bluuebunny/crossref_metadata_2025_split huggingface dataset:
Inclusive Trade Through Online Presence
Authors: Orkoh Emanuel , Teh Robert 
Published: October 2024

ABSTRACTAdvances in information and communication technology (ICT) have reduced trade costs providing enterprises greater opportunity to access international markets. Using the World Bank's enterprise survey data covering more than 180 000 enterprises from 154 countries, we examine whether online presence contributes to inclusiveness by helping firms that traditionally struggle to enter export markets do so. We find that being online is associated with an increase in the probability of exporting by an average of 8 percentage points and with an increase in the level of a firm's exports by about 37%. We also find supporting evidence that online presence is linked with an increase in the likelihood of foreign market entry for enterprises owned and managed by women, firms with a majority female workforce, small and medium‐sized enterprises, firms from lower income countries and developing regions of the world and firms in the services sector. These results have accounted for possible endogeneity of online presence, self‐selection into exporting and industry and country‐year heterogeneity. They suggest that measures to promote digitalization and improve the business environment can offer effective ways of fostering more inclusive trade.
Development and validation of a geographic search filter for MEDLINE (PubMed) to identify studies about Germany
Authors: Pachanov Alexander , Münte Catharina , Hirt Julian , Pieper Dawid 
Published: October 2024

AbstractWhile geographic search filters exist, few of them are validated and there are currently none that focus on Germany. We aimed to develop and validate a highly sensitive geographic search filter for MEDLINE (PubMed) that identifies studies about Germany. First, using the relative recall method, we created a gold standard set of studies about Germany, dividing it into ‘development’ and ‘testing’ sets. Next, candidate search terms were identified using (i) term frequency analyses in the ‘development set’ and a random set of MEDLINE records; and (ii) a list of German geographic locations, compiled by our team. Then, we iteratively created the filter, evaluating it against the ‘development’ and ‘testing’ sets. To validate the filter, we conducted a number of case studies (CSs) and a simulation study. For this validation we used systematic reviews (SRs) that had included studies about Germany but did not restrict their search strategy geographically. When applying the filter to the original search strategies of the 17 SRs eligible for CSs, the median precision was 2.64% (interquartile range [IQR]: 1.34%–6.88%) versus 0.16% (IQR: 0.10%–0.49%) without the filter. The median number‐needed‐to‐read (NNR) decreased from 625 (IQR: 211–1042) to 38 (IQR: 15–76). The filter achieved 100% sensitivity in 13 CSs, 85.71% in 2 CSs and 87.50% and 80% in the remaining 2 CSs. In a simulation study, the filter demonstrated an overall sensitivity of 97.19% and NNR of 42. The filter reliably identifies studies about Germany, enhancing screening efficiency and can be applied in evidence syntheses focusing on Germany.
Effect of β‐sitosterol+γ‐oryzanol‐based oleogels on protein conformation and gel properties of Nemiperus virgatus surimi
Authors: Mi Hongbo , Yang Yingci , Tan Miaomiao , Li Jianrong , Li Xuepeng , Chen Jingxin 
Published: October 2024

AbstractBACKGROUNDThe impact of β‐sitosterol+γ‐oryzanol‐based oleogels or peanut oil on the protein conformation and gel quality of Nemiperus virgatus surimi was evaluated.RESULTSA significant reduction in gel strength, texture parameters and water holding capacity (WHC) of surimi was found as oil concentration increased (P < 0.05). However, compared with peanut oil, the gel strength, hydrophobic interaction and disulfide bond content of surimi gel containing oleogels increased by 6.919%, 32.635% and 12.409%, respectively, when the oil concentration was 10 g kg−1. Both oleogels and peanut oil could enhance the whiteness of surimi gel. Oleogels induced the unfolding of surimi proteins, and promoted the conformational shift from α‐helix to β‐sheet structure. Furthermore, oleogels filled the gaps of protein networks to make the microstructure of surimi gel more compact and uniform, improving the WHC and reducing the cooking loss.CONCLUSIONγ‐Oryzanol+β‐sitosterol‐based oleogel alleviated the adverse influences of direct addition of peanut oil on the gel and textural properties of surimi products. © 2024 Society of Chemical Industry.
Patient‐specific instrumentation improved clinical outcome and implant survival but is not superior compared to conventional total knee arthroplasty: Ten years follow‐up of a multicenter double‐blind randomized controlled trial
Authors: Theeuwen Dieuwertje M. J. , Dorling Isobel M. , Most Jasper , van Drumpt Rogier A. M. , van der Weegen Walter , Welting Tim J. M. , Schotanus Martijn G. M. , Boonen Bert 
Published: October 2024

