Publications by authors named "Tao Wu"

1,715 Publications

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Characterization of fatty acid desaturases reveals stress-induced synthesis of C18 unsaturated fatty acids enriched in triacylglycerol in the oleaginous alga Chromochloris zofingiensis.

Biotechnol Biofuels 2021 Sep 17;14(1):184. Epub 2021 Sep 17.

Laboratory for Algae Biotechnology & Innovation, College of Engineering, Peking University, Beijing, 100871, China.

Background: The green microalga Chromochloris zofingiensis is capable of producing high levels of triacylglycerol rich in C18 unsaturated fatty acids (UFAs). FA desaturation degree is regulated by FA desaturases (FADs). Nevertheless, it remains largely unknown regarding what FADs are involved in FA desaturations and how these FADs collaborate to contribute to the high abundance of C18 UFAs in triacylglycerol in C. zofingiensis.

Results: To address these issues, we firstly determined the transcription start sites of 11 putative membrane-bound FAD-coding genes (CzFADs) and updated their gene models. Functional validation of these CzFADs in yeast and cyanobacterial cells revealed that seven are bona fide FAD enzymes with distinct substrates. Combining the validated functions and predicted subcellular compartments of CzFADs and the FA profiles of C. zofingiensis, the FA desaturation pathways in this alga were reconstructed. Furthermore, a multifaceted lipidomic analysis by systematically integrating thin-layer chromatography, gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry techniques was conducted, unraveling profiles of polar membrane lipids in C. zofingiensis and major desaturation steps occurring in these lipids. By correlating transcriptional patterns of CzFAD genes and changes of lipids upon abiotic stress conditions, our results highlighted collaboration of CzFADs for C18 UFA synthesis and supported that both de novo FA synthesis and membrane lipid remodeling contributed C18 UFAs to triacylglycerol for storage.

Conclusions: Taken together, our study for the first time elucidated the pathways of C18 FA desaturations and comprehensive profiles of polar membrane lipids in C. zofingiensis and shed light on collaboration of CzFADs for the synthesis and enrichment of C18 UFAs in triacylglycerol.
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http://dx.doi.org/10.1186/s13068-021-02037-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8447527PMC
September 2021

A Novel Chaotic Image Encryption Algorithm Based on Latin Square and Random Shift.

Comput Intell Neurosci 2021 6;2021:2091053. Epub 2021 Sep 6.

College of Architecture Environment Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, China.

To realize the safe transmission of images, a chaotic image encryption algorithm based on Latin square and random shift is proposed. The algorithm consists of four parts: key generation, pixel scrambling, pixel replacement, and bit scrambling. Firstly, the key is generated from the plain image to improve the sensitivity of the encryption method. Secondly, each pixel in each row of the image matrix is moved cyclically to the right, in turn, to change the position of the image pixel and realize pixel position scrambling. Then, a 256-order Latin square matrix composed of a chaotic sequence is used as a lookup table, and the replacement coordinates are calculated based on the image pixel value and the chaotic sequence value, replacing the corresponding coordinate elements in the image matrix. Finally, decompose the bitplane of the image matrix and combine it into two-bit matrices, scramble the two bit matrices, respectively, with the Latin square matrix, recombine the scrambled two-bit matrices, and convert them into decimal to obtain the ciphertext image. In the proposed encryption method, all the Latin square matrices used are generated by chaotic sequences, further enhancing the complexity of the generated Latin square matrix and improving the algorithm's security. Experimental results and security analysis show that the proposed algorithm has good security performance and is suitable for image encryption.
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http://dx.doi.org/10.1155/2021/2091053DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8440112PMC
September 2021

Catalytic pyrolysis of linear low-density polyethylene using recycled coal ash: Kinetic study and environmental evaluation.

Korean J Chem Eng 2021 Sep 10:1-12. Epub 2021 Sep 10.

New Materials Institute, University of Nottingham Ningbo China, Ningbo, 315042 P. R. China.

Catalytic pyrolysis offers a sustainable route to convert plastic wastes into fuel. We investigated the catalytic performance of coal ash (fly and bottom ash) at blending ratio of 5 wt%, and 15 wt% during pyrolysis of linear low-density polyethylene (LLDPE). The influence on activation energy and oil was characterized via thermogravimetric analyzer (TGA) and gas chromatography-mass spectrometry (GC-MS). Results have shown that 15 wt% bottom ash exhibited higher catalytic activity. The activation energy estimated by Coats-Redfern method decreased from 458.7 kJ·mol to 437.8 kJ·mol, while the alicyclic hydrocarbon yield increased from 5.97% to 32.09%. This implies that CaO, which is abundant in bottom ash, could promote the conversion of LLDPE. Furthermore, a cradle-to-factory gate life cycle assessment was performed to investigate three scenarios (non-catalytic pyrolysis, 15 wt% fly ash, and 15 wt% bottom ash) of LLDPE conversion strategies via a normalization and weighting approach. It was found that LLDPE pyrolysis with 15 wt% bottom ash also showed the lowest normalized score of 2.83, implying the lowest environmental impact. This work has demonstrated that the recycling of coal ash, particularly bottom ash, as catalysts for LLDPE pyrolysis is effective.
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http://dx.doi.org/10.1007/s11814-021-0870-9DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8432283PMC
September 2021

Retraction Note to: The lncRNA XIST promotes colorectal cancer cell growth through regulating the miR-497-5p/FOXK1 axis.

Cancer Cell Int 2021 Sep 14;21(1):484. Epub 2021 Sep 14.

Department of General Surgery, Tangdu Hospital, The Air Force Medical University, Xi'an, 710038, China.

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http://dx.doi.org/10.1186/s12935-021-02205-2DOI Listing
September 2021

Salidroside protects against ventilation-induced lung injury by inhibiting the expression of matrix metalloproteinase-9.

Pharm Biol 2021 Dec;59(1):760-768

Department of Anesthesiology and Surgical Intensive Care Unit, Xinhua Hospital, Shanghai Jiaotong University School of Medicine, Shanghai, China.

Context: Salidroside, a compound extracted from L. (Crassulaceae), possesses many beneficial pathological effects.

Objective: To explore the effect of salidroside on ventilator-induced lung endothelial dysfunction and .

