bluuebunny/crossref_metadata_2025 huggingface dataset:
Role of periosteum in alveolar bone regeneration comparing with collagen membrane in a buccal dehiscence model of dogs
Authors: Ma Zhigui , Guo Ke , Chen Lu , Chen Xinwei , Zou Duohong , Yang Chi
Published: February 2023

To investigate the role of periosteum on the treatment of buccal dehiscence defects comparing with collagen membrane in canine model. Bilateral dehiscence-type defects at the buccal side on the distal root of the lower 3rd/4th premolars were created in six beagle dogs with a total of 24 defects and assigned into three groups: Group A: blood clot in an untreated defect; Group B: deproteinized bovine bone material (DBBM) covered with an absorbable membrane; Group C: DBBM covered with the periosteum. The structural parameters for trabecular architecture and vertical bone regeneration were evaluated. Histological and histomorphometric evaluation were carried out to observe new bone formation and mineralization in the graft site. Immunohistochemical analysis was performed to identify the expression of osteopontin (OPN) and osteocalcin (OCN) at postoperative 3 months. Group C achieved greater vertical alveolar bone gain than that of group A and group B. The periosteum-covered group showed significantly greater new bone formation and accelerated mineralization. The greater immunolabeling for OPN and OCN was observed in group C than in group A. Periosteal coverage has explicit advantages over collagen membranes for the quality and quantity of new bone regeneration in dehiscence defects repairing.
Persistent homology analysis distinguishes pathological bone microstructure in non-linear microscopy images
Authors: Pritchard Ysanne , Sharma Aikta , Clarkin Claire , Ogden Helen , Mahajan Sumeet , Sánchez-García Rubén J.
Published: February 2023

We present a topological method for the detection and quantification of bone microstructure from non-linear microscopy images. Specifically, we analyse second harmonic generation (SHG) and two photon excited autofluorescence (TPaF) images of bone tissue which capture the distribution of matrix (fibrillar collagen) structure and autofluorescent molecules, respectively. Using persistent homology statistics with a signed Euclidean distance transform filtration on binary patches of images, we are able to quantify the number, size, distribution, and crowding of holes within and across samples imaged at the microscale. We apply our methodology to a previously characterized murine model of skeletal pathology whereby vascular endothelial growth factor expression was deleted in osteocalcin-expressing cells (OcnVEGFKO) presenting increased cortical porosity, compared to wild type (WT) littermate controls. We show significant differences in topological statistics between the OcnVEGFKO and WT groups and, when classifying the males, or females respectively, into OcnVEGFKO or WT groups, we obtain high prediction accuracies of 98.7% (74.2%) and 77.8% (65.8%) respectively for SHG (TPaF) images. The persistence statistics that we use are fully interpretable, can highlight regions of abnormality within an image and identify features at different spatial scales.
The combination of polyphenols and phospholipids as an efficient platform for delivery of natural products
Authors: Hashemzadeh Hassan , Hanafi-Bojd Mohammad Yahya , Iranshahy Milad , Zarban Asghar , Raissi Heidar
Published: February 2023

Although nature is a rich source of potential drugs and drug leads, the widespread application of natural products (NPs) is limited due to their poor absorption when administered orally. A strategy of using phytosome has emerged as a promising technique to increase the bioavailability of NPs. Here, a comprehensive computational investigation is performed to explore the nature of interactions in the formation of phytosomes between phosphatidylcholine (PC) and a series of polyphenols (PP), including epigallocatechin-3-gallate (Eg), luteolin (Lu), quercetin (Qu), and resveratrol (Re). Our quantum mechanical calculation revealed that the intermolecular hydrogen bonds (HBs) of phosphate and glycerol parts of PC with the polyphenol compounds are the main driving force in the formation of phytosomes. The strongest HB (with energy HB = − 108.718 kJ/mol) is formed between the Eg molecule and PC. This hydrogen bond results from the flexible structure of the drug which along with several van der Waals (vdW) interactions, makes Eg-PC the most stable complex (adsorption energy = − 164.93 kJ/mol). Energy decomposition analysis confirms that the electrostatic interactions (hydrogen bond and dipole-diploe interactions) have a major contribution to the stabilization of the studied complexes. The obtained results from the molecular dynamics simulation revealed that the formation of phytosomes varies depending on the type of polyphenol. It is found that the intermolecular hydrogen bonds between PP and PC are a key factor in the behavior of the PP-PC complex in the self-aggregation of phytosome. In Eg-PC, Lu-PC, and Qu-PC systems, the formation of strong hydrogen bonds (HBCP < 0 and ∇2ρBCP > 0) between PP and PC protects the PP-PC complexes from degradation. The steered molecular dynamics simulation results have a good agreement with experimental data and confirm that the phytosome platform facilitates the penetration of PP compounds into the membrane cells.
Antioxidant enzymes that target hydrogen peroxide are conserved across the animal kingdom, from sponges to mammals
Authors: Hewitt Olivia H. , Degnan Sandie M.
Published: February 2023

