Publications by authors named "Gang Li"

3,885 Publications

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A Computational Framework for Dissociating Development-Related from Individually Variable Flexibility in Regional Modularity Assignment in Early Infancy.

Med Image Comput Comput Assist Interv 2020 29;12267:13-21. Epub 2020 Sep 29.

Department of Radiology and Biomedical Research Imaging Center (BRIC), University of North Carolina at Chapel Hill, Chapel Hill, NC, USA.

Functional brain development in early infancy is a highly dynamic and complex process. Understanding each brain region's topological role and its development in the brain functional connectivity (FC) networks is essential for early disorder detection. A handful of previous studies have mostly focused on how FC network is changing regarding age. These approaches inevitably overlook the effect of individual variability for those at the same age that could shape unique cognitive capabilities and personalities among infants. With that in mind, we propose a novel computational framework based on across-subject across-age multilayer network analysis with a fully automatic (for parameter optimization), robust community detection algorithm. By detecting group consistent modules without losing individual information, this method allows a first-ever dissociation analysis of the two variability sources - age dependency and individual specificity - that greatly shape early brain development. This method is applied to a large cohort of 0-2 years old infants' functional MRI data during natural sleep. We not only detected the brain regions with greatest flexibility in this early developmental period but also identified five categories of brain regions with distinct development-related and individually variable flexibility changes. Our method is highly valuable for more thorough understanding of the early brain functional organizations and sheds light on early developmental abnormality detection.
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http://dx.doi.org/10.1007/978-3-030-59728-3_2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8320665PMC
September 2020

The Diagnosis and Treatment of Local Complications of Acute Necrotizing Pancreatitis in China: A National Survey.

Gastroenterol Res Pract 2021 10;2021:6611149. Epub 2021 Jul 10.

National Institute of Healthcare Data Science at Nanjing University, Nanjing, China.

Background: The optimal management strategy in acute necrotizing pancreatitis (ANP) is debated, and compliance with current guidelines in China is not known. In this study, we performed a national survey on this topic in China.

Methods: An online questionnaire about the diagnosis and treatment of local complications of ANP was distributed through a national collaborative network. The local and systemic complications were defined according to the Revised Atlanta Classification.

Results: There were 321 survey respondents from the 394 who opened the link (response rate 81%) from 208 hospitals located in 30/34 provinces across China. There was a lack of consensus in terms of early diagnosis of infected pancreatic necrosis (IPN) as the respondents chose to depend on clinical symptoms (70/321, 22%), organ failure (82/321, 26%), imaging changes (84/321, 26%), and fine needle aspiration (51/321, 16%), respectively. A "step-up" approach has been widely adopted in patients with IPN (294/321, 92%). The decision for initial intervention (without confirmed/suspected infection) was based on clinical condition, CT imaging, or laboratory indicators for most respondents (229/321, 71%).

Conclusion: While the "step-up" approach has been widely adopted, there is still significant variation in regard to the diagnosis of infection, the best timing for drainage, and the indications for early intervention.
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http://dx.doi.org/10.1155/2021/6611149DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8286200PMC
July 2021

Genome-wide SNPs clarify a complex radiation and support recognition of an additional cat species.

Mol Biol Evol 2021 Jul 28. Epub 2021 Jul 28.

PUCRS, Escola de Ciências da Saúde e da Vida, Laboratório de Biologia Genômica e Molecular, Porto Alegre, RS, Brazil.

Phylogenetic reconstruction and species delimitation are often challenging in the case of recent evolutionary radiations, especially when post-speciation gene flow is present. Leopardus is a Neotropical cat genus that has a long history of recalcitrant taxonomic problems, along with both ancient and current episodes of interspecies admixture. Here we employ genome-wide SNP data from all presently recognized Leopardus species, including several individuals from the tigrina complex (representing L. guttulus and two distinct populations of L. tigrinus), to investigate the evolutionary history of this genus. Our results reveal that the tigrina complex is paraphyletic, containing at least three distinct species. While one can be assigned to L. guttulus, the other two remain uncertain regarding their taxonomic assignment. Our findings indicate that the 'tigrina' morphology may be plesiomorphic within this group, which has led to a longstanding taxonomic trend of lumping these poorly known felids into a single species.
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http://dx.doi.org/10.1093/molbev/msab222DOI Listing
July 2021

Objective and Subjective Outcomes in Patients with Hearing Aids: A Cross-Sectional, Comparative, Associational Study.

Audiol Neurootol 2021 Jul 28:1-9. Epub 2021 Jul 28.

Hearing Center/Hearing and Speech Laboratory, Department of Otorhinolaryngology Head and Neck Surgery, West China Hospital, Sichuan University, Chengdu, China.

