bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design and development of novel N‐(4‐aminobenzoyl)‐l‐glutamic acid conjugated 1,3,5‐triazine derivatives as Pf‐DHFR inhibitor: An in‐silico and in‐vitro study
Authors: Adhikari Nayana , Choudhury Ayesha A. K. , Shakya Anshul , Ghosh Surajit K. , Patgiri Saurav J. , Singh Udaya P. , Bhat Hans R. 
Published: December 2022

AbstractIn the present work, a library of 120 compounds was prepared using various aliphatic and aromatic amines. Finally, 10 compounds were selected through in silico screening carrying 4‐aminobenzoyl‐l‐glutamic acid and 1,3,5‐triazine moiety. The docking results of compounds 4d16 and 4d38 revealed higher binding interaction with amino acids Asp54 (−537.96 kcal/mol) and Asp54, Phe116 (−618.22 kcal/mol) against wild (1J3I) and quadruple mutant (1J3K) type of Pf‐DHFR inhibitors and were comparable to standard WR99210. These compounds were developed by facile and microwave‐assisted synthesis via nucleophilic substitution reaction and characterized by different spectroscopic methods. In vitro antimalarial assay results also suggested that these two compounds were having higher antimalarial activity against chloroquine‐sensitive (3D7) and chloroquine‐resistant (Dd2) strain out of the ten synthesized compounds with IC50 13.25 μM and 14.72 μM, respectively. These hybrid scaffolds might be useful in the lead discovery of a new class of Pf‐DHFR inhibitors.
Circ_0018909 knockdown inhibits the development of pancreatic cancer via the miR‐545‐3p/FASN axis and reduces macrophage polarization to M2
Authors: Song Yinxue , Wang Jun , Xu Jing , Gao Ye , Xu Zhichao 
Published: December 2022

AbstractMultiple circular RNAs (circRNAs) were proven to regulate the development of pancreatic cancer. However, the action of circ_0018909 in pancreatic cancer was still unclear. The expression of circ_0018909, microRNA‐545‐3p (miR‐545‐3p), and fatty acid synthase (FASN) was measured using quantitative reverse‐transcriptase PCR (qRT‐PCR). Cell growth, cell cycle arrest, apoptotic cells, metastasis, and epithelial to mesenchymal transition (EMT) were determined using EdU assay, flow cytometry, wound‐healing assay, transwell invasion, and western blotting, respectively. The expression of the macrophage markers, including CD80, MCP‐1, iNOS, and IL‐6 (M1 markers), as well as CD206 and CD163 (M2 markers), was analyzed using qRT‐PCR. Circ_0018909 knockdown dramatically depressed cell growth, migration, invasion, EMT, and elevated the number of apoptotic cells in pancreatic cancer cells, and repressed tumor growth in mice. Moreover, we proved that the absence of miR‐545‐3p rescued the action of circ_0018909 downregulation on cell growth, metastasis, apoptosis, and EMT in pancreatic cancer cells. MiR‐545‐3p bound to FASN and FASN overexpression hindered the impacts of miR‐545‐3p on the progression of pancreatic cancer. Besides this, our data demonstrated that circ_0018909 induced polarization from M0 macrophages to M2 macrophages. Circ_0018909 knockdown retarded the development of pancreatic cancer by modulating miR‐545‐3p to regulate FASN expression.
Morphological and molecular characterization of Rhizoctonia solani AG‐3 associated with tobacco target leaf spot in China
Authors: Xu Shanshan , Liu Xinru , Zhang Jie , Xiao Liangyun , Zhao Lianjing , Li Chengyun , Dong Wenhan , Yang Genhua 
Published: December 2022

AbstractTobacco target leaf spot is a leaf disease that seriously affects both the quantity and quality of commercial tobacco crops and has caused huge economic losses in many countries and also pandemics in China since 2006. The anastomosis group‐3 (AG‐3) pathogen is divided into different subgroups namely AG‐3 PT (potato type), AG‐3TB (tobacco type), and AG‐3 TM (tomato type), based on their host and the combined data from the ribosomal DNA internal transcribed spacer (rDNA‐ITS), rDNA intergenic spacer 1 (rDNA‐IGS1) regions, and translation elongation factor 1‐α (tef‐1α) gene. In this study, we collected tobacco leaves showing target spot symptom from four fields in China. We obtained 49 isolates from southwest China (Yunnan Provinces) and six isolates from northeast China (Liaoning Province). Phylogenetic tree based on rDNA‐ITS region indicated that 51 isolates (49 isolates from Yunnan and two isolates from Liaoning) and 4 isolates from Liaoning belonged to AG‐3 TB and AG‐3 TM, respectively.
Evaluating pharmacy high‐needs criteria: a tool for identifying inpatients at risk of medication‐related problems
Authors: Wembridge Paul , Ngo Cathy , Tran Thi Huong Tra , Ivar Maanya Pavan 
Published: December 2022