Oxygen is the sustenance of aerobic life and yet is highly toxic. In early life, antioxidants functioned solely to defend against toxic effects of reactive oxygen species (ROS). Later, as aerobic metabolisms evolved, ROS became essential for signalling. Thus, antioxidants are multifunctional and must detoxify, but also permit ROS signalling for vital cellular processes. Here we conduct metazoan-wide genomic assessments of three enzymatic antioxidant families that target the predominant ROS signaller, hydrogen peroxide: namely, monofunctional catalases (CAT), peroxiredoxins (PRX), and glutathione peroxidases (GPX). We reveal that the two most evolutionary ancient families, CAT and PRX, exhibit metazoan-wide conservation. In the basal animal lineage, sponges (phylum Porifera), we find all three antioxidant families, but with GPX least abundant. Poriferan CATs are distinct from bilaterian CATs, but the evolutionary divergence is small. Amongst PRXs, subfamily PRX6 is the most conserved, whilst subfamily AhpC-PRX1 is the largest; PRX4 is the only core member conserved from sponges to mammals and may represent the ancestral animal AhpC-PRX1. Conversely, for GPX, the most recent family to arise, only the cysteine-dependent subfamily GPX7 is conserved across metazoans, and common across Porifera. Our analyses illustrate that the fundamental functions of antioxidants have resulted in gene conservation throughout the animal kingdom.
A comparative study of effects of curcumin and its nanoparticles on the growth, immunity and heat stress resistance of Nile tilapia (Oreochromis niloticus)
Authors: Abdel-Ghany Heba M. , El-Sisy Doaa M. , Salem Mohamed El-S.
Published: February 2023

This study evaluated the effects of dietary supplementation with free- or nano-curcumin on the growth performance, immune status and heat stress resistance of Nile tilapia (Oreochromis niloticus). Seven isonitrogenous (28% protein) and isocaloric (445 kcal/100 g DM) diets were prepared. Six diets were supplemented with three levels of nano-curcumin (50 (CN50), 100 (CN100), 200 (CN200) mg kg−1diet) or free-curcumin (50 (C50), 100 (C100), 200 (C200) mg kg−1diet), and the control diet was left without an additive (CON). Fish (13.54 ± 0.32 g) (mean ± SD) fed the experimental diets for 65 days. Following the feeding trial, the fish were exposed to the acute heat stress by gradually raising the water temperature from 25 to 40 °C within 3 h. The fish were then exposed to 40 °C for 4 h. Results revealed the superiority of nano-curcumin over its free-form in enhancing the growth performance, with the highest results obtained at CN100, followed by CN200. Only heat stress, not the experimental diets, increased the platelets, mean corpuscular volume (MCV), mean corpuscular hemoglobin (MCH), leukocytes and neutrophils count, while lymphocytes decreased. The CN50 and CN100 groups showed lower activity of liver enzymes (alanine aminotransferase (ALT) and aspartate aminotransferase (AST)) than the other treatments, while C200 gave the highest activity of these enzymes. The highest immunoglobulin (IgM) levels were detected in CN100, CN200, C100 and C200, followed by CN50. The C200 group showed higher levels of complement 3 and complement 4 (C3 and C4, respectively) than the other treatments. The C50 and CON groups gave the lowest values of IgM, C3 and C4. Cortisol levels were significantly lower in the CN50 and CN100 groups compared to the other groups. After the heat stress, ALT, AST, IgM, C3, C4, cortisol and glucose increased. Thus, nano-curcumin is more effective than its free-form in enhancing the resistance to heat stress, inducing innate immunity, lowering the stress indicators and promoting growth performance of Nile tilapia with the best concentration at 100 mg kg−1diet.
Isotherm and kinetic studies of cadmium biosorption and its adsorption behaviour in multi-metals solution using dead and immobilized archaeal cells
Authors: Hegazy Ghada E. , Soliman Nadia A. , Ossman Mona E. , Abdel-Fattah Yasser R. , Moawad Madelyn N.
Published: February 2023

It is crucial to identify more biological adsorbents that can efficiently uptake metals from wastewater. Dry haloalkaliphilic archaea Natronolimnobius innermongolicuswas evaluated for Cd ions biosorption. The optimal operating conditions (pH, biomass dose, initial metal concentration, contact time, and isotherms models) were tested. Biosorption process is influenced by the metal's solution pH with maximum removal of 83.36% being achieved at pH 8. Cadmium ions uptake reaches equilibrium in about 5 min of biosorption process. The Langmuir model was determined to better fit the Cd(II) biosorption by dry archaea. The maximal uptake capacity (qmax) of Cd(II) was 128.21 mg/g. The effect of multi-component system on biosorption behaviour of Pb, Ni, Cu, Fe, and Cd ions by immobilized dried archaeal cells, dried archaeal cells, and dried bryozoa was studied using Plackett–Burman experimental design. The investigated biosorbents were effective at removing metals from contaminated systems, particularly for Fe, Pb, and Cd ions. Moreover, the interaction behaviour of these metals was antagonistic, synergistic, or non-interactive in multi-metals system. SEM, EDX, and FTIR spectra revealed changes in surface morphology of the biomass through the biosorption process. Finally, continuous adsorption experiment was done to examine the ability of immobilized biomass to adsorb metals from wastewater.
A deep-learning approach for reconstructing 3D turbulent flows from 2D observation data
Authors: Yousif Mustafa Z. , Yu Linqi , Hoyas Sergio , Vinuesa Ricardo , Lim HeeChang
Published: February 2023

Turbulence is a complex phenomenon that has a chaotic nature with multiple spatio-temporal scales, making predictions of turbulent flows a challenging topic. Nowadays, an abundance of high-fidelity databases can be generated by experimental measurements and numerical simulations, but obtaining such accurate data in full-scale applications is currently not possible. This motivates utilising deep learning on subsets of the available data to reduce the required cost of reconstructing the full flow in such full-scale applications. Here, we develop a generative-adversarial-network (GAN)-based model to reconstruct the three-dimensional velocity fields from flow data represented by a cross-plane of unpaired two-dimensional velocity observations. The model could successfully reconstruct the flow fields with accurate flow structures, statistics and spectra. The results indicate that our model can be successfully utilised for reconstructing three-dimensional flows from two-dimensional experimental measurements. Consequently, a remarkable reduction in the complexity of the experimental setup and the storage cost can be achieved.
The association between shift work and the incidence of reflux esophagitis in Korea: a cohort study
Authors: Nam Min-Woo , Lee Yesung , Mun Eunchan , Lee Woncheol
Published: February 2023