Introduction: Outcome assessment for hearing aids (HAs) is an essential part of HA fitting and validation. There is no consensus about the best or standard approach for evaluating HA outcomes. And, the relationship between objective and subjective measures is ambiguous. This study aimed to determine the outcomes after HA fitting, explore correlations between subjective benefit and acoustic gain improvement as well as objective audiologic tests, and investigate several variables that may improve patients' perceived benefits.

Methods: Eighty adults with bilateral symmetrical hearing loss using HAs for at least 1 month were included in this study. All subjects completed the pure tone average (PTA) threshold and word recognition score (WRS) tests in unaided and aided conditions. We also administered the Chinese version of International Outcome Inventory for Hearing Aids (IOI-HA), to measure participants' subjective benefits. Objective HA benefit (acoustic gain improvement) was defined as the difference in thresholds or scores between aided and unaided conditions indicated with ΔPTA and ΔWRS. Thus, patients' baseline hearing levels were taken into account. Correlations were assessed among objective audiologic tests (PTA and WRS), acoustic gain improvement (ΔPTA and ΔWRS), multiple potential factors, and IOI-HA overall scores.

Results: PTA decreased significantly, but WRS did not increase when aided listening was compared to unaided listening. Negative correlations between PTAs and IOI-HA scores were significant but weak (r = -0.370 and r = -0.393, all p < 0.05). Significant weak positive correlations were found between WRSs and IOI-HA (r = 0.386 and r = 0.309, all p < 0.05). However, there was no correlation among ΔPTA, ΔWRS, and IOI-HA (r = 0.056 and r = -0.086, all p > 0.05). Moreover, 2 nonaudiological factors (age and daily use time) were significantly correlated with IOI-HA (r = -0.269 and r = 0.242, all p < 0.05).

Conclusions: Correlations among objective audiologic tests, acoustic gain, and subjective patient-reported outcomes were weak or absent. Subjective questionnaires and objective tests do not reflect the same hearing capability. Therefore, it is advisable to evaluate both objective and subjective outcomes when analyzing HA benefits on a regular basis and pay equal attention to nonaudiological and audiological factors.
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http://dx.doi.org/10.1159/000516623DOI Listing
July 2021

The transcription factor PagLBD3 contributes to the regulation of secondary growth in Populus.

J Exp Bot 2021 Jul 27. Epub 2021 Jul 27.

College of Forestry, State Forestry and Grassland Administration Key Laboratory of Silviculture in downstream areas of the Yellow River, Shandong Agriculture University, Taian, Shandong 271018, China.

LATERAL ORGAN BOUNDARIES DOMAIN (LBD) genes encode plant-specific transcription factors that participate in regulating various developmental processes. In this study, we genetically characterized PagLBD3 as an important regulator of secondary growth in Populus. Overexpression of PagLBD3 increased stem secondary growth in Populus with significantly higher rate of cambial cells differentiated into phloem, while dominant repression of PagLBD3 significantly decreased the rate of cambial cells differentiated into phloem. Furthermore, we identified 1756 PagLBD3 genome-wide putative direct target genes (DTGs) through RNA sequencing (RNA-seq) coupled DNA affinity purification followed by sequencing (DAP-seq) assays. Gene Ontology analysis revealed that genes regulated by PagLBD3 were enriched in biological pathways regulating meristem development, xylem development, and auxin transport. Several central regulator genes for vascular development, including PHLOEM INTERCALATED WITH XYLEM (PXY), WUSCHEL RELATED HOMEOBOX4 (WOX4), Secondary Wall-Associated NAC Domain 1s (SND1-B2) and Vascular-Related NAC-Domain 6s (VND6-B1), were identified as PagLBD3 DTGs. Together, our results suggested that PagLBD3 and its DTGs form a complex transcriptional network to modulate cambium activity and phloem/xylem differentiation.
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http://dx.doi.org/10.1093/jxb/erab351DOI Listing
July 2021

Characterization of MW06, a human monoclonal antibody with cross-neutralization activity against both SARS-CoV-2 and SARS-CoV.

MAbs 2021 Jan-Dec;13(1):1953683

Department of Antibody Discovery and Development, Mabwell (Shanghai) Bioscience Co., Ltd, Shanghai, China.