AbstractPurposePatient‐specific instrumentation (PSI) is a commonly used technique designed to improve mechanical alignment in total knee arthroplasty (TKA) and was therefore believed to lead to better clinical outcome and implant survival rates compared with conventional instruments (CIs). To date, long‐term results comparing these two techniques are not available.MethodsThis study is a 10‐year follow‐up of a previous double‐blind multicenter randomized controlled trial where PSI was compared with CI. Patients with osteoarthritis of the knee who were candidates for TKA were included. Exclusion criteria were metal near the knee‐, ankle‐ or hip joint, patients with contra‐indications for a magnetic resonance imaging (MRI) scan and patients who had previous knee surgery (except arthroscopic meniscectomy). Clinical outcomes were assessed using patient‐reported outcome measures (PROMs), and the analysis was performed with a general linear mixed model for repeated measurements. Kaplan–Meier curves were used to compare revision rates. X‐rays were obtained and examined by two individual reviewers for any signs of loosening of the components.ResultsAt a mean follow‐up of 10.1 (SD 0.1) years, 129 patients (loss to follow‐up 23%) were analysed in this trial. No statistically significant difference between the two groups were found for any of the PROMs and revision rates were comparable, six in the PSI group and three in the CI group (p = 0.29). Two X‐rays in the PSI group showed a radiolucent line of the femoral component.ConclusionAt 10‐year follow‐up, PSI does not lead to better clinical outcome or survival of the prosthesis compared with CI.Level of Evidence1.
Excellent clinical and radiological outcomes after arthroscopic reduction and double row‐suture bridge for large‐sized greater tuberosity fractures of the humerus
Authors: Ko Sang‐Hun , Oh Jaemin , Park Ki‐Bong , Oh Sangheon , Jeon Young Dae 
Published: October 2024

AbstractPurposeCurrently, there is limited information on the clinical outcomes of arthroscopic reduction and double‐row suture bridge fixation for large greater tuberosity fractures of the proximal humerus. This study aimed to evaluate the radiological and clinical outcomes of arthroscopic reduction and double‐row suture bridge fixation for these fractures, hypothesizing that arthroscopic reduction and double‐row suture bridge fixation is a safe, effective and minimally invasive treatment for large greater tuberosity fractures.MethodsThis retrospective study analysed patients with large greater tuberosity fractures (fracture fragment ≥30 mm in diameter) who underwent arthroscopic reduction and double‐row suture bridge fixation and had a follow‐up period exceeding 2 years. The anatomic reduction was confirmed by assessing the step‐off on radiographs immediately after surgery, and the radiologic union time was recorded. At the final follow‐up, range of motion and functional outcome scores were evaluated. Additionally, any surgery‐related complications were evaluated.ResultsFifteen patients with a mean follow‐up of 57.7 ± 23.1 months were included in the study. The mean fracture fragment size was 32.5 ± 2.4 mm, with a mean displacement of 5.1 ± 1.6 mm. Immediately postsurgery, 13 of 15 patients (86.7%) had a fracture step‐off of <3 mm, with an average union time of 3 months. At the final follow‐up, patients demonstrated excellent outcomes, with an average forward flexion of 167 ± 9.7° and external rotation of 70 ± 16.3. Functional outcome scores showed significant improvement compared with preoperative scores (p < 0.001). No major surgery‐related complications were reported.ConclusionsArthroscopic reduction and double‐row suture bridge fixation for large‐sized greater tuberosity fractures is safe and shows good fracture reduction and excellent clinical outcomes. Therefore, this surgical method can be considered an alternative to open reduction for large greater tuberosity fractures.Level of EvidenceLevel IV.
Precision Design of Sequence‐Defined Polyurethanes: Exploring Controlled Folding Through Computational Design
Authors: Samokhvalova Svetlana , Lutz Jean‐François , Coluzza Ivan 
Published: October 2024