Materials And Methods: , male ICR mice were divided into sham, ventilation, salidroside, and ventilation plus salidroside groups. The mice were ventilated for 4 h, salidroside (50 mg/kg) was administrated intraperitoneally before ventilation, dexamethasone (Dex) (5 mg/kg) was used as a positive control. , mouse lung vascular endothelial cells (MLVECs) were treated with salidroside, MMP-9 siRNA, and BAY11-7082 (10 μM), and then exposed to cyclic stretch for 4 h. Afterward, lung tissues and MLVECs were collected for further analysis.

Results: Salidroside pre-treatment significantly reversed the expression of vascular endothelial cadherin (VE-cadherin) and zonula occluden-1 (ZO-1) proteins in cyclic stretch-treated MLVECs (0.46 ± 0.09 0.80 ± 0.14, 0.49 ± 0.05 0.88 ± 0.08) and ventilated lung tissues (0.56 ± 0.06 0.83 ± 0.46, 0.49 ± 0.08 0.80 ± 0.12). The results further indicated that salidroside inhibited the expression of matrix metalloproteinase-9 (MMP-9), whereas knockdown of its expression restored the expression levels of VE-cadherin (0.37 ± 0.08 0.85 ± 0.74) and ZO-1 (0.48 ± 0.08 0.81 ± 0.11) in stretched MLVECs. Meanwhile, salidroside inhibited the NF-κB signalling pathway and alleviated lung injury.

Conclusions: Salidroside protected against stretch-induced endothelial barrier function, improving lung injury after ventilation. Thus, salidroside may be a promising therapeutic agent for patients with MV-induced lung injury.
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http://dx.doi.org/10.1080/13880209.2021.1967409DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8439245PMC
December 2021

mRNA-engineered mesenchymal stromal cells expressing CXCR2 enhances cell migration and improves recovery in IBD.

Mol Ther Nucleic Acids 2021 Dec 21;26:222-236. Epub 2021 Jul 21.

Department of Medical Ultrasonic, The Third Affiliated Hospital, Sun Yat-Sen University, No. 600 Tianhe Road, Guangzhou 510630, China.

Mesenchymal stromal cells (MSCs) have shown significant heterogeneity in terms of therapeutic efficacy for inflammatory bowel disease (IBD) treatment, which may be due to an insufficient number of MSCs homing to the damaged tissue of the colon. Engineering MSCs with specific chemokine receptors can enhance the homing ability by lentiviral transduction. However, the unclear specific chemokine profile related to IBD and the safety concerns of viral-based gene delivery limit its application. Thus, a new strategy to modify MSCs to express specific chemokine receptors using mRNA engineering is developed to evaluate the homing ability of MSCs and its therapeutic effects for IBD. We found that CXCL2 and CXCL5 were highly expressed in the inflammatory colon, while MSCs minimally expressed the corresponding receptor CXCR2. Transient expression of CXCR2 in MSC was constructed and exhibited significantly enhanced migration to the inflamed colons, leading to a robust anti-inflammatory effect and high efficacy. Furthermore, the high expression of semaphorins7A on MSCs were found to induce the macrophages to produce IL-10, which may play a critical therapeutic role. This study demonstrated that the specific chemokine receptor mRNA-engineered MSCs not only improves the therapeutic efficacy of IBD but also provides an efficient and safe MSC modification strategy.
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http://dx.doi.org/10.1016/j.omtn.2021.07.009DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8413681PMC
December 2021

Altered Cerebellar Resting-State Functional Connectivity in Early-Stage Parkinson's Disease Patients With Cognitive Impairment.

Front Neurol 2021 25;12:678013. Epub 2021 Aug 25.

Department of Neurology, Xuanwu Hospital of Capital Medical University, Beijing, China.

Cognitive impairment is one of the most prominent non-motor symptoms in Parkinson's disease (PD), due in part to known cerebellar dysfunctions. Furthermore, previous studies have reported altered cerebellar functional connectivity (FC) in PD patients. Yet whether these changes are also due to the cognitive deficits in PD remain unclear. A total of 122 non-dementia participants, including 64 patients with early PD and 58 age- and gender-matched elderly controls were stratified into four groups based on their cognitive status (normal cognition vs. cognitive impairment). Cerebellar volumetry and FC were investigated by analyzing, respectively, structural and resting-state functional MRI data among groups using quality control and quantitative measures. Correlation analysis between MRI metrics and clinical features (motor and cognitive scores) were performed. Compared to healthy control subjects with no cognitive deficits, altered cerebellar FC were observed in early PD participants with both motor and cognitive deficits, but not in PD patients with normal cognition, nor elderly subjects showing signs of a cognitive impairment. Moreover, connectivity between the "motor" cerebellum and SMA was positively correlated with motor scores, while intracerebellar connectivity was positively correlated with cognitive scores in PD patients with cognitive impairment. No cerebellar volumetric difference was observed between groups. These findings show that altered cerebellar FC during resting state in early PD patients may be driven not solely by the motor deficits, but by cognitive deficits as well, hence highlighting the interplay between motor and cognitive functioning, and possibly reflecting compensatory mechanisms, in the early PD.
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http://dx.doi.org/10.3389/fneur.2021.678013DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8425347PMC
August 2021

Effect of Nucleating Additives on Short- and Long-Term Tensile Strength and Residual Stresses of Welded Polypropylene Samples.

Polymers (Basel) 2021 Aug 31;13(17). Epub 2021 Aug 31.

Institut für Werkstofftechnik, Metallische Werkstoffe, Universität Kassel, Sophie-Henschel-Haus Mönchebergstraße 3, 34125 Kassel, Germany.