Shift work has adverse health effects such as diabetes, cardiovascular disease, sleep disturbance, depression, and breast cancer. Gastro-esophageal reflux disease (GERD) results in lesions such as reflux esophagitis (RE) and Barrett’s esophagus. This study investigated the association between shift work and RE. A cohort study was conducted with 140,553 participants who were followed up at least once from 2012 to 2018. Type of working and shift types were collected using standardized questionnaires. Esophagogastroduodenoscopy (EGD) was performed by experienced endoscopists who were blinded to the aims of this study. According to the Los Angeles classification, RE was categorized based on the extent of esophageal mucosal breaks. During the 469,217.2 person-years of follow-up, 35,185 participants developed incident cases of RE. The multivariable adjusted hazard ratio (95% confidence intervals) for incident cases comparing shift work to fixed day work was 1.09 (1.04–1.13). This association was more strongly observed in the younger age group (18–39 years old) and the female group. In conclusion, shift work was significantly associated with the incidence of RE. Particularly, the results were more significant in the younger and female groups.
Whole-genome sequencing-based analyses of drug-resistant Mycobacterium tuberculosis from Taiwan
Authors: Xiao Yu-Xin , Liu Kuang-Hung , Lin Wan-Hsuan , Chan Tai-Hua , Jou Ruwen
Published: February 2023

Drug-resistant tuberculosis (DR-TB) posed challenges to global TB control. Whole-genome sequencing (WGS) is recommended for predicting drug resistance to guide DR-TB treatment and management. Nevertheless, data are lacking in Taiwan. Phenotypic drug susceptibility testing (DST) of 12 anti-TB drugs was performed for 200 Mycobacterium tuberculosis isolates. WGS was performed using the Illumina platform. Drug resistance profiles and lineages were predicted in silico using the Total Genotyping Solution for TB (TGS-TB). Using the phenotypic DST results as a reference, WGS-based prediction demonstrated high concordance rates of isoniazid (95.0%), rifampicin (RIF) (98.0%), pyrazinamide (98.5%) and fluoroquinolones (FQs) (99.5%) and 96.0% to 99.5% for second-line injectable drugs (SLIDs); whereas, lower concordance rates of ethambutol (87.5%), streptomycin (88.0%) and ethionamide (84.0%). Furthermore, minimum inhibitory concentrations confirmed that RIF rpoB S450L, FQs gyrA D94G and SLIDs rrs a1401g conferred high resistance levels. Besides, we identified lineage-associated mutations in lineage 1 (rpoB H445Y and fabG1 c-15t) and predominant lineage 2 (rpoB S450L and rpsL K43R). The WGS-based prediction of drug resistance is highly concordant with phenotypic DST results and can provide comprehensive genetic information to guide DR-TB precision therapies in Taiwan.
Weakly supervised semantic segmentation for MRI: exploring the advantages and disadvantages of class activation maps for biological image segmentation with soft boundaries
Authors: Syed Shaheen , Anderssen Kathryn E. , Stormo Svein Kristian , Kranz Mathias
Published: February 2023

Fully supervised semantic segmentation models require pixel-level annotations that are costly to obtain. As a remedy, weakly supervised semantic segmentation has been proposed, where image-level labels and class activation maps (CAM) can detect discriminative regions for specific class objects. In this paper, we evaluated several CAM methods applied to different convolutional neural networks (CNN) to highlight tissue damage of cod fillets with soft boundaries in MRI. Our results show that different CAM methods produce very different CAM regions, even when applying them to the same CNN model. CAM methods that claim to highlight more of the class object do not necessarily highlight more damaged regions or originate from the same high discriminatory regions, nor do these damaged regions show high agreement across the different CAM methods. Additionally, CAM methods produce damaged regions that do not align with external reference metrics, and even show correlations contrary to what can be expected.
Generalizability and performance of methods to detect non-wear with free-living accelerometer recordings
Authors: Skovgaard Esben Lykke , Roswall Malthe Andreas , Pedersen Natascha Holbæk , Larsen Kristian Traberg , Grøntved Anders , Brønd Jan Christian
Published: February 2023

Wearable physical activity sensors are widely used in research and practice as they provide objective measures of human behavior at a low cost. An important challenge for accurate assessment of physical activity behavior in free-living is the detection non-wear. Traditionally, heuristic algorithms that rely on specific interval lengths have been employed to detect non-wear time; however, machine learned models are emerging. We explore the potential of detecting non-wear using decision trees that combine raw acceleration and skin temperature, and we investigate the generalizability of our models, traditional heuristic algorithms, and recently developed machine learned models by external validation. The Decision tree models were trained using one week of data from thigh- and hip-worn accelerometers from 64 children. External validation was performed using data from wrist-worn accelerometers of 42 adolescents. For non-wear episodes longer than 60 min, the heuristic algorithms performed the best with F1-scores above 0.96. However, regarding episodes shorter than 60 min, the best performing method was the decision tree model including the six most important predictors with F1 scores above 0.74 for all sensor locations. We conclude that for classifying non-wear time, researchers should carefully select an appropriate method and we encourage the use of external validation when reporting on machine learned non-wear models.
Attention-assisted hybrid 1D CNN-BiLSTM model for predicting electric field induced by transcranial magnetic stimulation coil
Authors: Sathi Khaleda Akhter , Hosain Md Kamal , Hossain Md. Azad , Kouzani Abbas Z.
Published: February 2023