AbstractThis study presents the exploration of sequence‐defined polyurethanes (PUs) as a new class of heteropolymers capable of precise conformational control. Utilizing molecular dynamics simulations, the folding behavior of polyurethane chains is investigated of varying lengths (11, 20, and 50 monomers) in both vacuum and aqueous environments. The simulations reveal that the heterogeneous chains systematically refold to approach the designed target structures better than non‐designed chains or chains with artificially disrupted hydrogen‐bond networks. The subsequent synthesis of an optimized 11‐mer sequence (P1) is achieved through solid‐phase chemistry, with thorough characterization via NMR, MS, and SEC confirming the accuracy of the predicted sequence and its controlled chain length. Solubility tests showed favorable results across multiple solvents, highlighting the versatility of the designed polymer. This research underscores the potential of sequence‐defined polyurethanes to emulate the structural and functional attributes of biological macromolecules, opening new pathways for their application in catalysis, drug delivery, and advanced material design. The findings illustrate a promising direction for the development of synthetic polymers with tailored properties, emphasizing the transformative impact of sequence control in polymer chemistry.
Transparent Photochromic Coatings for Smart Windows and Information Storage
Authors: Liu Weining , Tian Yuting , Yong Wanxiong , Xiong Tuodong , Fu Guodong 
Published: October 2024

AbstractOrganic–inorganic composite photochromic coatings receive significant attention in energy utilization and conservation due to their easy application and rapid photoresponse. However, their high sensitivity to moisture limits practical applications. This study fabricates organic–inorganic composite functional coatings using a simple one‐pot method, producing materials with excellent photoresponsive, water resistance, and thermal insulation. Unmodified phosphotungstic acid serves as the inorganic photochromic filler, while methacrylate derivatives act as the polymer matrix, resulting in coatings with high initial transparency (over 85%). After 5 min of UV exposure, the samples shift to nearly non‐transmittable states in the visible range and maintain color depth through 14 coloring‐erasing cycles. Unlike polyvinylpyrrolidone substrates, which absorb moisture and soften quickly, this coating has a static water contact angle of up to 91.7°, showing excellent water resistance. Additionally, the composite material provides effective heat insulation in simulated chamber experiments, lowering the temperature by 15 °C compared to untreated chambers. In summary, this composite coating, with its excellent thermal insulation, rapid light responsiveness, stable cycling performance, and outstanding waterproof capabilities, proves highly suitable for applications such as smart windows, information storage, and building energy efficiency.
Water as Dual‐Function Plasticizer and Cosolvent in Gel Electrolytes for Dye‐Sensitized Solar Cells
Authors: Goh Z. L. , Farhana N.K. , Kamarulazam Fathiah , Pershaanaa M. , Bashir Shahid , Ramesh K. , Ramesh S. 
Published: October 2024

AbstractThis study presents a novel approach to developing eco‐friendly dye‐sensitized solar cells (DSSCs) using natural and renewable materials for gel polymer electrolytes (GPEs), reducing reliance on unsustainable solvents. Water is added to polar aprotic solvents, specifically ethylene carbonate/propylene carbonate (EC/PC), across various mass fractions (0:100 to 100:0). An amphiphilic hydroxypropyl cellulose (HPC) natural polymer is employed to formulate GPEs within this water‐EC/PC cosolvent system, achieving successful gelation up to 50:50 mass fractions. Incorporating water reduced the gel strength and viscosity of the GPEs. Water acted as a plasticizer, enhancing the polymer chains mobility, and creating a more flexible and permeable structure. This increased ion diffusion coefficients and ion mobility, resulting in a maximum ionic conductivity of 18.17 mS cm−1. The highest efficiency achieved in DSSCs using these GPEs is 5.81%, with elevated short‐circuit current density and reduced recombination losses. However, some compositions experienced syneresis, affecting their stability. The GPE with a 40:60 mass fraction exhibited superior long‐term stability because it is free from syneresis, though it achieved a lower efficiency (4.83%), making it the best‐performing sample. This work demonstrates the feasibility and benefits of using gel polymer electrolytes in an aqueous system, improving DSSC efficiency and sustainability.
ERL‐ProLiGraph: Enhanced representation learning on protein‐ligand graph structured data for binding affinity prediction
Authors: Paendong Gloria Geine , Ngnamsie Njimbouom Soualihou , Zonyfar Candra , Kim Jeong‐Dong 
Published: October 2024