Additives such as nucleating agents are often used in the processing of plastic products not only for improving production efficiency but also for enhancing mechanical performance. In this work, the short- and long-term tensile strength, the morphology as well as the residual stresses of the welded polypropylene (PP) samples with different fillers (carbon black and special beta-nucleating agents) and different dimensionless joining paths are analyzed. Results obtained are then compared with those that are representative of the initial, filler-free samples. It is shown that, upon using the special beta-nucleating agent, superior long-term tensile strength can be achieved compared to the samples without additives or with carbon black agent (e.g., for the dimensionless joining path of 0.95, the long-term tensile strength of a PP nature sample is characterized by around 400 MPa, whereas by adding beta-nucleating agent 1% the value can be increased by 400% to reach around 2050 MPa). However, adding beta-nucleating agent 1% yields inferior short-term tensile strength. The hole drilling method (HDM) is used for the analysis of residual stresses. It is found that the residual stresses in the weld seam are characterized by low values of the tensile stresses. The residual stresses in the weld seam also can be converted from tensile into compressive stresses by adding the beta nucleating agent. However, this has the disadvantage that with a higher proportion by weight of the beta nucleating agent, the short-term tensile strength of the welded joint becomes lower than that of the other tested bonds.
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http://dx.doi.org/10.3390/polym13172965DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8433659PMC
August 2021

Evolutionary Multi-Objective One-Shot Filter Pruning for Designing Lightweight Convolutional Neural Network.

Sensors (Basel) 2021 Sep 2;21(17). Epub 2021 Sep 2.

School of Electronics and Information, Northwestern Polytechnical University, 127 West Youyi Road, Xi'an 710072, China.

Deep neural networks have achieved significant development and wide applications for their amazing performance. However, their complex structure, high computation and storage resource limit their applications in mobile or embedding devices such as sensor platforms. Neural network pruning is an efficient way to design a lightweight model from a well-trained complex deep neural network. In this paper, we propose an evolutionary multi-objective one-shot filter pruning method for designing a lightweight convolutional neural network. Firstly, unlike some famous iterative pruning methods, a one-shot pruning framework only needs to perform filter pruning and model fine-tuning once. Moreover, we built a constraint multi-objective filter pruning problem in which two objectives represent the filter pruning ratio and the accuracy of the pruned convolutional neural network, respectively. A non-dominated sorting-based evolutionary multi-objective algorithm was used to solve the filter pruning problem, and it provides a set of Pareto solutions which consists of a series of different trade-off pruned models. Finally, some models are uniformly selected from the set of Pareto solutions to be fine-tuned as the output of our method. The effectiveness of our method was demonstrated in experimental studies on four designed models, LeNet and AlexNet. Our method can prune over 85%, 82%, 75%, 65%, 91% and 68% filters with little accuracy loss on four designed models, LeNet and AlexNet, respectively.
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http://dx.doi.org/10.3390/s21175901DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8434480PMC
September 2021

Development and validation of a deep learning model to screen hypokalemia from electrocardiogram in emergency patients.

Chin Med J (Engl) 2021 Sep 2. Epub 2021 Sep 2.

Department of Cardiovascular Medicine, The Second Affiliated Hospital of Nanchang University, Nanchang University School of Medicine, Nanchang, Jiangxi 330006, China Department of Anesthesiology, The Second Affiliated Hospital of Nanchang University, Nanchang University School of Medicine, Nanchang, Jiangxi 330006, China.

Background: A deep learning model (DLM) that enables non-invasive hypokalemia screening from an electrocardiogram (ECG) may improve the detection of this life-threatening condition. This study aimed to develop and evaluate the performance of a DLM for the detection of hypokalemia from the ECGs of emergency patients.

Methods: We used a total of 9908 ECG data from emergency patients who were admitted at the Second Affiliated Hospital of Nanchang University, Jiangxi, China, from September 2017 to October 2020. The DLM was trained using 12 ECG leads (lead I, II, III, aVR, aVL, aVF, and V1-6) to detect patients with serum potassium concentrations <3.5 mmol/L and was validated using retrospective data from the Jiangling branch of the Second Affiliated Hospital of Nanchang University. The blood draw was completed within 10 min before and after the ECG examination, and there was no new or ongoing infusion during this period.

Results: We used 6904 ECGs and 1726 ECGs as development and internal validation data sets, respectively. In addition, 1278 ECGs from the Jiangling branch of the Second Affiliated Hospital of Nanchang University were used as external validation data sets. Using 12 ECG leads (leads I, II, III, aVR, aVL, aVF, and V1-6), the area under the receiver operating characteristic curve (AUC) of the DLM was 0.80 (95% confidence interval [CI]: 0.77-0.82) for the internal validation data set. Using an optimal operating point yielded a sensitivity of 71.4% and a specificity of 77.1%. Using the same 12 ECG leads, the external validation data set resulted in an AUC for the DLM of 0.77 (95% CI: 0.75-0.79). Using an optimal operating point yielded a sensitivity of 70.0% and a specificity of 69.1%.

Conclusions: In this study, using 12 ECG leads, a DLM detected hypokalemia in emergency patients with an AUC of 0.77 to 0.80. Artificial intelligence could be used to analyze an ECG to quickly screen for hypokalemia.
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http://dx.doi.org/10.1097/CM9.0000000000001650DOI Listing
September 2021

Research progress, challenges and perspectives on PNPLA3 and its variants in Liver Diseases.

J Cancer 2021 13;12(19):5929-5937. Epub 2021 Aug 13.

Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China.

The human patatin-like phospholipase domain-containing 3 gene (PNPLA3) is highly expressed in liver and adipose tissue and encodes a transmembrane polypeptide chain containing 481 amino acids. The I148M variant of PNPLA3 is a single nucleotide polymorphism, which is related to a variety of liver and cardiovascular diseases and their complications (such as non-alcoholic fatty liver disease, liver fibrosis, coronary artery disease). This review mainly describes the pathophysiological effects of PNPLA3 and its variants, and their roles in the progression of liver disease and its complications.
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http://dx.doi.org/10.7150/jca.57951DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8408107PMC
August 2021

Meta-analysis of clinical trials focusing on hypertonic dextrose prolotherapy (HDP) for knee osteoarthritis.

Aging Clin Exp Res 2021 Aug 27. Epub 2021 Aug 27.

Department of Rehabilitation Medicine, College of Medicine, Sir Run Run Shaw Hospital, Zhejiang University, 3, East Qin Chun Road, 310016, Hang Zhou, Zhe Jiang, People's Republic of China.