Deep learning-based models such as deep neural network (DNN) and convolutional neural network (CNN) have recently been established as state-of-the-art for enumerating electric fields from transcranial magnetic stimulation coil. One of the main challenges related to this electric field enumeration is the prediction time and accuracy. Despite the low computational cost, the performance of the existing prediction models for electric field enumeration is quite inefficient. This study proposes a 1D CNN-based bi-directional long short-term memory (BiLSTM) model with an attention mechanism to predict electric field induced by a transcranial magnetic stimulation coil. The model employs three consecutive 1D CNN layers followed by the BiLSTM layer for extracting deep features. After that, the weights of the deep features are redistributed and integrated by the attention mechanism and a fully connected layer is utilized for the prediction. For the prediction purpose, six input features including coil turns of single wing, coil thickness, coil diameter, distance between two wings, distance between head and coil position, and angle between two wings of coil are mapped with the output of the electric field. The performance evaluation is conducted based on four verification metrics (e.g. R2, MSE, MAE, and RMSE) between the simulated data and predicted data. The results indicate that the proposed model outperforms existing DNN and CNN models in predicting the induced electrical field with R2 = 0.9992, MSE = 0.0005, MAE = 0.0188, and RMSE = 0.0228 in the testing stage.
Identification of a hypoxia-related gene prognostic signature in colorectal cancer based on bulk and single-cell RNA-seq
Authors: Qiao Yihuan , Jiang Xunliang , Li Yaoting , Wang Ke , Chen Rujie , Liu Jun , Du Yongtao , Sun Li , Li Jipeng
Published: February 2023

Colorectal cancer (CRC) is the most common and fatal tumor in the gastrointestinal system. Its incidence and mortality rate have increased in recent years. Hypoxia, a persistent physiological tumor feature, plays a vital role in CRC tumorigenesis, metastasis, and tumor microenvironment (TME). Therefore, we constructed a hypoxia-related gene (HRG) nomogram to predict overall survival (OS) and explored the role of HRGs in the CRC TME. The Cancer Genome Atlas (TCGA) dataset was used as the training set, and two Gene Expression Omnibus datasets (GSE39582 and GSE103479) were used as the testing sets. HRGs were identified using the Gene Set Enrichment Analysis (GSEA) database. An HRG prognostic model was constructed in the training set using the least absolute shrinkage and selection operator regression algorithm and validated in the testing sets. Then, we analyzed tumor-infiltrating cells (TICs) using the cell-type identification by estimating relative subsets of RNA transcripts (CIBERSORT) algorithm. Furthermore, single-cell next-generation RNA sequencing (RNA-seq) was used to investigate HRG expression in different TICs in the GSE139555 dataset. Finally, reverse transcription polymerase chain reactions (RT-PCR) were used to validate HRG mRNA expression in ten pairs of CRC normal and cancer tissue samples. A six HRG prognostic signature was constructed, with a superior OS prediction ability in CRC patients (area under the receiver operating characteristic curve (AUC) at one year: 0.693, AUC at three years: 0.712, and AUC at five years: 0.780). GSEA enrichment analysis identified six pathways enriched in the high-risk group. The TIC analysis indicated that the high-risk group had lower T-cell expression and higher neutrophil expression than the low-risk group. Furthermore, immune-related genes had an inseparable relationship with the HRG prognostic signature. Based on single-cell RNA-seq data, we found elevated hexokinase 1 (HK1) and glucose-6-phosphate isomerase (GPI) gene expression in natural killer (NK) and CD8+ T cells. RT-PCR in ten CRC normal-tumor tissue pairs showed that expression of the signature’s six HRGs varied differently in cancerous and paracancerous tissues. The constructed HRG signature successfully predicted the OS of whole-stage CRC patients. In addition, we showed that the signature’s six HRGs were closely associated with the TME in CRC, where hypoxia inhibits the antitumor function of T cells.
Precision dual-comb spectroscopy using wavelength-converted frequency combs with low repetition rates
Authors: Sugiyama Yohei , Kashimura Tsubasa , Kashimoto Keiju , Akamatsu Daisuke , Hong Feng-Lei
Published: February 2023

Precision spectroscopy contributed significantly to the development of quantum mechanics in its early stages. In the twenty-first century, precision spectroscopy has played an important role in several fields, including fundamental physics, precision measurement, environmental monitoring, and medical diagnostics. An optical frequency comb is indispensable in determining the frequency axis in precision spectroscopy and it is useful as a light source for spectroscopy. Dual-comb spectroscopy uses two frequency combs with slightly different repetition rates and has the potential to surpass conventional Fourier-transform infrared spectrometers. The resolution of dual-comb spectroscopy is limited by the frequency spacing of the comb components, that is, the repetition rate of the comb. We demonstrate dual-comb spectroscopy in the visible-wavelength region using wavelength-converted frequency combs from Er-doped fiber combs. The repetition rates of the combs are relatively low at 19.8 MHz, resulting in relatively high resolution in the dual-comb spectroscopy. The observed spectral shape in dual-comb spectroscopy agrees well with the fitting result based on the hyperfine structure of molecular iodine. The realized dual-comb spectroscopy using wavelength-converted Er-doped fiber combs is reliable (maintenance free) and applicable in other experiments at visible wavelengths.
Effect of contact vector direction on achieving cavotricuspid isthmus block
Authors: Sumi Hitoshi , Hoshiyama Tadashi , Morihisa Kenji , Noda Katsuo , Kaneko Shozo , Kanazawa Hisanori , Ishii Masanobu , Fujisue Koichiro , Sueta Daisuke , Takashio Seiji , Usuku Hiroki , Matsushita Kenichi , Tsujita Kenichi
Published: February 2023