AbstractPredicting Protein‐Ligand Binding Affinity (PLBA) is pivotal in drug development, as accurate estimations of PLBA expedite the identification of promising drug candidates for specific targets, thereby accelerating the drug discovery process. Despite substantial advancements in PLBA prediction, developing an efficient and more accurate method remains non‐trivial. Unlike previous computer‐aid PLBA studies which primarily using ligand SMILES and protein sequences represented as strings, this research introduces a Deep Learning‐based method, the Enhanced Representation Learning on Protein‐Ligand Graph Structured data for Binding Affinity Prediction (ERL‐ProLiGraph). The unique aspect of this method is the use of graph representations for both proteins and ligands, intending to learn structural information continued from both to enhance the accuracy of PLBA predictions. In these graphs, nodes represent atomic structures, while edges depict chemical bonds and spatial relationship. The proposed model, leveraging deep‐learning algorithms, effectively learns to correlate these graphical representations with binding affinities. This graph‐based representations approach enhances the model‘s ability to capture the complex molecular interactions critical in PLBA. This work represents a promising advancement in computational techniques for protein‐ligand binding prediction, offering a potential path toward more efficient and accurate predictions in drug development. Comparative analysis indicates that the proposed ERL‐ProLiGraph outperforms previous models, showcasing notable efficacy and providing a more suitable approach for accurate PLBA predictions.
Chemoinformatics for corrosion science: Data‐driven modeling of corrosion inhibition by organic molecules
Authors: Baskin Igor , Ein‐Eli Yair 
Published: October 2024

AbstractThis paper reviews the application of machine learning to the inhibition of corrosion by organic molecules. The methodologies considered include quantitative structure‐property relationships (QSPR) and related data‐driven approaches. The characteristic features of their key components are considered as applied to corrosion inhibition, including datasets, response properties, molecular descriptors, machine learning methods, and structure‐property models. It is shown that the most important factors determining their choice and application features are: (1) the small or very small size of datasets, (2) the mechanism of corrosion inhibition associated with the adsorption of inhibitor molecules on the metal surface, and (3) multifactorial conditioning and noisiness of response property. On this basis, the application of machine learning to the inhibition of corrosion of materials based on iron, aluminum, and magnesium is considered. The main trends in the development of QSPR and related data‐driven modeling of corrosion inhibition are discussed, the shortcomings and common errors are considered, and the prospects for their further development are outlined.
miRNA interplay: Mechanisms and therapeutic interventions in cancer
Authors: Wang Zehua , Wang Hangxuan , Zhou Shuhan , Mao Jiasheng , Zhan Zhiqing , Duan Shiwei 
Published: October 2024

AbstractMicroRNAs (miRNAs) are key molecules that regulate gene expression. miRNAs regulate protein synthesis by binding to mRNA, influencing processes such as cell proliferation, metastasis, and apoptosis. They play a pivotal role in cancer development. Current research mainly explores miRNA mechanisms and applications, and the techniques underpinning this research are foundational to both basic science and clinical translation. However, no review has comprehensively examined miRNA mechanisms and applications from a technical perspective, creating a need for this work. Advances in RNA sequencing technology, CRISPR/Cas9 technology, and bioinformatics tools have deepened our understanding of miRNA interactions. miRNA can serve as a biomarker for cancer diagnosis and prognosis, with significant clinical potential. The development of miRNA mimics and inhibitors has brought new hope for cancer treatment, especially in reversing cancer drug resistance. This article reviews the vital role of miRNA interactions in cancer occurrence, development, diagnosis, and treatment, providing new perspectives and strategies for personalized medicine and cancer therapy.
Poly(butylene succinate) Microparticles Prepared Through Green Suspension Polycondensations
Authors: Bentes Jéssica , Dutra Luciana , Sousa‐Batista Ariane de J. , Pinto José Carlos 
Published: October 2024