Hypertonic dextrose prolotherapy (HDP) is an injection of a concentrated dextrose solution for the purpose of local treatment of musculoskeletal pain and possible enhancement of repair mechanisms. This systematic review and meta-analysis examines the clinical utility of HDP injection for treatment of knee osteoarthritis (OA). Randomized controlled trials (RCTs) utilizing HDP to treat knee OA were retrieved from MEDLINE, EMBASE, and Cochrane Library (CENTRAL). Identification and inclusion of RCTs utilizing intra-articular and extra-articular administration of HDP vs administration of other injectate or physical therapy as control for knee OA were included. Primary clinical outcomes were changes in knee WOMAC, pain and function score. Secondary outcomes were adverse events related to HDP. For continuous outcomes with same or different measurements, we calculated, respectively the weighted mean difference (WMD) or the standardized mean difference (SMD), respectively. Results were pooled using DerSimonian and Laird random effect models across the included studies and heterogeneity between studies was estimated using the I index. Five studies comprising a total of 319 treated patients met inclusion criteria and were included in the final analysis. At a mean of 22.8 weeks follow-up, HDP treatment significantly improved total WOMAC score (WMD = 13.77, 95% CI: 6.75-20.78; p < 0.001; I = 90%), pain (SMD = 1.33, 95% CI: 0.49-2.17; p < 0.001; I = 91%) and knee function (SMD = 1.30, 95% CI: 0.45-2.14; p < 0.001; I = 91%) compared with control group. There were no severe adverse events related to dextrose injection reported in all the included studies. HDP is a promising treatment for knee OA with a reasonable safety profile. Further research in mechanism of HDP activity and long-term follow-up study will be needed for exploring this novel therapy modality.
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http://dx.doi.org/10.1007/s40520-021-01963-3DOI Listing
August 2021

LRRK2 plays essential roles in maintaining lung homeostasis and preventing the development of pulmonary fibrosis.

Proc Natl Acad Sci U S A 2021 Aug;118(35)

Institute for Immunology, Tsinghua-Peking Center for Life Sciences, School of Medicine, Tsinghua University, Beijing 100084, China;

Perturbation of lung homeostasis is frequently associated with progressive and fatal respiratory diseases, such as pulmonary fibrosis. Leucine-rich repeat kinase 2 (LRRK2) is highly expressed in healthy lungs, but its functions in lung homeostasis and diseases remain elusive. Herein, we showed that LRRK2 expression was clearly reduced in mammalian fibrotic lungs, and LRRK2-deficient mice exhibited aggravated bleomycin-induced pulmonary fibrosis. Furthermore, we demonstrated that in bleomycin-treated mice, LRRK2 expression was dramatically decreased in alveolar type II epithelial (AT2) cells, and its deficiency resulted in profound dysfunction of AT2 cells, characterized by impaired autophagy and accelerated cellular senescence. Additionally, LRRK2-deficient AT2 cells showed a higher capacity of recruiting profibrotic macrophages via the CCL2/CCR2 signaling, leading to extensive macrophage-associated profibrotic responses and progressive pulmonary fibrosis. Taken together, our study demonstrates that LRRK2 plays a crucial role in preventing AT2 cell dysfunction and orchestrating the innate immune responses to protect against pulmonary fibrosis.
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http://dx.doi.org/10.1073/pnas.2106685118DOI Listing
August 2021

Rice OsWRKY50 Mediates ABA-Dependent Seed Germination and Seedling Growth, and ABA-Independent Salt Stress Tolerance.

Int J Mol Sci 2021 Aug 11;22(16). Epub 2021 Aug 11.

Jilin Province Engineering Laboratory of Plant Genetic Improvement, College of Plant Science, Jilin University, Changchun 130062, China.

Plant WRKY transcription factors play crucial roles in plant growth and development, as well as plant responses to biotic and abiotic stresses. In this study, we identified and characterized a WRKY transcription factor in rice, OsWRKY50. OsWRKY50 functions as a transcriptional repressor in the nucleus. The transcription of OsWRKY50 was repressed under salt stress conditions, but activated after abscisic acid (ABA) treatment. OsWRKY50-overexpression (OsWRKY50-OX) plants displayed increased tolerance to salt stress compared to wild type and control plants. The expression of , , , and in OsWRKY50-OX were much higher than wild type and control plants under salt stress. Furthermore, OsWRKY50-OX displayed hyposensitivity to ABA-regulated seed germination and seedling establishment. The protoplast-based transient expression system and yeast hybrid assay demonstrated that OsWRKY50 directly binds to the promoter of , and thus further inhibits its transcription. Taken together, our results demonstrate that rice transcription repressor OsWRKY50 mediates ABA-dependent seed germination and seedling growth and enhances salt stress tolerance via an ABA-independent pathway.
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http://dx.doi.org/10.3390/ijms22168625DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8395310PMC
August 2021

Trends and Patterns of Knee Osteoarthritis in China: A Longitudinal Study of 17.7 Million Adults from 2008 to 2017.

Int J Environ Res Public Health 2021 08 23;18(16). Epub 2021 Aug 23.

School of Nursing, Peking University, No. 38 Xueyuan Road, Beijing 100191, China.

Knee osteoarthritis (KOA) provides many challenges on the healthcare system. However, few studies have reported the epidemiology, particularly in a large population. Our study aimed to estimate the prevalence, incidence, trends, and patterns of diagnosed KOA in China. This was a longitudinal study. We used health insurance claims of 17.7 million adults from 2008-2017 to identify people with KOA. Trends in prevalence and incidence were analyzed using joinpoint regression. We identified 2,447,990 people with KOA in Beijing, 60% of which were women. The 10-year average age-standardized prevalence and incidence of KOA was, respectively, 4.6% and 25.2 per 1000 person-years. Prevalence increased with age, surging after 55 years old. The average crude prevalence was 13.2% for people over 55 years old. The prevalence showed an increasing trend from 2008 to 2017, including a period of rapid rise from 2008 to 2011 ( < 0.05); the increase in prevalence was greatest in people under 35 years old ( 0.05). Our analyses showed that the annual prevalence rate of KOA increased significantly from 2008 to 2017 in China. We need to increase our attention to women and the elderly over 55 years old, and also be alert to the younger trend of incidence of KOA.
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http://dx.doi.org/10.3390/ijerph18168864DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8395063PMC
August 2021

The Wear Behavior of the Laser Cladded Ti-Al-Si Composite Coatings on Ti-6Al-4V Alloy with Additional TiC.

Materials (Basel) 2021 Aug 14;14(16). Epub 2021 Aug 14.

Department of Materials Science and Engineering, School of Mechanical and Materials Engineering, North China University of Technology, 5 Jinyuanzhuang Road, Beijing 100144, China.