Cavotricuspid isthmus (CTI) ablation is an important treatment strategy for CTI-dependent atrial flutter (AFL). The location of the catheter contact area is confirmed by the contact vector direction (CVD) through three-dimensional mapping during the procedure. However, the relationship between CVD during radiofrequency ablation and its efficacy in achieving CTI block has not been clarified. This study aimed to investigate the relationship between CVD and efficacy in achieving CTI block. CVDs during radiofrequency ablation were divided into proximal vectors against the distal tip (P-vector) and other vectors (normal-vector). In 39 patients who underwent CTI linear ablation, the CTIs were divided into two segments: the tricuspid valve area (anterior) and inferior vena cava area (posterior). The frequency of the residual conduction gap was compared between segments in which the P- and normal-vectors were observed. P-vectors were observed in 13 of the 78 segments. The median ablation index was not significantly different between segments in which the P-vector and normal-vector were observed (398.2 [384.2–402.2] vs. 393.3 [378.3–400.1], p = 0.15). However, residual conduction gaps were significantly more frequently observed in the segment in which the P-vector was observed than those in which only the normal-vector was observed (6/13, 46.2% vs. 3/65, 4.6%; p < 0.01). During a 6-month follow-up, two patients required a second session of ablation due to AFL recurrence. A residual conduction gap was observed in one patient at the site where the P-vector was observed in the first session. Avoiding the P-vector might be an important factor in improving CTI block and reducing AFL recurrence.
Muscle fat replacement and contractility in patients with skeletal muscle sodium channel disorders
Authors: Pedersen Jonas Jalili , Stemmerik Mads Godtfeldt , Jacobsen Laura Nørager , Skriver Sofie Vinther , Wilms Gustav Rhode , Duno Morten , Vissing John
Published: February 2023

Skeletal muscle sodium channel disorders give rise to episodic symptoms such as myotonia and/or periodic paralysis. Chronic symptoms with permanent weakness are not considered characteristic of the phenotypes. Muscle fat replacement represents irreversible damage that inevitably will impact on muscle strength. This study investigates muscle fat replacement and contractility in patients with pathogenic SCN4A variants compared to healthy controls. T1-weighted and 2-point Dixon MRI of the legs were conducted to assess fat replacement. Stationary dynamometry was used to assess muscle strength. Contractility was determined by maximal muscle contraction divided by cross-sectional muscle area. The average cross-sectional intramuscular fat fraction was greater in patients compared with controls by 2.5% in the calves (95% CI 0.74–4.29%, p = 0.007) and by 2.0% in the thighs (95% CI 0.75–3.2%, p = 0.003). Muscle contractility was less in patients vs. controls by 14–27% (p < 0.05). Despite greater fat fraction and less contractility, absolute strength was not significantly less. This study quantitatively documents greater fat fraction and additionally describes difference in muscle contractility in a large cohort of patients with skeletal muscle sodium channel disorders. The clinical impact of these abnormal findings is likely limited as muscle hypertrophy in the patients served to preserve absolute muscle strength. Subgroup analysis indicated significant difference in phenotype by genotype, however these findings lack statistical significance and serve as inspiration for future researchers to probe into the geno- phenotype relationship in these disorders.

Trial registration: The study was registered at http://clinicaltrials.gov (identifier: NCT04808388).
Static friction coefficient depends on the external pressure and block shape due to precursor slip
Authors: Iwashita Wataru , Matsukawa Hiroshi , Otsuki Michio
Published: February 2023

Amontons’ law states that the maximum static friction force on a solid object is proportional to the loading force and is independent of the apparent contact area. This law indicates that the static friction coefficient does not depend on the external pressure or object shape. Here, we numerically investigate the sliding motion of a 3D viscoelastic block on a rigid substrate using the finite element method (FEM). The macroscopic static friction coefficient decreases with an increase in the external pressure, length, or width of the object, which contradicts Amontons’ law. Precursor slip occurs in the 2D interface between the block and substrate before bulk sliding. The decrease in the macroscopic static friction coefficient is scaled by the critical area of the precursor slip. A theoretical analysis of the simplified models reveals that bulk sliding results from the instability of the quasi-static precursor slip caused by velocity-weakening local friction. We also show that the critical slip area determines the macroscopic static friction coefficient, which explains the results of the FEM simulation.
Acquisition of new function through gene duplication in the metallocarboxypeptidase family
Authors: Fajardo Daniel , Saint Jean Ritchie , Lyons Peter J.
Published: February 2023

Gene duplication is a key first step in the process of expanding the functionality of a multigene family. In order to better understand the process of gene duplication and its role in the formation of new enzymes, we investigated recent duplication events in the M14 family of proteolytic enzymes. Within vertebrates, four of 23 M14 genes were frequently found in duplicate form. While AEBP1, CPXM1, and CPZ genes were duplicated once through a large-scale, likely whole-genome duplication event, the CPO gene underwent many duplication events within fish and Xenopus lineages. Bioinformatic analyses of enzyme specificity and conservation suggested a greater amount of neofunctionalization and purifying selection in CPO paralogs compared with other CPA/B enzymes. To examine the functional consequences of evolutionary changes on CPO paralogs, the four CPO paralogs fromXenopus tropicaliswere expressed in Sf9 and HEK293T cells. Immunocytochemistry showed subcellular distribution of Xenopus CPO paralogs to be similar to that of human CPO. Upon activation with trypsin, the enzymes demonstrated differential activity against three substrates, suggesting an acquisition of new function following duplication and subsequent mutagenesis. Characteristics such as gene size and enzyme activation mechanisms are possible contributors to the evolutionary capacity of the CPO gene.
Federated blockchain system (FBS) for the healthcare industry
Authors: Mohey Eldin Ashraf , Hossny Eman , Wassif Khaled , Omara Fatma A.
Published: February 2023

