to identify single‐copy loci suitable for phylogenetic studies and design baits for targeted sequencing.ResultsOur approach resulted in the identification of 809 single‐copy loci (733 noncoding and 76 coding regions) and the development of 39,937 baits, which we validated in silico (10 specimens) and in vitro (29 Calceolariaceae and six outgroups). In both cases, the data allowed us to recover robust phylogenetic estimates.DiscussionOur results demonstrate the appropriateness of the bait set for sequencing recent and historic specimens of Calceolariaceae and close relatives, and open new doors for further investigation of the evolutionary history of this hyperdiverse genus.
Candidate pathway association and genome‐wide association approaches reveal alternative genetic architectures of carotenoid content in cultivated sunflower (Helianthus annuus)
Authors: Dowell Jordan A. , Mason Chase 
Published: December 2023

AbstractPremiseThe explosion of available genomic data poses significant opportunities and challenges for genome‐wide association studies. Current approaches via linear mixed models (LMM) are straightforward but prevent flexible assumptions of an a priori genomic architecture, while Bayesian sparse LMMs (BSLMMs) allow this flexibility. Complex traits, such as specialized metabolites, are subject to various hierarchical effects, including gene regulation, enzyme efficiency, and the availability of reactants.MethodsTo identify alternative genetic architectures, we examined the genetic architecture underlying the carotenoid content of an association mapping panel of Helianthus annuus individuals using multiple BSLMM and LMM frameworks.ResultsThe LMMs of genome‐wide single‐nucleotide polymorphisms (SNPs) identified a single transcription factor responsible for the observed variations in the carotenoid content; however, a BSLMM of the SNPs with the bottom 1% of effect sizes from the results of the LMM identified multiple biologically relevant quantitative trait loci (QTLs) for carotenoid content external to the known (annotated) carotenoid pathway. A candidate pathway analysis (CPA) suggested a β‐carotene isomerase to be the enzyme with the highest impact on the observed carotenoid content within the carotenoid pathway.DiscussionWhile traditional LMM approaches suggested a single unknown transcription factor associated with carotenoid content variation in sunflower petals, BSLMM proposed several QTLs with interpretable biological relevance to this trait. In addition, the CPA allowed for the dissection of the regulatory vs. biosynthetic genetic architectures underlying this metabolic trait.
Assessment of profit efficiency of smallholder potato farmers in Nakuru County, Kenya
Authors: Chemjor Henry , Mose Jared , Ngeno Vincent 
Published: December 2023

AbstractThe importance of potato (Solanum tuberosum L) production to the country's economic growth is quite clear, but little is known about its profitability and determinants. The current potato yields of smallholder farmers are <10 t/ha, against 40 t/ha achievable under optimum utilization of resources and recommended agronomic practices. The objective of the study was to assess the gross margin (GM) of smallholder potato farmers and estimate their profit efficiency level and influencing factors. A cross‐sectional research design and multistage sampling technique were used to obtain a sample of 277 respondents for the study. Results indicated an average GM of Ksh 57,438 per ha per season, implying that potato farming is a lucrative enterprise. Despite this, the study further showed that there are profit inefficiencies in its production process. The average profit efficiency recorded was 43.5%, implying that potato farmers can potentially increase their profits up to 56.5%. Profit efficiency was found to increase significantly with access to extension and credit services, education level, non‐farm income, and membership in farmer groups, while decreasing significantly with farmer age. Apart from optimizing the use of farm inputs, the profit efficiency of smallholder potato farmers can thus be improved by enhancing farmer education and extension service delivery, formulating favorable credit strategies that will make loan acquisition easier for potato farmers, and encouraging farmers to join farmer groups in order to benefit from economies of scale.
A review on bioactive compounds and health benefits of Baccaurea ramiflora
Authors: Rohilla Shubham 
Published: December 2023

AbstractThe purpose of this review is to explore the underutilized and underexploited Burmese grape (Baccaurea ramiflora) as a valuable plant food crop grown in the northeastern region of India. Despite its seasonal availability, this fruit is used in various culinary applications and local delicacies. It is noteworthy for its abundant natural bioactive compounds that offer diverse health benefits. These bioactive compounds have demonstrated properties such as anti‐inflammatory, antiobesity, cytotoxic, and antidiabetic effects. This review compiles and analyzes the most recent research findings concerning the bioactive compounds found in Burmese grape's leaves, fruit, and seeds. Additionally, it investigates the physicochemical properties and nutritional composition of the fruit pulp and seed oil. The synthesis of this information provides a comprehensive understanding of the plant's phytochemical content, including essential components like vitamin C, iron, potassium, alkaloids, saponins, and phenolic acids, which contribute to its medicinal and health‐promoting attributes. The results presented in this review shed light on the potential applications of the Burmese grape and its bioactive compounds in various industrial sectors. With the growing interest in functional and nutraceutical products, the insights gathered here offer promising opportunities for leveraging the nutritional and health‐enhancing benefits of this fruit in the food and pharmaceutical industries.
Effects of extending residencies on the supply and quality of family medicine practitioners; difference‐in‐differences evidence from the implementation of mandatory family medicine residencies in Canada
Authors: Strobel Stephenson 
Published: December 2023