In this study, the Ti-Al-Si + TiC ( = 0, 2, 6, 10 wt.%) composite coatings, each with a different content of TiC were fabricated on a Ti-6Al-4V alloy by laser surface cladding. The microstructure of the prepared coatings was analyzed by the scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD). The microhardness and the wear resistance of these coatings were also evaluated. The results show that α-Ti, TiAl, TiSi, TiAl, TiAl, TiAlC and TiC particles can be found in the composites. The microstructure can obviously be refined by increasing the content of TiC particles, while the microhardness increases and the coefficient of friction decreases. The Ti-Al-Si-6TiC composite shows the best wear resistance, owing to its relatively fine microstructure and high content of TiC particles. The microhardness of this coating is 5.3 times that of the substrate, while the wear rate is only 0.43 times. However, when the content of TiC was up to 10 wt.%, the original TiC could not be dissolved completely during the laser cladding process, leading to formation of cracks on the coatings.
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http://dx.doi.org/10.3390/ma14164567DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8400223PMC
August 2021

Canstatin represses glioma growth by inhibiting formation of VM-like structures.

Transl Neurosci 2021 Jan 10;12(1):309-319. Epub 2021 Aug 10.

Neurosurgery Department, Shenzhen Second People's Hospital, Sungang Road, Futian District, Guangzhou 510510, People's Republic of China.

Vasculogenic mimicry (VM) is different from classical tumor angiogenesis and does not depend on endothelial cells. VM is closely related to the prognosis of various cancers. Canstatin was first identified as an endogenous angiogenesis inhibitor. In the present study, the inhibitory effect of canstatin on VM formation was evaluated. Human glioblastoma cell lines U87 and U251 were letivirally transduced to overexpress canstatin gene or GFP as control. assays showed that canstatin overexpression reduced the tube formation of U87 and U251 cells in Matrigel. A xenograft glioma model was created by subcutaneous injection of lentivirally modified U87 cells into nude mice. The results of experiments showed that canstatin gene introduction inhibited the growth of glioma xenografts. In tumor xenografts overexpressing canstatin, U87-mediated formation of VM-like structures and VM-related VEGF (vascular endothelial growth factor) expression were remarkably reduced. Canstatin overexpression also decreased the phosphorylation of Akt and reduced the expression of Survivin In addition, HIF-1α production and MMP-2 secretion were decreased by canstatin overexpression. Therefore, these results suggested a protective role of canstatin during VM-like structure formation of glioma probably via inhibiting signaling pathways inducing vasculogenic mimicry.
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http://dx.doi.org/10.1515/tnsci-2020-0176DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8357010PMC
January 2021

Damage tolerant design of additively manufactured metallic components subjected to cyclic loading: State of the art and challenges.

Prog Mater Sci 2021 Aug;121

Fraunhofer-Institut für Betriebsfestigkeit (LBF), Bartningstr. 47, D-64298 Darmstadt, Germany.

Undoubtedly, a better understanding and the further development of approaches for damage tolerant component design of AM parts are among the most significant challenges currently facing the use of these new technologies. This article presents a thorough overview of the workshop discussions. It aims to provide a review of the parameters affecting the damage tolerance of parts produced by additive manufacturing (shortly, AM parts) with special emphasis on the process parameters intrinsic to the AM technologies, the resulting defects and the residual stresses. Based on these aspects, basic concepts are reviewed and critically discussed specifically for AM materials: Criteria for damage tolerant component design;Criteria for the determination of fatigue and fracture properties;Strategies for the determination of the fatigue life in dependence of different manufacturing conditions;Methods for the quantitative characterization of microstructure and defects;Methods for the determination of residual stresses;Effect of the defects and the residual stresses on the fatigue life and behaviour. We see that many of the classic concepts need to be expanded in order to fit with the particular microstructure (grain size and shape, crystal texture) and defect distribution (spatial arrangement, size, shape, amount) present in AM (in particular laser powder bed fusion). For instance, 3D characterization of defects becomes essential, since the defect shapes in AM are diverse and impact the fatigue life in a different way than in the case of conventionally produced components. Such new concepts have immediate consequence on the way one should tackle the determination of the fatigue life of AM parts; for instance, since a classification of defects and a quantification of the tolerable shapes and sizes is still missing, a new strategy must be defined, whereby theoretical calculations (e.g. FEM) allow determining the maximum tolerable defect size, and non-destructive testing (NDT) techniques are required to detect whether such defects are indeed present in the component. Such examples show how component design, damage and failure criteria, and characterization (and/or NDT) become for AM parts fully interlinked. We conclude that the homogenization of these fields represents the current challenge for the engineer and the materials scientist.
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http://dx.doi.org/10.1016/j.pmatsci.2021.100786DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8383831PMC
August 2021

Stress proteins, nonribosomal peptide synthetases, and polyketide synthases regulate carbon sources-mediated bio-demulsifying mechanisms of nitrate-reducing bacterium Gordonia sp. TD-4.

J Hazard Mater 2021 Aug 13;422:126900. Epub 2021 Aug 13.

Shandong Provincial Research Center for Water Pollution Control, School of Environmental Science and Engineering, Shandong University, Qingdao 266237, PR China. Electronic address:

Carbon sources have been reported to determine the bio-demulsifying performance and mechanisms. However, the genetic regulation of carbon sources-mediated bio-demulsification remains unclear. Here, the effects of β-oxidation, stress response, and nitrate metabolism on the demulsification of alkaline-surfactant-polymer flooding produced water by Gordonia sp. TD-4 were investigated. The results showed that competitive adsorption-derived demulsification was mediated by oil-soluble carbon sources (paraffin). Surface-active lipopeptides responsible for competitive adsorption-derived demulsification could be biosynthesized by the nonribosomal peptide synthetases and polyketide synthases using oil-soluble carbon sources. Bio-flocculation-derived demulsification was mediated by water-soluble carbon sources. Water-soluble carbon sources (sodium acetate and glucose) mediated the process of the dissimilatory reduction of nitrate to ammonia, which resulted in the variable accumulation of nitrite. The accumulated nitrite (>180 mg-N/L) stimulated stress response and induced the upregulation of chaperone-associated genes. The upregulation of chaperonins increased the cell surface hydrophobicity and the cation-dependent bio-flocculating performance, which were responsible for bio-flocculation-derived demulsification. The β-oxidation of fatty acids significantly affected both competitive adsorption-derived demulsification and bio-flocculation-derived demulsification. This study illustrates the synergistic effects of nitrogen sources and carbon sources on the regulation of bio-demulsifying mechanisms of TD-4 and identifies two key functional gene modules responsible for the regulation of bio-demulsifying mechanisms.
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http://dx.doi.org/10.1016/j.jhazmat.2021.126900DOI Listing
August 2021

The exploration of N6-deoxyadenosine methylation in mammalian genomes.