AbstractClinical pharmacy services can be costly, and in resource‐constrained healthcare services, should be prioritised towards patients with the greatest potential risks. At our health network, high‐needs pharmacy criteria were developed to identify patients at greatest need of clinical pharmacy services. This retrospective study of 761 patients admitted to four hospitals in metropolitan Melbourne aimed to evaluate the ability of the high‐needs pharmacy criteria to identify patients at increased risk of medication‐related adverse clinical outcomes. Patients' clinical records were reviewed to determine if the patient met one or more elements of the high‐needs criteria. Data on length of stay, 30‐day readmission rate, medication‐related problems, and medication‐related incidents were obtained from the electronic records. Patients meeting one or more high‐needs criteria had a longer length of stay (mean 6.7 days vs 3.1 days, p < 0.01), were more likely to be readmitted within 30 days (27% vs 16%, p < 0.01) and had a higher rate of medication‐related problems (15% vs 7.6%, p < 0.01). The sensitivity of the high‐needs criteria to identify patients with medication‐related problems, medication‐related incidents, or readmission within 30 days was above 80%. In conclusion, the high‐needs pharmacy criteria identified older patients with longer length of stay who are at greater risk of 30‐day readmission and medication‐related problems.
Application of fuzzy algorithms in conjunction with 1H‐NMR spectroscopy to differentiate alcoholic beverages
Authors: Pirnau Adrian , Feher Ioana , Sârbu Costel , Hategan Ariana Raluca , Guyon Francois , Magdas Dana Alina 
Published: December 2022

AbstractBackgroundRecent statistics from the European Commission indicate that wine is one of the commodities most commonly subject to food fraud. In this context, the development of reliable classification models to differentiate alcoholic beverages requires, besides sensitive analytical tools, the use of the most suitable data‐processing methods like those based on advanced statistical tools or artificial intelligence.ResultsThe present study aims to establish a new, innovative approach for the differentiation of alcoholic beverages (wines and fruit distillates), which is able to increase the discrimination rate of the models that have been developed. A data dimensionality reduction step was applied to proton nuclear magnetic resonance (1H‐NMR) profiles. This stage consisted of the application of fuzzy principal component analysis (FPCA) prior to the development of classification models through discriminant analysis. The enhancement of the model's classification potential by the application of FPCA in comparison with principal component analysis (PCA) was discussed.ConclusionThe association of 1H‐NMR spectroscopy and an appropriate statistical approach provided a very effective tool for the differentiation of alcoholic beverages. To develop reliable metabolomic approaches for the differentiation of wines and fruit distillates, 1H‐NMR spectroscopic data were exploited in conjunction with fuzzy algorithms to reduce data dimensionality. The study proved the greater efficiency of using FPCA scores in comparison with those obtained through the widely applied PCA. The proposed approach enabled wines to be distinguished perfectly according to their geographical origins, cultivar, and vintage, and this could be used for wine classification. Moreover, 100% correctly classified samples were also achieved for the botanical and geographical differentiation of fruit distillates. © 2022 Society of Chemical Industry.
Comparison of Gelatin/Polylysine‐ and Silk Fibroin/SDF‐1α‐Coated Mesenchymal Stem Cell‐Seeded Intracranial Stents
Authors: Peng Qichen , Guo Ruimin , Zhou Yangyang , Teng Ruidi , Cao Yulin , Mu Shiqing 
Published: December 2022