AbstractI examine the impacts of extending residency training programs on the supply and quality of physicians practicing primary care. I leverage mandated extended residency lengths for primary care practitioners that were rolled out over 20 years in Canada on a province‐by‐province basis. I compare these primary care specialties to other specialties that did not change residency length (first difference) before and after the policy implementation (second difference) to assess how physician supply evolved in response. To examine quality outcomes, I use a set of scraped data and repeat this difference‐in‐differences identification strategy for complaints resulting in censure against physicians in Ontario. I find declines in the number of primary care providers by 5% for up to 9 years after the policy change. These changes are particularly pronounced in new graduates and younger physicians, suggesting that the policy change dissuaded these physicians from entering primary care residencies. I find no impacts on quality of physicians as measured by public censure of physicians. This suggests that extending primary care training caused declines in physician supply without improvement in the quality of these physicians. This has implications for current plans to extend residency training programs.
Improvement of 2D cine image quality using 3D priors and cycle generative adversarial network for low field MRI‐guided radiation therapy
Authors: Dong Yuyan , Yang Fei , Wen Jie , Cai Jing , Zeng Feiyan , Liu Mengqiu , Li Shuang , Wang Jiangtao , Ford John Chetley , Portelance Lorraine , Yang Yidong 
Published: December 2023

AbstractBackgroundCine magnetic resonance (MR) images have been used for real‐time MR guided radiation therapy (MRgRT). However, the onboard MR systems with low‐field strength face the problem of limited image quality.PurposeTo improve the quality of cine MR images in MRgRT using prior image information provided by the patient planning and positioning MR images.MethodsThis study employed MR images from 18 pancreatic cancer patients who received MR‐guided stereotactic body radiation therapy. Planning 3D MR images were acquired during the patient simulation, and positioning 3D MR images and 2D sagittal cine MR images were acquired before and during the beam delivery, respectively. A deep learning‐based framework consisting of two cycle generative adversarial networks (CycleGAN), Denoising CycleGAN and Enhancement CycleGAN, was developed to establish the mapping between the 3D and 2D MR images. The Denoising CycleGAN was trained to first denoise the cine images using the time domain cine image series, and the Enhancement CycleGAN was trained to enhance the spatial resolution and contrast by taking advantage of the prior image information from the planning and positioning images. The denoising performance was assessed by signal‐to‐noise ratio (SNR), structural similarity index measure, peak SNR, blind/reference‐less image spatial quality evaluator (BRISQUE), natural image quality evaluator, and perception‐based image quality evaluator scores. The quality enhancement performance was assessed by the BRISQUE and physician visual scores. In addition, the target contouring was evaluated on the original and processed images.ResultsSignificant differences were found for all evaluation metrics after Denoising CycleGAN processing. The BRISQUE and visual scores were also significantly improved after sequential Denoising and Enhancement CycleGAN processing. In target contouring evaluation, Dice similarity coefficient, centroid distance, Hausdorff distance, and average surface distance values were significantly improved on the enhanced images. The whole processing time was within 20 ms for a typical input image size of 512 × 512.ConclusionTaking advantage of the prior high‐quality positioning and planning MR images, the deep learning‐based framework enhanced the cine MR image quality significantly, leading to improved accuracy in automatic target contouring. With the merits of both high computational efficiency and considerable image quality enhancement, the proposed method may hold important clinical implication for real‐time MRgRT.
Predictive stroke risk model with vision transformer‐based Doppler features
Authors: Lo Chung‐Ming , Hung Peng‐Hsiang 
Published: December 2023