Blockchain is a distributed technology that introduced the well known Bitcoin cryptocurrency into action. Blockchain has been considered for research by many countries and industries. It is being applied in many fields such as the healthcare domain. Many companies started using Blockchain to increase the security and privacy of the Electronic Healthcare Records for their patients. The work in this paper discusses some existing healthcare problems and challenges. In addition, the paper reviews some related work models and provides a comparison that shows their objectives and limitations. Also, a proposed Federated Blockchain System (FBS) is introduced to provide solutions for these healthcare problems and elaborates the technical details of the system architecture. Moreover, the effectiveness of the system has been validated which showed an average of 68–100 ms for performing query operations and average of 0.944–19.041 s for performing writing operations on the system. Finally, a discussion of the system validation and future work are presented.
A physics-informed neural network based on mixed data sampling for solving modified diffusion equations
Authors: Fang Qian , Mou Xuankang , Li Shiben
Published: February 2023

We developed a physics-informed neural network based on a mixture of Cartesian grid sampling and Latin hypercube sampling to solve forward and backward modified diffusion equations. We optimized the parameters in the neural networks and the mixed data sampling by considering the squeeze boundary condition and the mixture coefficient, respectively. Then, we used a given modified diffusion equation as an example to demonstrate the efficiency of the neural network solver for forward and backward problems. The neural network results were compared with the numerical solutions, and good agreement with high accuracy was observed. This neural network solver can be generalized to other partial differential equations.
A hybrid multi-objective optimization of functional ink composition for aerosol jet 3D printing via mixture design and response surface methodology
Authors: Zhang Haining , Liu Zhixin , Yin Shuai , Xu Haifeng
Published: February 2023

The limited electrical performance of microelectronic devices caused by low inter-particle connectivity and inferior printing quality is still the greatest hurdle to overcome for Aerosol jet printing (AJP) technology. Despite the incorporation of carbon nanotubes (CNTs) and specified solvents into functional inks can improve inter-particle connectivity and ink printability respectively, it is still challenging to consider multiple conflicting properties in mixture design simultaneously. This research proposes a novel hybrid multi-objective optimization method to determine the optimal functional ink composition to achieve low electrical resistivity and high printed line quality. In the proposed approach, silver ink, CNTs ink and ethanol are blended according to mixture design, and two response surface models (ReSMs) are developed based on the Analysis of Variance. Then a desirability function method is employed to identify a 2D optimal operating material window to balance the conflicting responses. Following that, the conflicting objectives are optimized in a more robust manner in the 3D mixture design space through the integration of a non-dominated sorting genetic algorithm III (NSGA-III) with the developed ReSMs and the corresponding statistical uncertainty. Experiments are conducted to validate the effectiveness of the proposed approach, which extends the methodology of designing materials with multi-component and multi-property in AJP technology.
Survival improvement for patients with metastatic colorectal cancer over twenty years
Authors: Zeineddine Fadl A. , Zeineddine Mohammad A. , Yousef Abdelrahman , Gu Yue , Chowdhury Saikat , Dasari Arvind , Huey Ryan W. , Johnson Benny , Kee Bryan , Lee Michael S. , Morelli Maria Pia , Morris Van K. , Overman Michael J. , Parseghian Christine , Raghav Kanwal , Willis Jason , Wolff Robert A. , Kawaguchi Yoshikuni , Vauthey Jean-Nicolas , Sun Ryan , Kopetz Scott , Shen John Paul
Published: February 2023

Over the past two decades of successive clinical trials in metastatic colorectal cancer (CRC), the median overall survival of both control and experimental arms has steadily improved. However, the incremental change in survival for metastatic CRC patients not treated on trial has not yet been quantified. We performed a retrospective review of 1420 patients with de novo metastatic CRC who received their primary treatment at the University of Texas M.D. Anderson Cancer Center (UTMDACC) from 2004 through 2019. Median OS was roughly stable for patients diagnosed between 2004 and 2012 (22.6 months) but since has steadily improved for those diagnosed in 2013 to 2015 (28.8 months), and 2016 to 2019 (32.4 months). Likewise, 5-year survival rate has increased from 15.7% for patients diagnosed from 2004 to 2006 to 26% for those diagnosed from 2013 to 2015. Notably, survival improved for patients with BRAFV600E mutant as well as microsatellite unstable (MSI-H) tumors. Multivariate regression analysis identified surgical resection of liver metastasis (HR = 0.26, 95% CI, 0.19–0.37), use of immunotherapy (HR = 0.44, 95% CI, 0.29–0.67) and use of third line chemotherapy (regorafenib or trifluridine/tipiracil, HR = 0.74, 95% CI, 0.58–0.95), but not year of diagnosis (HR = 0.99, 95% CI, 0.98–1), as associated with better survival, suggesting that increased use of these therapies are the drivers of the observed improvement in survival.
Important factors for the reliable and reproducible preparation of non-aqueous electrolyte solutions for lithium batteries
Authors: Cao Xia
Published: February 2023