AbstractEndothelialization of the aneurysmal neck is essential for aneurysm healing after endovascular treatment. Mesenchymal stem cell (MSC)‐seeded stents can promote aneurysm repair. The biological effects of coated and uncoated nitinol intracranial stents seeded with MSCs on vascular cells and macrophage proliferation and inflammation are investigated. Two stent coatings that exert pro‐aggregation effects on MSCs via different mechanisms are examined: gelatin/polylysine (G/PLL), which enhances cell adhesion, and silk fibroin/SDF‐1α (SF/SDF‐1α), which enhances chemotaxis. The aim is to explore the feasibility of MSC‐seeded coated stents in the treatment of intracranial aneurysms. The G/PLL coating provides the highest cytocompatibility and blood compatibility substrate for MSCs and vascular cells and promotes cell adhesion and proliferation. Moreover, it enhances MSC secretion and regulation of vascular cell and macrophage proliferation and chemotaxis. Although the SF/SDF‐1α coating promotes MSC secretion and vascular cell chemotaxis, it induces a greater degree of macrophage proliferation, chemotaxis, and secretion of pro‐inflammatory factors. MSC‐seeded stents coated with G/PLL may benefit stent surface endothelialization and reduce the inflammatory response after endovascular treatment of intracranial aneurysm. These effects may improve aneurysm healing and increase the cure rate.
Effect of quenching in aqueous polyvinylpyrrolidone solutions on the microstructure and pitting corrosion resistance of AISI 1045 carbon steel
Authors: Nishimoto Masashi , Muto Izumi , Doi Takashi , Kawano Kaori , Sugawara Yu 
Published: December 2022

AbstractCarbon steels are widely used as infrastructure components owing to their high strength, ductility, and weldability. However, as corrosion degrades critical infrastructure components, exploring the relationship between the microstructure and corrosion resistance of carbon steel is of particular interest in engineering. To analyze this relationship, it is first essential to evaluate the corrosion resistance of each microstructure in a carbon steel specimen with a single chemical composition to eliminate the effects of alloying elements. In this study, we compared the pitting corrosion resistance of four microstructures (water‐quenched martensite, tempered martensite, bainite and degenerate pearlite, and ferrite–pearlite) of an AISI 1045 medium‐carbon steel. The pitting corrosion resistances of the microstructures in near‐neutral pH solutions containing NaCl were ordered as follows: (high) water‐quenched martensite > bainite and degenerate pearlite > tempered martensite > ferrite–pearlite (low). Elucidating the effect of the microstructure on the pitting corrosion resistance may contribute to the development of corrosion‐resistant carbon steels with excellent mechanical properties.
Corrosion characterization of NiTi alloy by femtosecond laser surface processing
Authors: Yang Qibiao , Wang Jie , Bian Ruonan , Chen Lie , Cheng Jian , Lou Deyuan , Liu Dun 
Published: December 2022

AbstractThe study of the corrosion resistance of NiTi alloy surfaces with different wettabilities is important to achieve improvements in biocompatibility. In this study, a femtosecond laser was used to process different wettability surfaces on the NiTi alloy. The corrosion resistance of the surfaces was examined via potentiodynamic polarization and electrochemical impedance spectroscopy. Scanning electron microscopy and X‐ray photoelectron spectroscopy were used to analyze the morphology and chemical composition of the surfaces. The findings demonstrate that when an original oxide film is destroyed by femtosecond laser processing with a low laser fluence, hydrophilic or hydrophobic surfaces are more vulnerable to erosion. The corrosion resistance of superhydrophilic surfaces is improved to a certain extent, whereas superhydrophobic surfaces exhibit excellent corrosion resistance. Superhydrophilic surfaces are protected from further corrosion by the formation of a dense oxide film after corrosion, whereas superhydrophobic surfaces can inhibit corrosion because of their thicker oxide film and additional air film produced by air trapped in the micro/nanostructure.
Image quality models for 2D and 3D x‐ray imaging systems: A perspective vignette
Authors: Siewerdsen Jeffrey H. 
Published: December 2022

AbstractImage quality models based on cascaded systems analysis and task‐based imaging performance were an important aspect of the emergence of 2D and 3D digital x‐ray systems over the last 25 years. This perspective vignette offers cursory review of such developments and personal insights that may not be obvious within previously published scientific literature. The vignette traces such models to the mid‐1990s, when flat‐panel x‐ray detectors were emerging as a new base technology for digital radiography and benefited from the rigorous, objective characterization of imaging performance gained from such models. The connection of models for spatial resolution and noise to spatial‐frequency‐dependent descriptors of imaging task provided a useful framework for system optimization that helped to accelerate the development of new technologies to first clinical use. Extension of the models to new technologies and applications is also described, including dual‐energy imaging, photon‐counting detectors, phase contrast imaging, tomosynthesis, cone‐beam CT, 3D image reconstruction, and image registration.
Technical note: Four‐year experience with utilization of DICOM metadata analytics in clinical digital radiography practice
Authors: Long Zaiyang , Walz‐Flannigan Alisa I. , Littrell Laurel A. , Schueler Beth A. 
Published: December 2022

