bluuebunny/crossref_metadata_2025_split huggingface dataset:
Building materials genome from ground‐state configuration to engineering advance
Authors: Liu Zi‐Kui 
Published: November 2023

AbstractIndividual phases are commonly considered as the building blocks of materials. However, the accurate theoretical prediction of properties of individual phases remains elusive. The top‐down approach by decoding genomic building blocks of individual phases from experimental observations is nonunique. The density functional theory (DFT), as a state‐of‐the‐art solution of quantum mechanics, prescribes the existence of a ground‐state configuration at 0 K for a given system. It is self‐evident that the ground‐state configuration alone is insufficient to describe a phase at finite temperatures as symmetry‐breaking non‐ground‐state configurations are excited statistically at temperatures above 0 K. Our multiscale entropy approach (recently terms as Zentropy theory) postulates that the entropy of a phase is composed of the sum of the entropy of each configuration weighted by its probability plus the configurational entropy among all configurations. Consequently, the partition function of each configuration in statistical mechanics needs to be evaluated by its free energy rather than total energy. The combination of the ground‐state and symmetry‐breaking non‐ground‐state configurations represents the building blocks of materials and can be used to quantitatively predict free energy of individual phases with the free energy of each configuration predicted from DFT as well as all properties derived from free energy of individual phases.
Denoising magnetic resonance spectroscopy (MRS) data using stacked autoencoder for improving signal‐to‐noise ratio and speed of MRS
Authors: Wang Jing , Ji Bing , Lei Yang , Liu Tian , Mao Hui , Yang Xiaofeng 
Published: November 2023

AbstractBackgroundWhile magnetic resonance imaging (MRI) provides high resolution anatomical images with sharp soft tissue contrast, magnetic resonance spectroscopy (MRS) enables non‐invasive detection and measurement of biochemicals and metabolites. However, MRS has low signal‐to‐noise ratio (SNR) when concentrations of metabolites are in the range of millimolar. Standard approach of using a high number of signal averaging (NSA) to achieve sufficient SNR comes at the cost of a long acquisition time.PurposeWe propose to use deep‐learning approaches to denoise MRS data without increasing NSA. This method has potential to reduce the acquisition time as well as improve SNR and quality of spectra, which could enhance the diagnostic value and broaden the clinical applications of MRS.MethodsThe study was conducted using data collected from the brain spectroscopy phantom and human subjects. We utilized a stack auto‐encoder (SAE) network to train deep learning models for denoising low NSA data (NSA = 1, 2, 4, 8, and 16) randomly truncated from high SNR data collected with high NSA (NSA = 192), which were also used to obtain the ground truth. We applied both self‐supervised and fully‐supervised training approaches and compared their performance of denoising low NSA data based on improvement in SNR. To prevent overfitting, the SAE network was trained in a patch‐based manner. We then tested the denoising methods on noise‐containing data collected from the phantom and human subjects, including data from brain tumor patients. We evaluated their performance by comparing the SNR levels and mean squared errors (MSEs) calculated for the whole spectra against high SNR “ground truth”, as well as the value of chemical shift of N‐acetyl‐aspartate (NAA) before and after denoising.ResultsWith the SAE model, the SNR of low NSA data (NSA = 1) obtained from the phantom increased by 28.5% and the MSE decreased by 42.9%. For low NSA data of the human parietal and temporal lobes, the SNR increased by 32.9% and the MSE decreased by 63.1%. In all cases, the chemical shift of NAA in the denoised spectra closely matched with the high SNR spectra without significant distortion to the spectra after denoising. Furthermore, the denoising performance of the SAE model was more effective in denoising spectra with higher noise levels.ConclusionsThe reported SAE denoising method is a model‐free approach to enhance the SNR of MRS data collected with low NSA. With the denoising capability, it is possible to acquire MRS data with a few NSA, shortening the scan time while maintaining adequate spectroscopic information for detecting and quantifying the metabolites of interest. This approach has the potential to improve the efficiency and effectiveness of clinical MRS data acquisition by reducing the scan time and increasing the quality of spectroscopic data.
Proof‐of‐concept for a thin conical X‐ray target optimized for intensity and directionality for use in a carbon nanotube‐based compact X‐ray tube
Authors: Insley Ben , Bartkoski Dirk , Balter Peter , Prajapati Surendra , Tailor Ramesh , Salehpour Mohammad , Jaffray David 
Published: November 2023