Protein Cell 2021 Aug 17. Epub 2021 Aug 17.

Department of Molecular and Human Genetics, Baylor College of Medicine, Houston, TX, 77030, USA.

N-methyladenine (N-mA, mdA, or 6mA), a prevalent DNA modification in prokaryotes, has recently been identified in higher eukaryotes, including mammals. Although 6mA has been well-studied in prokaryotes, the function and regulatory mechanism of 6mA in eukaryotes are still poorly understood. Recent studies indicate that 6mA can serve as an epigenetic mark and play critical roles in various biological processes, from transposable-element suppression to environmental stress response. Here, we review the significant advances in methodology for 6mA detection and major progress in understanding the regulation and function of this non-canonical DNA methylation in eukaryotes, predominantly mammals.
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http://dx.doi.org/10.1007/s13238-021-00866-3DOI Listing
August 2021

Arterial instillation of rapamycin in treatment of rabbit hepatic xenograft tumors and its effects on VEGF, iNOS, HIF-1α, Bcl-2, Bax expression and microvessel density.

Sci Prog 2021 Jul-Sep;104(3):368504211026417

College of Basic Medicine, Henan University, Kaifeng, Henan, P.R. China.

Hepatocellular carcinoma is one of the leading causes of malignant tumor related death word wide with poor prognosis. Chemotherapy and TACE are main treatment methods for advanced stage cases. Rapamycin, a macrolide compound that initially used to coat coronary stents, can inhibit the growth of a variety of cancer cells especially hepatocellular carcinoma. Twenty-four healthy adult New Zealand white rabbits underwent CT-guided puncture to prepare a model of VX2 liver xenograft tumor. The rabbits were randomly divided into four groups with six in each group and received the following treatments: APR-TACE1: arterial perfusion of high-dose rapamycin combined with TACE; APR-TACE2: arterial perfusion of low-dose rapamycin combined with TACE; TACE: TACE alone; and IVR-TACE: intravenous injection of rapamycin combined with TACE. Two weeks after TACE treatment, the rabbits received CT scan and DSA angiography examination, and then killed by air embolism. The non-necrotic region and surrounding tissues were obtained from the peripheral tumor for iNOS, HIF-1α, VEGF, Bcl-2, and Bax protein expression analysis. Protein xpression of iNOS, HIF-1α, VEGF, and Bcl-2 in APR-TACE1 were significantly lower than those in groups APR-TACE2, TACE, and IVR-TACE ( < 0.05). iNOS, HIF-1α, and VEGF in APR-TACE2 were lower than those in TACE ( < 0.05). iNOS and VEGF in APR-TACE2 were significantly lower than those in IVR-TACE ( < 0.05). iNOS in IVR-TACE was significantly lower than that in TACE ( < 0.05). The expression levels of Bcl-2 and Bax were statistically significant between APR-TACE2 and TACE ( < 0.05). The MVD of the tumor tissue in APR-TACE1 was lower than that of groups APR-TACE2, TACE, IVR-TACE with statistical difference ( < 0.05). However, MVD of APR-TACE2 was lower than that of groups TACE, IVR-TACE with significant statistical difference ( < 0.05). Arterial instillation of rapamycin+TACE in treatment of rabbit hepatic xenograft tumors can reduce tumor neovascularization and inhibit iNOS, HIF-1α, VEGF, Bcl-2, and Bax protein expression.
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http://dx.doi.org/10.1177/00368504211026417DOI Listing
August 2021

Author Correction: A chalcogenide-cluster-based semiconducting nanotube array with oriented photoconductive behavior.

Nat Commun 2021 Aug 12;12(1):5014. Epub 2021 Aug 12.

College of Chemistry and Materials Science, Guangdong Provincial Key Laboratory of Functional Supramolecular Coordination Materials and Applications, Jinan University, Guangzhou, 510632, China.

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http://dx.doi.org/10.1038/s41467-021-25234-xDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8361109PMC
August 2021

A case-control study on correlation between the single nucleotide polymorphism of CLEC4E and the susceptibility to tuberculosis among Han people in Western China.

BMC Infect Dis 2021 Aug 10;21(1):788. Epub 2021 Aug 10.

Department of Laboratory Medicine, West China Hospital, Sichuan University, Chengdu, 610041, People's Republic of China.

Background: Tuberculosis (TB) is one of the leading causes of morbidity and mortality in Western China. Preclinical studies have suggested the protective effect of the C-type lectin receptor of family 4 member E (CLEC4E) from TB. Herein, we investigated the association between CLEC4E gene variants and TB susceptibility in a western Chinese Han population.

Methods: We genotyped four single nucleotide polymorphisms (SNPs) rs10841856, rs10770847, rs10770855 and rs4480590 in the CLEC4E gene using the improved multiplex ligation detection reaction (iMLDR) assay in 900 TB cases and 1534 healthy controls.

Results: After stratifying the whole data by sex, it was found that males exhibited mutant allele G of rs10841856 was more strongly associated with increased TB risk after Bonferroni correction (OR = 1.334, 95% CI: 1.142-1.560; P < 0.001 after adjusting for age; p = 0.001 after Bonferroni correction). The genetic model analysis found that rs10841856 was associated with the increased risk of TB among males under the dominant model (OR = 1.557, 95% CI = 1.228-1.984, P < 0.001 after adjusting for age, P < 0.001 after Bonferroni correction). Bioinformatics analysis suggested that rs10841856 might fall in putative functional regions and might be the expression quantitative trait loci (eQTL) for CLEC4E and long noncoding RNA RP11-561P12.5.