AbstractBackgroundDigital radiography (DR) still presents many challenges and could have complex imaging acquisition and processing patterns in a clinical practice hindering quality standardization.PurposeThis technical note aims to report the 4‐year experience with utilizing a custom DICOM metadata analytics program in clinical DR at a large institution.MethodsThirty‐eight DR systems of three vendors at multiple locations were configured to automatically send clinical DICOM images to a DICOM receiver. A suite of custom MATLAB programs was established to extract and store public and private header data weekly. Specific use cases are provided for systematic image acquisition investigation, image processing harmonization, exposure index (EI) longitudinal monitoring and EI target optimization.ResultsFor systematic acquisition investigation, an example of adult lumbar spine exam analysis was provided with statistics on manual acquisition versus the use of automatic exposure control (AEC, including AEC dose level, active cell, and backup timer), grid usage, and collimation for various projections. For processing harmonization, up to 12.6% of protocols were revealed to have processing parameter differences in an example of a mobile radiography fleet. In addition, inconsistent use of a post‐acquisition image size function was also demonstrated, which resulted in anatomy size display variations. Bimonthly monitoring of median EI values showed expected trends, including changes after an AEC dose level adjustment for adult posterior‐anterior chest imaging on a scanner system. An example of adult axillary shoulder EI target refinement was shared using the median value, eμ, based on the lognormal EI data distribution after parsing down to acquisitions with appropriate techniques.ConclusionsThis analytics program enables systematic analysis of image acquisition and processing details. The information provides invaluable insights into real practice patterns, which can support data‐driven quality standardization and optimization.
Update of the CLRP Monte Carlo TG‐43 parameter database for high‐energy brachytherapy sources
Authors: Safigholi Habib , Chamberland Marc J. P. , Taylor Randle E. P. , Martinov Martin P. , Rogers D. W. O. , Thomson Rowan M. 
Published: December 2022

AbstractPurposeTo update and extend version 2 of the Carleton Laboratory for Radiotherapy Physics (CLRP) TG‐43 dosimetry database (CLRP_TG43v2) for high‐energy (HE, ≥50 keV) brachytherapy sources (1 169Yb, 23 192Ir, 5 137Cs, and 4 60Co) using egs_brachy, an open‐source EGSnrc application. A comprehensive dataset of TG‐43 parameters is compiled, including detailed source descriptions, dose‐rate constants, radial dose functions, 1D and 2D anisotropy functions, along‐away dose‐rate tables, Primary and Scatter Separated (PSS) dose tables, and mean photon energies escaping each source. The database also documents the source models which are freely distributed with egs_brachy.Acquisition and Validation MethodsDatasets are calculated after a recoding of the source geometries using the egs++ geometry package and its egs_brachy extensions. Air kerma per history is calculated in a 100.05 cm3 voxel located 100 cm from the source along the transverse axis and then corrected for the lateral and thickness dimensions of the scoring voxel to give the air kerma on the central axis at a point 100 cm from the source's mid‐point. Full‐scatter water phantoms with varying voxel resolutions in cylindrical coordinates are used for dose calculations. Most data (except for 60Co) are based on the assumption of charged particle equilibrium and ignore the potentially large effects of electron transport very close to the source and dose from initial beta particles. These effects are evaluated for four representative sources. For validation, data are compared to those from CLRP_TG43v1 and published data.Data Format and AccessData are available at https://physics.carleton.ca/clrp/egs_brachy/seed_database_v2
or http://doi.org/10.22215/clrp/tg43v2
including in Excel (.xlsx) spreadsheets, and are presented graphically in comparisons to previously published data for each source.Potential ApplicationsThe CLRP_TG43v2 database has applications in research, dosimetry, and brachytherapy planning. This comprehensive update provides the medical physics community with more precise and in some cases more accurate Monte Carlo (MC) TG‐43 dose calculation parameters, as well as fully benchmarked and described source models which are distributed with egs_brachy.
Improved magnetic drug targeting with maximized magnetic forces and limited particle spreading
Authors: Van Durme Rikkert , Crevecoeur Guillaume , Dupré Luc , Coene Annelies 
Published: December 2022