AbstractBackgroundCarbon nanotube‐based cold cathode technology has revolutionized the miniaturization of X‐ray tubes. However, current applications of these devices required optimization for large, uniform fields with low intensity.PurposeThis work investigated the feasibility and radiological characteristics of a novel conical X‐ray target optimized for high intensity and high directionality to be used in a compact X‐ray tube.MethodsThe proposed device uses an ultrathin, conical tungsten‐diamond target that exhibits significant heat loading while maintaining a small focal spot size and promoting forward‐directedness of the X‐ray field through preferential attenuation of oblique‐angled photons. The electrostatic and thermal properties of the theoretical tube were calculated and analyzed using COMSOL Multiphysics software. The production, transport, and calculation of radiological properties associated with the resultant X‐ray field were performed using the Geant4 toolkit via its wrapper, TOPAS.ResultsHeat transfer analysis of this X‐ray tube demonstrated the feasibility of a 200‐kV electron beam bombarding the proposed target at a maximum current of 100 mA using a 1‐ms symmetric duty cycle. The cathode of the X‐ray tube was designed to be segmented into nine switchable electrical segments for modulation of the focal spot size from 0.4‐ to 10.8‐mm. After importing the COMSOL‐derived electron beam into TOPAS for X‐ray production simulations, radiological analysis of the resultant field demonstrated high levels of intrinsic beam collimation while maintaining high intensity. A maximum dose rate of 17,887 cGy/min was calculated for 1‐mm depth in water at 7‐cm distance.ConclusionsThe proposed X‐ray tube design can create highly directional X‐ray fields with superior fluence compared to that of current commercial X‐ray tubes of comparable size.
Quantitative diffusion imaging and genotype‐by‐sex interactions in a rat model of Alexander disease
Authors: Stowe Nicholas A. , Singh Ajay P. , Barnett Brian R. , Yi Sue Y. , Frautschi Paloma C. , Messing Albee , Hagemann Tracy L. , Yu John‐Paul J. 
Published: November 2023

AbstractPurposeThe clinical diagnosis and classification of Alexander disease (AxD) relies in part on qualitative neuroimaging biomarkers; however, these biomarkers fail to distinguish and discriminate different subtypes of AxD, especially in the presence of overlap in clinical symptoms. To address this gap in knowledge, we applied neurite orientation dispersion and density imaging (NODDI) to an innovative CRISPR‐Cas9 rat genetic model of AxD to gain quantitative insights into the neural substrates and brain microstructural changes seen in AxD and to potentially identify novel quantitative NODDI biomarkers of AxD.MethodsMulti‐shell DWI of age‐ and sex‐matched AxD and wild‐type Sprague Dawley rats (n = 6 per sex per genotype) was performed and DTI and NODDI measures calculated. A 3 × 2 × 2 analysis of variance model was used to determine the effect of genotype, biological sex, and laterality on quantitative measures of DTI and NODDI across regions of interest implicated in AxD.ResultsThere is a significant effect of genotype in the amygdala, hippocampus, neocortex, and thalamus in measures of both DTI and NODDI brain microstructure. A genotype by biological sex interaction was identified in DTI and NODDI measures in the corpus callosum, hippocampus, and neocortex.ConclusionWe present the first application of NODDI to the study of AxD using a rat genetic model of AxD. Our analysis identifies alterations in NODDI and DTI measures to large white matter tracts and subcortical gray nuclei. We further identified genotype by sex interactions, suggesting a possible role for biological sex in the neuropathogenesis of AxD.
A viscoplastic constitutive model for unsaturated soils based on nonstationary flow surface theory
Authors: Wang Hao , Cui Yu‐Jun 
Published: November 2023