AbstractBackgroundAcute stroke is the leading cause of death and disability globally, with an estimated 16 million cases each year. The progression of carotid stenosis reduces blood flow to the intracranial vasculature, causing stroke. Early recognition of ischemic stroke is crucial for disease treatment and management.PurposeA computer‐aided diagnosis (CAD) system was proposed in this study to rapidly evaluate ischemic stroke in carotid color Doppler (CCD).MethodsBased on the ground truth from the clinical examination report, the vision transformer (ViT) features extracted from all CCD images (513 stroke and 458 normal images) were combined in machine learning classifiers to generate the likelihood of ischemic stroke for each image. The pretrained weights from ImageNet reduced the time‐consuming training process. The accuracy, sensitivity, specificity, and area under the receiver operating characteristic curve were calculated to evaluate the stroke prediction model. The chi‐square test, DeLong test, and Bonferroni correction for multiple comparisons were applied to deal with the type‐I error. Only p values equal to or less than 0.00125 were considered to be statistically significant.ResultsThe proposed CAD system achieved an accuracy of 89%, a sensitivity of 94%, a specificity of 84%, and an area under the receiver operating characteristic curve of 0.95, outperforming the convolutional neural networks AlexNet (82%, p < 0.001), Inception‐v3 (78%, p < 0.001), ResNet101 (84%, p < 0.001), and DenseNet201 (85%, p < 0.01). The computational time in model training was only 30 s, which would be efficient and practical in clinical use.ConclusionsThe experiment shows the promising use of CCD images in stroke estimation. Using the pretrained ViT architecture, the image features can be automatically and efficiently generated without human intervention. The proposed CAD system provides a rapid and reliable suggestion for diagnosing ischemic stroke.
Technical note: Determination of proton linear energy transfer from the integral depth dose
Authors: Yao Weiguang , Farr Jonathan B. , Mossahebi Sina , Yi Byongyong , Chen Shifeng 
Published: December 2023

AbstractBackgroundProton linear energy transfer (LET) is associated with the relative biological effectiveness of radiation on tissues. Monte Carlo (MC) simulations have been known to be the preferred method to calculate LET. Detectors have also been built to measure LET, but they need to be calibrated with MC simulations.PurposeTo propose and test a MC‐free method for determining LET from the measured integral depth dose (LFI) of the protons of interest.Method and materialsLFI consists of three steps: (1) IDD measurements, (2) extraction of energy spectrum (ES) from the IDD, and (3) LET determination from the extracted ES and the stopping power of each energy. To validate the accuracy of the extraction of ES, we use Gaussian ES to synthesize IDD, extract ES from the synthesized IDD, and then compare the original (ground truth) and extracted ES. LETs calculated from the original and extracted ES are also compared. To obtain the LET of protons of interest, we measure IDDs by a large‐area plane‐parallel ionization chamber in water. Finally, TOPAS MC is employed to simulate IDDs, ES, and LETs. From the simulated IDD, the extracted ES and LET are compared with the simulations from TOPAS MC.ResultsFrom the synthesized IDDs, the LETs agreed excellently when the peak energies ≥10 and 1.25 MeV with depth resolutions 0.1 and 0.01 mm, respectively. For energy <1.25 MeV, even higher depth resolution than 0.01 mm is required. From the MC simulated IDDs, our track‐averaged LET excellently agreed with MC simulation, but not the LETd. Our LETd was smaller than MC simulated LETd in the shallow region but larger in the distal Bragg peak region.ConclusionLET can be accurately determined from the IDD. This method can be used in the clinic to commission or validate LETs from other measurement methods or a treatment planning system.
Extension of the cone‐beam CT field‐of‐view using two complementary short scans
Authors: Belotti Gabriele , Fattori Giovanni , Baroni Guido , Rit Simon 
Published: December 2023

AbstractBackgroundRobotic C‐arm cone‐beam computed tomography (CBCT) scanners provide fast in‐room imaging in radiotherapy. Their mobility extends beyond performing a gantry rotation, but they might encounter obstructions to their motion which limit the gantry angle range. The axial field‐of‐view (FOV) of a reconstructed CBCT image depends on the acquisition geometry. When imaging a large anatomical location, such as the thorax, abdomen, or pelvis, a centered cone beam might be insufficient to acquire untruncated projection images. Some CBCT scanners can laterally displace their detector and collimate the beam to increase the FOV, but the gantry must then perform a rotation to provide complete data for reconstruction.PurposeTo extend the FOV of a CBCT image with a single short scan (gantry angle range of fan angle) using two complementary short scans.MethodsWe defined an acquisition protocol using two short scans during which the source follows the same trajectory and where the detector has equal and opposite tilt and/or offset between the two scans, which we refer to as complementary scans. We created virtual acquisitions using a Monte Carlo simulator on a digital anthropomorphic phantom and on a computed tomography (CT) scan of a patient abdomen. For our proposed method, each simulation produced two complementary sets of projections, which were weighted for redundancies and used to reconstruct one CBCT image. We compared the resulting images to the ground truth phantoms and simulations of conventional scans.ResultsReconstruction artifacts were slightly more prominent in the complementary scans w.r.t. a complete scan with untruncated projections but matched those in a single short scan without truncation. When analyzing reconstructed scans from simulated projections with scatter and corrected with prior CT information, we found a global agreement between complementary and conventional scan approaches.ConclusionsWhen dealing with a limited range of motion of the gantry of a CBCT scanner, two complementary short scans are a technically valid alternative to a full 360 scan with equal FOV. This approach enables FOV extension without collisions or hardware upgrades.