AbstractBackgroundIn magnetic drug targeting (MDT), micro‐ or nanoparticles are injected into the human body to locally deliver therapeutics. These magnetic particles can be guided from a distance by external magnetic fields and gradients from electromagnets.PurposeDuring the particles' movement through the vascular network, they are affected by magnetic forces, fluid (drag) forces, particle interactions, diffusion, etc. Adequate targeting is hindered when drag forces overcome the magnetic forces and particles present in vessels are carried away from the targeted region. Moreover, the magnetic force directions and diffusion mechanisms can cause particles to scatter, while they should remain together for an effective targeting performance. In this work, these adverse effects are tackled using optimization methods.MethodsWe formulate an optimization problem with respect to the currents in surrounding electromagnets that aims to maximize the magnetic force on a particle along a predefined direction. A boundary on the magnetic force divergence is introduced as a constraint to limit particle spreading. We also consider particles to be moved from an initial to a target location in a finite‐time interval. To this end dynamic optimization is applied.ResultsSimulations for particles in a bifurcated vessel show an increase of particle speed by 20% and a successful movement towards the targeted regions without spreading. For the dynamic optimization, simulation results demonstrate that particle collections are accurately guided with 10 times less scattering and 10 times more particles at the target than without the divergence constraint.ConclusionsThe proposed methods significantly improve the steering and capturing of particles in a region of interest. They are applicable to any magnetic drug targeting configuration with electromagnets.
Role of gonadotropin‐releasing hormone‐II and its receptor in swine reproduction
Authors: White Brett R. , Cederberg Rebecca A. , Elsken Dorothy H. , Ross Caitlin E. , Lents Clay A. , Desaulniers Amy T. 
Published: December 2022

AbstractThe pig represents the only livestock mammal capable of producing a functional protein for the second mammalian form of gonadotropin‐releasing hormone (GnRH‐II) and its receptor (GnRHR‐II). To examine the role of GnRH‐II and its receptor in pig reproduction, we produced a unique swine line with ubiquitous knockdown of endogenous GnRHR‐II levels (GnRHR‐II knockdown [KD]), which is largely the focus of this review. In mature GnRHR‐II KD males, circulating testosterone concentrations were 82% lower than littermate control boars, despite similar luteinizing hormone (LH) levels. In addition, nine other gonadal steroids were reduced in the serum of GnRHR‐II KD boars, whereas adrenal steroids (except 11‐deoxycortisol) did not differ between lines. Interestingly, testes from GnRHR‐II KD males had fewer, hypertrophic Leydig cells and fewer, enlarged seminiferous tubules than control testes. As expected, downstream reproductive traits such as androgen‐dependent organ weights and semen characteristics were also significantly reduced in GnRHR‐II KD versus control boars. Next, we explored the importance of this novel ligand/receptor complex in female reproduction. Transgenic gilts had fewer, but heavier, corpora lutea with smaller luteal cells than littermate control females. Although the number of antral follicles were similar between lines, the diameter of antral follicles tended to be larger in GnRHR‐II KD females. In regard to steroidogenesis, circulating concentrations of progesterone and 17β‐estradiol were lower in transgenic compared to control gilts, even though serum levels of follicle‐stimulating hormone and LH were similar. Thus, GnRH‐II and GnRHR‐II represent a potential avenue to enhance fertility and promote the profitability of pork producers.
Using discrete element numerical simulation to determine effect of persistent fracture morphology on permeability stress sensitivity
Authors: Wang Chen , Zhang Cun , Li Zichen , Zhou Jie 
Published: December 2022

AbstractThe stress sensitivity of coal seams with different fracture structures affects gas migration characteristics in the fracture zone. In this study, permeability stress experiments for intact and persistent fracture coal samples are carried out. A discrete element method numerical simulation that adopts the changing joint stiffness method is proposed. Based on the experimental data, the corresponding parameters of persistent fractures and elastic joints for fluid–solid coupling simulations are determined. Subsequently, the internal influence mechanisms of fracture morphology on axial and confining stress sensitivities are determined. The simulation results show that sectional fractures with different dip angles in the persistent fracture control the sensitivity to axial and confining stresses. The horizontal segment fracture aperture decreases with an increase in axial stress, which reduces its flow capacity. This results in a decrease in the flow rates in the persistent fracture. When the confining stress increases, the vertical fracture aperture is significantly reduced, considerably reducing the flow rate in the persistent fracture.