AbstractA viscoplastic constitutive model is developed to describe the viscoplastic behavior of unsaturated soils. The proposed model accounts for the stain‐rate and suction effects on yield by adopting an unsaturated isotach concept. The nonstationary flow surface theory (NSFS) is applied for modeling the viscoplastic behavior, with the yield surface which can evolve with the viscoplastic strain, viscoplastic strain rate and suction. Meanwhile, the progressively hardening concept is adopted for reproducing the viscoplastic behavior of soil at an over‐consolidated state. For the validation, a series of loading conditions are considered based on the data from the literature. Results show that the proposed model is able to reproduce the main viscoplastic behaviors of unsaturated highly compacted Gaomiaozi (GMZ) bentonite, Glenroy silt and Qianjiangping landslide (QL) soil, including CRS compression tests, rate‐dependent triaxial shear tests, and triaxial creep tests.
An improved convected particle domain interpolation material point method for large deformation geotechnical problems
Authors: Wang Manling , Li Shuchen , Zhou Huiying , Wang Xiuwei , Peng Kefeng , Yuan Chao , Li Jinglong 
Published: November 2023

AbstractA novel material point method called the improved convected particle domain interpolation (ICPDI) is proposed in this paper to simulate large‐deformation problems in geotechnical engineering. The ICPDI framework is based on the existing convected particle domain interpolation (CPDI) and employs an adaptive orthogonal improved interpolating moving least square (AOIIMLS) shape functions. The AOIIMLS shape functions prevent computational instability problems caused by singular or ill‐conditioned matrices through avoiding the direct solving of inverse matrices. Additionally, ICPDI adopts the velocity gradient to calculate the velocity field in particle domains and reduces cell‐crossing errors by using AOIIMLS shape functions. To reconstruct the velocity function in the background grid, the velocities of the material points and four related corner points are employed through AOIIMLS shape functions. The bar axis‐aligned vibration, ring radial expansion, slope elasto‐plastic slumping, and post‐failure tunnel collapse behavior examples are used to verify the accuracy and effectiveness of ICPDI by comparing the results with other numerical methods and experiments. Numerical simulation results show that ICPDI outperforms the material point method (MPM) and CPDI in terms of computational accuracy and convergence while reducing cell‐crossing errors. Consequently, this study demonstrates the capability of ICPDI in simulations of large‐deformation geotechnical problems.
The normal 14–18 gestational weeks “parasagittal complex” view of the fetal brain. A 3D transvaginal neurosonographic study
Authors: Birnbaum Roee , Kuperberg Maya , Brusilov Michael , Wolman Igal , Malinger Gustavo , Haratz Karina Krajden 
Published: November 2023

AbstractObjectiveTo study the early second trimester development of brain hemispheres, lateral ventricles, choroid plexus, and ganglionic eminence/basal ganglia complex (GEBG).MethodsA retrospective analysis of TVUS 3D volumes of 14–18 gestational weeks (GW) fetuses. Hemispheres were analyzed for wall thickness, choroid plexus extension, GEBG height and length, lamination pattern (intermediate zone and the subplate border, IZ‐SP), ventricle height, width, and angle. Measurements were correlated with GW and assessed for symmetry and impact of probe resolution.ResultsWe included 84 fetuses (168 hemispheres). The CP location is variable at 14–16 GW, becoming consistently and symmetrically posterior at 18 GW. Hemispheric thickness, GEBG height and length grow significantly with fetal age, whereas ventricle height, width, and angle regress. The detection rate of the IZ‐SP line at 14, 15, 16, 17, and 18 weeks was 0%, 24%, 78.26%, 100%, and 100%, respectively. The ratio between the upper and lower segments of the cerebral lamination grows with GW. For all brain structures, the asymmetry between sides was significant only for ventricular height. The transducer type did not have a significant effect on any outcome except for ventricle height.ConclusionThese normal features of the parasagittal view should aid clinicians in fetal brain assessment during the early weeks of the second trimester.
Cost‐utility analysis of a telehealth psychological support intervention for people with primary brain tumor: Telehealth Making Sense of brain tumor
Authors: Gordon Louisa G. , Jones Stephanie , Parker Giverny , Chambers Suzanne , Aitken Joanne F. , Foote Matthew , Shum David H. K. , Robertson Julia , Conlon Elizabeth , Pinkham Mark B. , Ownsworth Tamara 
Published: November 2023