AbstractThe demand for sustainable polymer particles production is growing, driven by the need for efficient, biocompatible, and biodegradable materials. In this context, the present study explores the production of poly(butylene succinate) (PBS) particles in a single step using a green heterogeneous suspension process, using vegetable oil as the suspending medium. Particularly, the effects of oil type (soybean, corn, sunflower), dispersed phase holdup (10–30 wt.%), stabilizers (Span 20, Span 80, Tween 80, Brij 52, Brij 93, Igepal‐co‐520, Polyglycerol polyricinoleate (PGPR)), reaction time (1–5 h), and temperature (100–160 °C) on the suspension polymerization are investigated. Results indicate that particle size and shape are influenced by the vegetable oil and stabilizer. Additionally, it is shown that the particle size distribution is affected by the use of a sonicator, allowing the manufacture of even smaller microsized particles. Based on the results, a 30 wt.% holdup in corn oil with a blend of surfactants can be recommended, producing spherical particles with an average diameter of 100 µm. Moreover, higher reaction temperatures (160 °C) and longer reaction times (5 h) positively impacted the molar mass of the obtained particles. Finally, cytotoxicity tests using Bone Marrow‐Derived Macrophages cells confirmed the safe use of PBS microparticles at concentrations up to 1000 µg mL⁻¹
Free‐breathing 3D cardiac extracellular volume (ECV) mapping using a linear tangent space alignment (LTSA) model
Authors: Lee Wonil , Han Paul Kyu , Marin Thibault , Mounime Ismaël B. G. , Vafay Eslahi Samira , Djebra Yanis , Chi Didi , Bijari Felicitas J. , Normandin Marc D. , El Fakhri Georges , Ma Chao 
Published: October 2024

AbstractPurposeTo develop a new method for free‐breathing 3D extracellular volume (ECV) mapping of the whole heart at 3 T.MethodsA free‐breathing 3D cardiac ECV mapping method was developed at 3 T. T1 mapping was performed before and after contrast agent injection using a free‐breathing electrocardiogram‐gated inversion recovery sequence with spoiled gradient echo readout. A linear tangent space alignment model‐based method was used to reconstruct high‐frame‐rate dynamic images from (k,t)‐space data sparsely sampled along a random stack‐of‐stars trajectory. Joint T1 and transmit B1 estimation were performed voxel‐by‐voxel for pre‐ and post‐contrast T1 mapping. To account for the time‐varying T1 after contrast agent injection, a linearly time‐varying T1 model was introduced for post‐contrast T1 mapping. ECV maps were generated by aligning pre‐ and post‐contrast T1 maps through affine transformation.ResultsThe feasibility of the proposed method was demonstrated using in vivo studies with six healthy volunteers at 3 T. We obtained 3D ECV maps at a spatial resolution of 1.9 × 1.9 × 4.5 mm3 and a FOV of 308 × 308 × 144 mm3, with a scan time of 10.1 ± 1.4 and 10.6 ± 1.6 min before and after contrast agent injection, respectively. The ECV maps and the pre‐ and post‐contrast T1 maps obtained by the proposed method were in good agreement with the 2D MOLLI method both qualitatively and quantitatively.ConclusionThe proposed method allows for free‐breathing 3D ECV mapping of the whole heart within a practically feasible imaging time. The estimated ECV values from the proposed method were comparable to those from the existing method.
Chemical shift–encoded multishot EPI for navigator‐free prostate DWI
Authors: Dong Yiming , Atkinson David , Koolstra Kirsten , van Osch Matthias J. P. , Börnert Peter 
Published: October 2024

AbstractPurposeDWI is an important contrast for prostate MRI to enable early and accurate detection of cancer. This study introduces a Dixon 3‐shot‐EPI protocol with structured low‐rank reconstruction for navigator‐free DWI. The aim is to overcome the limitations of single‐shot EPI (ssh‐EPI), such as geometric distortions and fat signal interference, while addressing the motion‐induced phase variations of multishot EPI and simultaneously allowing water/fat separation.MethodsDWI data were acquired from 7 healthy volunteers using both Dixon 3‐shot EPI and standard fat‐suppressed ssh‐EPI with similar scan times for comparison. Two readers evaluated image quality using a 5‐point Likert scale regarding different aspects. The ADC values were quantitatively compared between protocols. To show feasibility in a clinical setting, the protocol was applied to two patients.ResultsFrom the reader scores, Dixon 3‐shot EPI significantly reduced geometric distortion compared with ssh‐EPI (p < 0.01), with no significant differences in edge definition, SNR, or overall image quality. There was no significant difference in ADC values between the two protocols. However, the Dixon multishot‐EPI protocol offered advantages such as self‐referenced B0 map–driven distortion correction, greater flexibility in imaging parameters, and superior fat suppression. In the patient data, the lesion could be clearly identified in both protocols and on the associated ADC maps.ConclusionThe proposed Dixon 3‐shot‐EPI protocol shows promise as an alternative to ssh‐EPI for prostate DWI, providing reduced geometric distortions and improved fat suppression. It addresses common DWI issues based on EPI and enhances scanning flexibility, indicating potential for optimized imaging.