Conclusions: Our study revealed that rs10841856 in the CLEC4E gene might be related to increased TB risk, especially the dominant genetic model among male Han individuals from Western China.
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http://dx.doi.org/10.1186/s12879-021-06448-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8353747PMC
August 2021

Highly Dynamic Polynuclear Metal Cluster Revealed in a Single Metallothionein Molecule.

Research (Wash D C) 2021 14;2021:9756945. Epub 2021 Jul 14.

State Key Laboratory of Coordination Chemistry, Chemistry and Biomedicine Innovation Center (ChemBIC), School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, Jiangsu 210023, China.

Human metallothionein (MT) is a small-size yet efficient metal-binding protein, playing an essential role in metal homeostasis and heavy metal detoxification. MT contains two domains, each forming a polynuclear metal cluster with an exquisite hexatomic ring structure. The apoprotein is intrinsically disordered, which may strongly influence the clusters and the metal-thiolate (M-S) bonds, leading to a highly dynamic structure. However, these features are challenging to identify due to the transient nature of these species. The individual signal from dynamic conformations with different states of the cluster and M-S bond will be averaged and blurred in classic ensemble measurement. To circumvent these problems, we combined a single-molecule approach and multiscale molecular simulations to investigate the rupture mechanism and chemical stability of the metal cluster by a single MT molecule, focusing on the ZnS cluster in the domain upon unfolding. Unusual multiple unfolding pathways and intermediates are observed for both domains, corresponding to different combinations of M-S bond rupture. None of the pathways is clearly preferred suggesting that unfolding proceeds from the distribution of protein conformational substates with similar M-S bond strengths. Simulations indicate that the metal cluster may rearrange, forming and breaking metal-thiolate bonds even when MT is folded independently of large protein backbone reconfiguration. Thus, a highly dynamic polynuclear metal cluster with multiple conformational states is revealed in MT, responsible for the binding promiscuity and diverse cellular functions of this metal-carrier protein.
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http://dx.doi.org/10.34133/2021/9756945DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8299258PMC
July 2021

CEUS detection of biliary ischaemia during the first 4 weeks after liver transplantation predicts non-anastomotic biliary stricture.

Clin Hemorheol Microcirc 2021 Aug 3. Epub 2021 Aug 3.

Department of Medical Ultrasonics, The Third Affiliated Hospital of Sun Yat-sen University, Guangdong Province Key Laboratory of Hepatology Research, Tianhe Road, Guangzhou, Guangdong, People's Republic of China.

Background: Biliary ischaemia is an important factor in the pathogenesis of non-anastomotic biliary stricture (NAS) after liver transplantation (LT). Contrast-enhanced ultrasound (CEUS) can be used to detect biliary ischaemia, but no study has examined the utility of CEUS in predicting NAS.

Objective: To evaluate whether repeated CEUS as a non-invasive method of biliary ischaemia can identify NAS.

Methods: Consecutive LT patients who underwent CEUS examinations at 1-4 weeks after LT from September 2012 to December 2015 at our institution were included. The CEUS images and clinical data were analysed.

Results: Among 116 eligible LT patients, 39 (33.6%) were diagnosed with NAS within 1 year after LT. The patients with NAS had a significantly higher CEUS score at weeks 2-4 (all P <  0.05) and a higher slope of CEUS score progression (0.480 vs -0.044, P <  0.001). The accuracy of CEUS in identifying NAS improved over time after LT, reaching its maximum at week 4, with a sensitivity of 66.7%, a specificity of 87.9%, a positive predictive value (PPV) of 75.9%, a negative predictive value (NPV) of 82.3%, and an accuracy of 80.2%in the full cohort when a CEUS score≥3 was used as the cut-off. Multivariate analysis identified gamma-glutamyl transpeptidase (GGT), alanine transaminase (ALT) and the CEUS score at week 4 as independent predictors of NAS. In the task of identifying NAS, an NAS score combining the above 3 variables at week 4 showed areas under the receiver operating characteristic curve of 0.88 (95%CI, 0.78-0.99) in the estimation group (n = 60) and 0.82 (95%CI, 0.69-0.96) in the validation group (n = 56). An NAS score cut-off of 0.396 identified 87.2%of NAS cases in the estimation group, with a PPV of 93.3%; and 75.0%of NAS cases in the validation group, with a PPV of 58.8%.

Conclusions: CEUS examination during the first 4 weeks is useful in assessing the risk of NAS within 1 year after LT. In particular, an NAS score combining the CEUS score, GGT level, and ALT level at week 4 can be used to accurately predict the risk of NAS in LT patients.
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http://dx.doi.org/10.3233/CH-211097DOI Listing
August 2021

Mixing Oil-Based Microencapsulation of Garlic Essential Oil: Impact of Incorporating Three Commercial Vegetable Oils on the Stability of Emulsions.

Foods 2021 Jul 15;10(7). Epub 2021 Jul 15.

State Key Laboratory of Food Nutrition and Safety, Tianjin University of Science & Technology, Tianjin 300457, China.

The active components in garlic essential oil are easily degradable, which limits its application in the food industry. Vegetable oils (VOs) were used to improve the stability of garlic essential oil (GEO) emulsion. The volatile compounds of GEO and its mixtures with vegetable oils (VOs), including corn oil (CO), soybean oil (SO), and olive oil (OO) indicated that GEO-VO mixtures had a higher percentage of Diallyl disulfide and Diallyl trisulfide than pure GEO. Adding an appropriate amount of VOs promoted the GEO emulsion (whey protein concentrate and inulin as the wall materials) stability in order of CO > SO > OO. Evaluation of the encapsulation efficiency, controlled release, and antimicrobial activity of GEO-VO microcapsules showed that the GEO was successfully entrapped and slowly released with active antibacterial activities on both and . Collectively, these results implied that VOs, especially for 20% CO, improved the stability of GEO emulsions and the encapsulation efficiency of GEO microcapsules. The mechanism might be related to (1) the regulating effect of density difference between oil and water phases on prevention to gravitational separation, (2) the promotion to the compatibility of GEO and VOs to inhibit the phase separation caused by Ostwald ripening.
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http://dx.doi.org/10.3390/foods10071637DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8305996PMC
July 2021

Ambient Particulate Matter Pollution and Hospital Visits for Cardiac Arrhythmia in Beijing, China.