AbstractObjectiveTo undertake an economic evaluation of a telehealth psychological support intervention for patients with primary brain tumor (PBT).MethodsA within‐trial cost‐utility analysis over 6 months was performed comparing a tailored telehealth‐psychological support intervention with standard care (SC) in a randomized control trial. Data were sourced from the Telehealth Making Sense of Brain Tumor (Tele‐MAST) trial survey data, project records, and administrative healthcare claims. Quality‐adjusted life years (QALYs) were calculated based on the EuroQol‐5D‐5L. Non‐parametric bootstrapping with 2000 iterations was used to determine sampling uncertainty. Multiple imputation was used for handling missing data.ResultsThe Tele‐MAST trial included 82 participants and was conducted in Queensland, Australia during 2018–2021. When all healthcare claims were included, the incremental cost savings from Tele‐MAST were ‐AU$4,327 (95% CI: −$8637, −$18) while incremental QALY gains were small at 0.03 (95% CI: −0.02, 0.08). The likelihood of Tele‐MAST being cost‐effective versus SC was 87% at a willingness‐to‐pay threshold of AU$50,000 per QALY gain. When psychological‐related healthcare costs were included only, the incremental cost per QALY gain was AU$10,685 (95% CI: dominant, $24,566) and net monetary benefits were AU$534 (95% CI: $466, $602) with a 65% likelihood of the intervention being cost‐effective.ConclusionsBased on this small randomized controlled trial, the Tele‐MAST intervention is a cost‐effective intervention for improving the quality of life of people with PBT in Australia. Patients receiving the intervention incurred significantly lower overall healthcare costs than patients in SC. There was no significant difference in costs incurred for psychological health services.
The role of bronchial challenge test in guiding therapy in preschool children with atypical recurrent respiratory symptoms
Authors: Wolfson Yonatan , Mandelberg Avigdor , Golan‐Lagziel Tal , Sosnovsky Suzanne , Ater Dorit , Domany Keren Armoni 
Published: November 2023

AbstractObjectiveThis retrospective observational cohort study aimed to assess the real‐life application of bronchial challenge test (BCT) in the management of preschool children presenting with atypical recurrent respiratory symptoms (ARRS).MethodsWe included children aged 0.5–6 years referred to a pediatric‐pulmonology clinic who underwent BCT using methacholine or adenosine between 2012 and 2018 due to ARRS. BCT was considered positive based on spirometry results and/or wheezing, desaturation, and tachypnea reactions. We collected data on demographics, BCT results, pre‐BCT and post‐BCT treatment changes, and 3–6 months post‐BCT compliance and symptom control. The primary outcome measure was the change in treatment post‐BCT (step‐up or step‐down).ResultsA total of 228 children (55% males) with a mean age of 4.2 ± 0.6 years underwent BCT (52% adenosine‐BCT, 48% methacholine‐BCT). Children referred for methacholine were significantly younger compared with adenosine (3.6 ± 1.2 vs. 4.2 ± 1.2 years, p < .01). Methacholine and adenosine BCTs were positive in 95% and 61%, respectively. Overall, changes in management were observed in 122 (53.5%) children following BCT, with 83 (36.4%) being stepped up and 37 (17%) being stepped down. Significantly more children in the methacholine group were stepped up compared with the adenosine group (46% vs. 28%, p = .004). During the follow‐up assessment, we observed a clinical improvement in 119/162 (73.4%) of the children, with nearly 87% being compliant.ConclusionThis study demonstrates the importance of BCT in the management of preschool children presenting to pediatric pulmonary units with ARRS. The change in treatment and subsequent clinical improvement observed highlight the added value of BCT to the pulmonologist.
Enantioselective metabolism of fenpropathrin enantiomers by carboxyl/choline esterase 6 in Tetranychus cinnabarinus
Authors: Yang Furong , Ran Lulu , He Yuhan , Xu Zhifeng , He Lin , Zhang Ping 
Published: November 2023