The global pandemic of COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has resulted in widespread social and economic disruption. Effective interventions are urgently needed for the prevention and treatment of COVID-19. Neutralizing monoclonal antibodies (mAbs) have demonstrated their prophylactic and therapeutic efficacy against SARS-CoV-2, and several have been granted authorization for emergency use. Here, we discover and characterize a fully human cross-reactive mAb, MW06, which binds to both SARS-CoV-2 and SARS-CoV spike receptor-binding domain (RBD) and disrupts their interaction with angiotensin-converting enzyme 2 (ACE2) receptors. Potential neutralization activity of MW06 was observed against both SARS-CoV-2 and SARS-CoV in different assays. The complex structure determination and epitope alignment of SARS-CoV-2 RBD/MW06 revealed that the epitope recognized by MW06 is highly conserved among SARS-related coronavirus strains, indicating the potential broad neutralization activity of MW06. In assays, no antibody-dependent enhancement (ADE) of SARS-CoV-2 infection was observed for MW06. In addition, MW06 recognizes a different epitope from MW05, which shows high neutralization activity and has been in a Phase 2 clinical trial, supporting the development of the cocktail of MW05 and MW06 to prevent against future escaping variants. MW06 alone and the cocktail show good effects in preventing escape mutations, including a series of variants of concern, B.1.1.7, P.1, B.1.351, and B.1.617.1. These findings suggest that MW06 recognizes a conserved epitope on SARS-CoV-2, which provides insights for the development of a universal antibody-based therapy against SARS-related coronavirus and emerging variant strains, and may be an effective anti-SARS-CoV-2 agent.
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http://dx.doi.org/10.1080/19420862.2021.1953683DOI Listing
July 2021

Efficacy of Solitaire AB stent-release angioplasty in acute middle cerebral artery atherosclerosis obliterative cerebral infarction.

World J Clin Cases 2021 Jul;9(19):5028-5036

Department of Neurology, Puai Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430033, Hubei Province, China.

Background: In both national and international studies, the safety and effectiveness of treatment with the Solitaire stent in patients with ischemic stroke caused by acute large vessel occlusion were good, and the disability rate was significantly reduced. However, there are currently only a few reports on the differences in endovascular treatment for different etiological classifications, especially in the anterior cranial circulation, aorta atherosclerotic stenosis, and acute thrombosis.

Aim: To investigate the efficacy of Solitaire AB stent-release angioplasty in patients with acute middle cerebral artery atherosclerosis obliterative cerebral infarction.

Methods: Twenty-five patients with acute middle cerebral atherosclerosis obliterative cerebral infarction were retrospectively enrolled in this study from January 2017 to December 2019. The Solitaire AB stent was used to improve anterior blood flow to maintain modified cerebral infarction thrombolysis [modified thrombolysis in cerebral infarction (mTICI)] at the 2b/3 level or above, the stent was then unfolded and released.

Results: All 25 patients underwent successful surgery, with an average recanalization time of 23 min. One patient died of cerebral hemorrhage and cerebral herniation after the operation. The National Institutes of Health Stroke Scale (NIHSS) scores immediately after surgery (7.5 ± 5.6), at 24 h (5.5 ± 5.6) and at 1 wk (3.6 ± 6.7) compared with the preoperative NIHSS score (15.9 ± 4.4), were significantly different ( < 0.01). One case of restenosis was observed 3 mo after surgery (the stenosis rate was 50% without clinical symptoms), the modified Rankin scale scores were 0 points in 14 cases (56%), 1 point in 4 cases (16%), 2 points in 2 cases (8%), 3 points in 3 cases (12%), 4 points in 1 case (4%), and 6 points in 1 case (4%).

Conclusion: In acute middle cerebral artery atherosclerosis obliterative cerebral infarction, when the Solitaire AB stent is unfolded and the forward blood flow is maintained at mTICI level 2b/3 or higher, stent release may be a safe and effective treatment method; however, long-term observation and a larger sample size are required to verify these findings.
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http://dx.doi.org/10.12998/wjcc.v9.i19.5028DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8283618PMC
July 2021

The effect of exercises on the balance function and subjective quality of life in elderly, female knee osteoarthritis patients.

Am J Transl Res 2021 15;13(6):6710-6716. Epub 2021 Jun 15.

Department of Orthopaedics and Traumatology, Hubei Provincial Hospital of Traditional Chinese Medicine Wuhan 430074, Hubei, China.

Objective: To investigate the balance function and subjective quality of life in elderly female knee osteoarthritis patients KOAKOA treated with exercises.

Methods: A total of 284 elderly female patients with knee osteoarthritis (KOA) were randomly divided into an experimental group, which did exercises for 24-weeks (n=132), and a control group, which didn't do any regular physical exercises (n=134). The experimental group did exercises for 24 weeks, and the control group didn't engage in any regular physical exercise. We performed limits of stability (LOS) tests, static posture stability (SPS) tests, and dynamic fall index (DFI) tests to assess the patients' balance, and we administered the Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) questionnaire to evaluate the physical functioning of the patients' knees.

Results: The limits of stability (LOS) test, the static posture stability (SPS) test, and the dynamic fall index (DFI) test results were improved in the experimental group compared with the control group (P < 0.05). From baseline to the week 24 follow-up, the WOMAC tests, and the pain, joint stiffness, and lower limb muscle strength showed significant differences between the two groups (P < 0.05).