Biomed Environ Sci 2021 Jul;34(7):562-566

Department of Epidemiology and Biostatistics, School of Public Health, Peking University, Beijing 100191, China;Medical Informatics Center, Peking University, Beijing 100191, China.

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http://dx.doi.org/10.3967/bes2021.077DOI Listing
July 2021

Risk Factors for Intraoperative Periprosthetic Femoral Fractures in Patients with Hip Dysplasia Undergoing Total Hip Arthroplasty with Uncemented Prostheses.

Orthop Surg 2021 Aug 5. Epub 2021 Aug 5.

Department of Osteonecrosis and Hip Surgery, The Third Hospital of Hebei Medical University, Shijiazhuang, China.

Objectives: To determine the potential risk factors for intraoperative periprosthetic femoral fractures in patients with developmental dysplasia of the hip (DDH) undergoing total hip arthroplasty (THA).

Methods: This was a retrospective study. Patients who were diagnosed with DDH and undergoing THA (by artificial joint replacement) at our hospital from January 1999 to December 2019 were included in this study. Clinical and radiological factors were obtained from their medical records, such as age, sex, Crowe classification, morphological features of proximal femur, and features of surgical procedure. The outcome of interest was the occurrence of intraoperative periprosthetic femoral fracture, which was recorded and classified according to the Vancouver classification system. According to the fracture status, the patients were divided into two groups: the fracture group and the non-fracture group. Multivariate logistic regression model was built to identify the risk factors for these fractures.

Results: A total of 1252 hips were finally included. Intraoperative periprosthetic femoral fractures were identified in 62 hips. The incidence of intraoperative periprosthetic femoral fractures in patients with DDH undergoing THA was 4.95%. There were 22 patients (proportion = 35.48%, incidence = 1.76%) with Type A fractures, 38 (proportion = 61.29%, incidence = 3.04%) with Type B fractures, and two (proportion = 3.23%, incidence = 0.16%) with Type C fractures. Six independent risk factors for intraoperative periprosthetic femoral fractures were identified: osteoporosis (OR = 3.434; 95% CI, 1.963-6.007), previous surgical history (OR = 4.797; 95% CI, 2.446-9.410), Dorr Type A canal (OR = 3.025; 95% CI, 1.594-5.738), retained femoral neck length (OR = 1.121; 95% CI, 1.043-1.204), implanted metaphyseal-diaphyseal fixation stems (OR = 3.208; 95% CI, 1.562-6.591), and implanted stem with anteversion design (OR = 2.916; 95% CI, 1.473-5.770).

Conclusions: The overall incidence of intraoperative periprosthetic femoral fractures in patients with DDH undergoing THA was 4.95%, which was at a moderate level compared to patients with other diseases undergoing THA. Six independent risk factors were identified: osteoporosis, previous surgical history, Dorr Type A canal, insufficient neck osteotomy level, implantation of metaphyseal-diaphyseal fixation stem, and implantation of a stem with an anteversion design. Comprehending these risk factors might help surgeons prevent the occurrence of these intraoperative periprosthetic femoral fractures in patients with DDH.
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http://dx.doi.org/10.1111/os.13133DOI Listing
August 2021

Learning from Highly Confident Samples for Automatic Knee Osteoarthritis Severity Assessment: Data from the Osteoarthritis Initiative.

IEEE J Biomed Health Inform 2021 Aug 4;PP. Epub 2021 Aug 4.

Knee osteoarthritis (OA) is a chronic disease that considerably reduces patients' life quality. Preventive therapies require early detection and lifetime monitor of OA progression. In the clinical environment, the severity of OA is classified by Kellgren and Lawrence (KL) grading system, ranging from KL-0 to KL-4. Recently, deep learning methods were applied to OA severity assessment to improve the accuracy and efficiency. Researchers fine-tuned convolution neural networks (CNN) on the OA dataset and built end-to-end approaches. However, this task is still challenging due to the ambiguity between adjacent grading, especially in early-stage OA. Low confident samples, which are less representative than the typical ones, undermine the training process. Targeting the uncertainty in the OA dataset, we propose a novel learning scheme that dynamically separates the data into two sets according to their reliability. Besides, we design a hybrid loss function to help CNN learn from the two sets accordingly. With the proposed approach, we emphasize the typical samples and control the impacts of low confident cases. Experiments are conducted in a five-fold manner. Our method achieves a mean accuracy of 70.13\% on the five-class OA assessment task, which outperforms all other start-of-art methods. Despite that early-stage OA detection still benefits from the human intervention of lesion region selection, our approach achieves superior performance on the KL-0 vs. KL-2 task. Moreover, we design an experiment to validate large-scale automatic data refining during training. The result verifies the ability of characterizing low confidence samples by our approach. Dataset used in this paper was obtained from the osteoarthritis Initiative.
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http://dx.doi.org/10.1109/JBHI.2021.3102090DOI Listing
August 2021

Effects of interlayer confinement and hydration on capacitive charge storage in birnessite.

Nat Mater 2021 Aug 2. Epub 2021 Aug 2.

Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC, USA.

Nanostructured birnessite exhibits high specific capacitance and nearly ideal capacitive behaviour in aqueous electrolytes, rendering it an important electrode material for low-cost, high-power energy storage devices. The mechanism of electrochemical capacitance in birnessite has been described as both Faradaic (involving redox) and non-Faradaic (involving only electrostatic interactions). To clarify the capacitive mechanism, we characterized birnessite's response to applied potential using ex situ X-ray diffraction, electrochemical quartz crystal microbalance, in situ Raman spectroscopy and operando atomic force microscope dilatometry to provide a holistic understanding of its structural, gravimetric and mechanical responses. These observations are supported by atomic-scale simulations using density functional theory for the cation-intercalated structure of birnessite, ReaxFF reactive force field-based molecular dynamics and ReaxFF-based grand canonical Monte Carlo simulations on the dynamics at the birnessite-water-electrolyte interface. We show that capacitive charge storage in birnessite is governed by interlayer cation intercalation. We conclude that the intercalation appears capacitive due to the presence of nanoconfined interlayer structural water, which mediates the interaction between the intercalated cation and the birnessite host and leads to minimal structural changes.
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http://dx.doi.org/10.1038/s41563-021-01066-4DOI Listing
August 2021
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