AbstractBACKGROUNDTetranychus cinnabarinus is a polyphagous pest mite commonly found in agriculture. As an excellent acaricide, fenpropathrin (FEN) is frequently used to control T. cinnabarinus in agriculture. However, commercial FEN is a racemate with two enantiomers, R‐FEN and S‐FEN. Considering that investigations on the metabolism of FEN by T. cinnabarinus are based on racemate FEN, it is important to investigate the enantioselective metabolism of FEN in T. cinnabarinus.RESULTSS‐FEN was more toxic to T. cinnabarinus than R‐FEN by more than 68.8‐fold. Moreover, the synergist bioassay revealed that carboxylesterase and cytochrome P450 were the primary enzymes engaged in the detoxification of FEN in T. cinnabarinus, with carboxylesterase playing a leading role. Seven genes were substantially different after the induction of S‐FEN and R‐FEN. TcCCE06 was screened and selected as a key gene that related to FEN metabolism in T. cinnabarinus. The metabolic results showed that the recombinant TcCCE06 effectively metabolized 32.1% of the R‐FEN and 13.8% of the S‐FEN within 4 h of incubation. Moreover, R‐FEN was demonstrated to have a higher affinity for the TcCCE06 protein than S‐FEN based on molecular docking.CONCLUSIONOur results indicated that TcCCE06 mediates the enantioselective metabolism of FEN in T. cinnabarinus. Our findings will contribute to a more comprehensive understanding of the mechanisms underlying the differential toxicity of the FEN enantiomers against T. cinnabarinus. Furthermore, they also provide a new perspective for the development of enantiomer‐enriched acaricides with higher activity and lower pesticide dosage and pollution risks. © 2023 Society of Chemical Industry.
Volatile fingerprints of beef cooking methods using sol–gel‐based solid‐phase microextraction (SPME) and direct analysis in real‐time mass spectrometry (DART‐MS)
Authors: Subbaraj Arvind K. , Deb‐choudhury Santanu , Pavan Enrique , Realini Carolina E. 
Published: November 2023

RationaleThe aroma profile of food is a complex mixture of volatile compounds that constitutes a major component of the overall eating experience. The food service industry and chefs therefore constantly seek ways to investigate and thereby enhance the aroma profile. Oven cooking, sous vide and pan fry are three cooking methods of beef commonly practised by chefs. Near real‐time analysis of volatile compounds from these three cooking methods will provide insight into respective volatile fingerprints and help improve cooking techniques.MethodsVolatile compounds from three beef cooking methods were captured using an in‐house sol–gel based solid phase microextraction (SPME) method and analysed using direct analysis in real‐time mass spectrometry (DART‐MS). A volatile organic compound (VOC) standard was used to demonstrate successful implementation of the sol–gel coating technique. Volatile features discriminating the three cooking methods were shortlisted and statistically assessed by univariate and multivariate analyses.ResultsThe VOC standard was successfully adsorbed by the sol–gel method and detected by DART‐MS. Hierarchical cluster analysis clearly demarcated three beef cooking methods based on their volatile fingerprints. Out of 65 significant features differentiating the cooking methods, 50 were at highest concentrations from pan‐fry cooking only, followed by 14 with highest concentrations from oven cooking followed by pan frying. Sous vide followed by pan frying showed lowest concentrations of almost all volatile features.ConclusionsThe sol–gel‐based solid‐phase microextraction technique combined with DART‐MS was successful in differentiating beef cooking methods based on their volatile fingerprints. A workflow for rapid assessment of the volatile profile from beef cooking methods was established, providing a baseline to further explore volatile profiles from other key ingredients.
Dissection of the antitumor mechanism of tetrandrine based on metabolite profiling and network pharmacology
Authors: Liu Cheng‐Jun , Li Hong‐Xin , Zhang Yong‐Ming , Shi Wei , Zhang Feng‐Xiang 
Published: November 2023

RationaleTetrandrine, the Q‐marker in Stephaniae Tetrandrae Radix, was proven to present an obvious antitumor effect. Until now, the metabolism and antitumor mechanism of tetrandrine have not been fully elucidated.MethodsThe metabolites of tetrandrine in rats were profiled using ultra‐high‐performance liquid chromatography coupled with time‐of‐flight mass spectrometry. The potential antitumor mechanism of tetrandrine in vivo was predicted using network pharmacology.ResultsA total of 30 metabolites were characterized in rats after ingestion of tetrandrine (10 mg/kg), including 0 in plasma, 7 in urine, 11 in feces, 9 in liver, 8 in spleen, 4 in lung, 5 in kidney, 5 in heart, and 4 in brain. This study was the first to show the metabolic processes demethylation, hydroxylation, and carbonylation in tetrandrine. The pharmacology network results showed that tetrandrine and its metabolites could regulate AKT1, TNF, MMP9, MMP2, PAK1, and so on by involving in proteoglycan tumor pathway, PI3K‐Akt signaling pathway, tumor pathway, MAPK signaling pathway, and Rap1 signaling pathway.ConclusionsThe metabolism features of tetrandrine and its potential antitumor mechanism were summarized, providing data for further pharmacological validation.