Electrolyte solutions play a crucial role in rechargeable lithium batteries. Driven by an ever-increasing demand for better batteries, more and more stringent performance requirements are being asked of electrolytes. This demand to achieve electrolytes beyond the state-of-the-art has driven an increasing number of publications over the past decade. Nevertheless, a detailed description of electrolyte preparation is frequently missing when reporting new electrolytes for batteries, creating a barrier for others to reproduce important findings. In addition, false or misleading information in a paper may result from unintentional inaccuracies during the electrolyte preparation process. This article highlights important factors for the reliable and reproducible preparation of non-aqueous electrolyte solutions for lithium batteries, with the aim of encouraging researchers to follow more rigorous reporting standards.
Operando characterization of rhodium catalyst degradation in hydroformylation
Authors: Gerlach Martin , Jameel Froze , Seidel-Morgenstern Andreas , Stein Matthias , Hamel Christof
Published: February 2023

Kinetic studies combined with DFT calculations revealed degradation of catalyst to Rh-carbonyl clusters is responsible for the loss of regioselectivity in hydroformylation.
Acceleration of NO2gas sensitivity in two-dimensional SnSe2by Br doping
Authors: Choi Myung Sik , Bang Geukchan , Lee Jeongmin , Kim Inseo , Bang Joonho , Lee Seung Yong , Lee Kimoon , Lee Kyu Hyoung
Published: February 2023

We clarified that Br doping can be an effective approach to tune the surface Fermi level potential that is responsible for the charge transfer efficiency between the sensing material and gas molecule.
Tetranuclear [Cu3Ln] complexes derived from a tetraketone-type ligand
Authors: Shiga Takuya , Miyamoto Haruka , Okamoto Yukiko , Oshio Hiroki , Mihara Nozomi , Nihei Masayuki
Published: February 2023

Tetranuclear [Cu3Ln] complexes (Ln = Gd(iii), Tb(iii), and Dy(iii)) with a planar tetranuclear structure were synthesized. The [Cu3Gd] complex has an ST = 5 spin ground state and the [Cu3Tb] and [Cu3Dy] complexes show slow magnetic relaxation.
Rapid sol–gel synthesis of honeycomb-layered Na3Ni2BiO6 and orthorhombic Na3Ca2BiO6
Authors: Luke Emily J. , Potticary Jason , Friedemann Sven , Hall Simon R.
Published: February 2023

We present a new synthesis of a material that could have potential as a cathode material for sodium-ion batteries, Na3Ni2BiO6. We also apply this synthesis to a relatively unexplored material, Na3Ca2BiO6 and investigate its magnetic properties.
3D printing of cellulose/leaf-like zeolitic imidazolate frameworks (CelloZIF-L) for adsorption of carbon dioxide (CO2) and heavy metal ions
Authors: Abdelhamid Hani Nasser , Sultan Sahar , Mathew Aji P.
Published: February 2023

Metal–organic frameworks (MOFs) have advanced several technologies.
Using membrane–water partition coefficients in a critical membrane burden approach to aid the identification of neutral and ionizable chemicals that induce acute toxicity below narcosis levels
Authors: Droge Steven T. J. , Hodges Geoff , Bonnell Mark , Gutsell Steve , Roberts Jayne , Teixeira Alexandre , Barrett Elin L.
Published: February 2023

The risk assessment of thousands of chemicals used in our society benefits from adequate grouping of chemicals based on the mode and mechanism of toxic action (MoA).
Preferential disruption of E. coli biofilm via ratiometric detection and targeting of extracellular matrix using graphene-oxide-conjugated red-emitting fluorescent copper nanoclusters
Authors: Sharma Chandni , Shukla Ashish K. , Verma Mohini , Bathla Manik , Acharya Amitabha
Published: February 2023

Graphene oxide conjugated red emitting fluorescent copper nanoassembly for extracellular matrix fibril detection and disruption of bacterial biofilm.
High performance, recyclable and sustainable by design natural polyphenol-based epoxy polyester thermosets
Authors: Dinu Roxana , Pidvoronia Anastasiia , Lafont Ugo , Damiano Olivier , Mija Alice
Published: February 2023

Development of high-performance materials with a high content of aromatic units and high functionality, using natural and renewable polyphenolic synthons such as naringenin and phloroglucinol.
Substituent effect on controlled release of fragrant aldehydes from pH-triggered nicotinoylhydrazone-based precursors
Authors: Xiao Zuobing , Wu Chengjing , Lu Xinyu , Niu Yunwei , Yu Peiran , Ma Xiaojie
Published: February 2023

The acidic hydrolysis of nicotinoylhydrazone-based fragrance precursors reveals that a strong electron-donating substituent speeds up the release rate, whereas a weak electron-donating group has the opposite result in buffered solutions and on cotton.
Tissue-mimetic hybrid bioadhesives for intervertebral disc repair
Authors: Li Xuan , Liu Yin , Li Li , Huo Ran , Ghezelbash Farshid , Ma Zhenwei , Bao Guangyu , Liu Shiyu , Yang Zhen , Weber Michael H. , Li-Jessen Nicole Y. K. , Haglund Lisbet , Li Jianyu
Published: February 2023

Tissue-mimetic hybrid bioadhesives for the repair of intervertebral disc after nucleotomy is proposed, comprising a viscoelastic glue for delivering cells to fill the cavity and a tough adhesive sealant to prevent re-herniation post-nucleotomy.
Homogeneous Li+flux realized by anin situ-formed Li–B alloy layer enabling the dendrite-free lithium metal anode
Authors: Tao Fang-Yu , Xie Dan , Liu Xin-Fang , Lü Hong-Yan , Diao Wan-Yue , Yang Jia-Lin , Li Wen-Liang , Wu Xing-Long
Published: February 2023

Thein-situformed Li–B alloy provides abundant nucleation sites for inducing uniform Li deposition and inhibiting Li dendrite formation. The 3D porous Ni foam can provide enough space for relieving volume change.
Mechanistic insights into catalyst-dependent divergent cycloaddition reactionsviadiscrimination between diazo compounds
Authors: Wang Jing , Liu Xiao-Jun , Chen De-Zhan , Liu Jian-Biao
Published: February 2023

The underlying discrimination mechanism and the origins of catalyst-dependent selectivity are disclosed for divergent cycloaddition reactions.
Supramolecular porphyrin as an improved photocatalyst for chloroform decomposition
Authors: Lopes J. M. S. , Batista A. A. , Araujo P. T. , Neto N. M. Barbosa
Published: February 2023

The photocatalytic ability of free base pyridyl porphyrin to decompose chloroform is improved when ruthenium complexes are attached to its structure, enabling the use of lower energy one-photon excitations.
Luminescence and stability of Tb doped CaF2 nanoparticles
Authors: Hasabeldaim E. H. H. , Swart H. C. , Kroon R. E.
Published: February 2023

Luminescence properties of CaF2:Tb3+ nanoparticles were studied in order to investigate the effect of CaF2 native defects on the photoluminescence dynamics of Tb3+ ions.
β-Cyclodextrin: a green supramolecular catalyst assisted eco-friendly one-pot three-component synthesis of biologically active substituted pyrrolidine-2-one
Authors: Paul Subhankar , Das Sharmistha , Mitra Bijeta , Chandra Pariyar Gyan , Ghosh Pranab
Published: February 2023

An eco-efficient protocol towards the synthesis of highly substituted bio-active pyrrolidine-2-one derivatives was demonstrated using β-cyclodextrin, a water-soluble supramolecular catalyst at room temperature under water–ethanol solvent medium.
Graphene-guided growth of rare earth-doped Bi2Mo2O9 nano self-assembly for enhanced asymmetric supercapacitor device performance
Authors: Kovil Pitchai Jesman Sthevan , Shunmughananthan Bagavathy , Dheivasigamani Thangaraju , Periyasamy Sivakumar
Published: February 2023

Nanoparticle self-assembly and suitable dopants optimizes super-capacitive behaviour with sustainable life and ascertains the most optimal active material for electrodes.
The structural evolution of poly(ethylene terephthalate) oligomers produced via glycolysis depolymerization
Authors: Moncada Joshua , Dadmun Mark D.
Published: February 2023

Polymeric materials have become an integral part of our society, and their high demand has created a large quantity of polymers that end up in the waste stream.
Tribocatalysis mechanisms: electron transfer and transition
Authors: Li Xinnan , Tong Wangshu , Shi Jing , Chen Yunfan , Zhang Yihe , An Qi
Published: February 2023

The differences between the two mechanisms of tribocatalysis are compared, and the selection criteria for a specific reaction are given.
High photogeneration and low recombination rate leading to high-performance non-fullerene organic solar cells
Authors: Ma Yanxian , Liang Quanbin , Wu Hongbin , Cao Yong
Published: February 2023

TPV/TPC, EQE/IQE measurements and simulation modeling reveal that the high-performance organic solar cells originate from both an increasing charge generation and a reducing recombination rate coefficient, with PCE potentially exceeding 21%.
Dynamic template directed construction of three-dimensional porous bismuth aerogels for high-rate Na-ion storage
Authors: Liu Yani , Wang Yu , Wang Haoqiang , Dou Shuming , Tian Huijie , Gan Wei , Yuan Qunhui
Published: February 2023

A carbon-free 3D porous metallic Bi aerogel anode for high-rate Na-ion storage was fabricated through a simple dynamic template strategy, showing excellent capability for rapid ion/electron transfer and volume fluctuation.
Development of rigidity-controlled terpolymer donors for high-performance and mechanically robust organic solar cells
Authors: Kim Jinseck , Kim Geon-U , Kim Dong Jun , Lee Seungjin , Jeong Dahyun , Seo Soodeok , Ko Seo-Jin , Yoon Sung Cheol , Kim Taek-Soo , Kim Bumjoon J.
Published: February 2023

The electro-active third component (BID)-incorporated PM6-B10-based organic solar cell shows a high performance (PCE = 17.2%) and mechanical stretchability (COSavg = 11.4%), outperforming the PM6-based device (PCE = 15.8%, COSavg = 2.0%).
Phase transferred and non-coated, water soluble perovskite quantum dots for biocompatibility and sensing
Authors: C. G Sanjayan , Balakrishna R Geetha
Published: February 2023

Compatible perovskite quantum dots for sensing of bioamines.
Recent advances in nanocomposite-based delivery systems for targeted CRISPR/Cas delivery and therapeutic genetic manipulation
Authors: Ghani Muhammad Waseem , Iqbal Ambreen , Ghani Hammad , Bibi Sidra , Wang Zixun , Pei Renjun
Published: February 2023

Nanocomposites for delivering the CRISPR/Cas toolkits into cell and animal models for genome engineering.
Metal–organic framework-derived photoelectrochemical sensors: structural design and biosensing technology
Authors: Shi Yanting , Zou Yutao , Khan M. Shahnawaz , Zhang Mengge , Yan Jiang , Zheng Xiaohua , Wang Weiqi , Xie Zhigang
Published: February 2023

Metal–organic frameworks (MOFs) take on highly ordered self-assembled structures and have gained much attention due to their intriguing structural features and enormous applications.
Ultrasmall Co3O4 nanoparticles as a long-lived high-rate lithium-ion battery anode
Authors: Wan Ping , Si Yang , Zhu Shuang , Wang Changda , Cao Yuyang , Yu Zhen , Wang Wenjie , Chen Chen , Chu Wangsheng , Song Li
Published: February 2023

Ultrasmall Co3O4 nanoparticles were prepared by a facile two-step synthetic method and applied to long-lived high-rate lithium-ion batteries.