Conclusions: exercises are an effective treatment for elderly female patients with knee osteoarthritis, and can improve their balance and subjective quality of life. The therapy effectively alleviates the clinical symptoms of the elderly female knee osteoarthritis patients.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8290749PMC
June 2021

[Comparison of the diagnostic value of high frequency ultrasound and ultrasound-guided fine needle aspiration biopsy in papillary thyroid microcarcinoma].

Lin Chung Er Bi Yan Hou Tou Jing Wai Ke Za Zhi 2021 Aug;35(8):718-723

Department of Head and Neck Thyroid Surgery,Affiliated Hospital of Zhengzhou University,Henan Cancer Hospital,Zhengzhou,450008,China.

To explore the application value of high frequency ultrasound and ultrasound-guided fine needle aspiration biopsy(US-FNAB) in the diagnosis of papillary thyroid microcarcinoma(PTMC), and to compare the characteristics and value of the two methods, so as to find a more convenient and non-invasive diagnostic method of PTMC, reduce unnecessary puncture and operation. The data of 190 postoperative pathologically confirmed PTMC patients admitted to Henan Province Cancer Hospital and Henan Provincial Hospital from January to June 2020 were retrospectively analyzed, with a total of 305 nodules, including 198 PTMC nodules and 107 benign thyroid nodules(BTN). According to the postoperative pathological results, they were divided into groups, and the relationship between the ultrasound appearance of the nodules and whether the cervical lymph nodes could be explored and PTMC was analyzed by chi-square test and logistic regression, and its diagnostic value was evaluated. The Kappa consistency test was used to analyze the consistency between ultrasound, FNAB and surgical pathological diagnosis results. The accuracy, sensitivity and specificity of high-frequency ultrasound and US-FNAB were compared, and the ROC curve was used to calculate the maximum area under the curve to evaluate its effectiveness. The chi-square test showed that there were statistically significant differences in the morphology, margin, internal echo, echo uniformity, calcification, aspect ratio, blood flow signal, and whether the cervical lymph nodes can be detected and other ultrasound signs between the PTMC group and the BTN group. Logistic regression analysis showed that irregular shape, unclear edges, internal hypoechoic, intranodular calcification are independent risk factors for PTMC. By consistency test, the consistency between high-frequency ultrasound, US-FNAB examination and surgical pathological diagnosis was good, Kappa value was 0.802 and 0.893(<0.05). Each nodule was examined by high-frequency ultrasound, and the diagnostic sensitivity, specificity, accuracy and AUC were 95.45%, 83.18%, 91.15% and 0.877 respectively. US-FNAB was performed on 189 of 305 thyroid nodules, and the diagnostic sensitivity, specificity, accuracy and AUC were 96.03%, 93.65%, 95.24% and 0.948 respectively. High frequency ultrasonic features such as internal hypoechoic, calcification in the nodules, unclear edges, and irregular morphology are of high value for the diagnosis of PTMC. Through data analysis, both high-frequency ultrasound and US-FNAB examination have high diagnostic value for PTMC. Compared with US-FNAB, high-frequency ultrasound has the advantages of low examination cost, non-invasive, simple operation and so on. For some patients with PTMC who do not have high risk factors, ultrasound can be used to actively monitor disease progression to avoid some unnecessary surgery.
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http://dx.doi.org/10.13201/j.issn.2096-7993.2021.08.010DOI Listing
August 2021

Hub Long Noncoding RNAs with m6A Modification for Signatures and Prognostic Values in Kidney Renal Clear Cell Carcinoma.

Front Mol Biosci 2021 6;8:682471. Epub 2021 Jul 6.

Department of Urology, Tianjin Institute of Urology, The Second Hospital of Tianjin Medical University, Tianjin, China.

N6-methyladenosine (m6A)-modified long noncoding RNAs (m6A-lncRNAs) have been proven to be involving in regulating tumorigenesis, invasion, and metastasis for a variety of tumors. The present study aimed to screen lncRNAs with m6A modification and investigate their biological signatures and prognostic values in kidney renal clear cell carcinoma (KIRC). lncRNA-seq, miRNA-seq, and mRNA-seq profiles of KIRC samples and the clinical characteristics of corresponding patients were downloaded from The Cancer Genome Atlas (TCGA). The R package "edgeR" was utilized to perform differentially expressed analysis on these profiles to gain DElncRNAs, DEmiRNAs, and DEmRNAs, respectively. The results of intersection of DElncRNAs and m6A-modified genes were analyzed by the weighted gene co-expression network analysis (WGCNA) to screen hub m6A-lncRNAs. Then, WGCNA was also used to construct an lncRNA-miRNA-mRNA (ceRNA) network. The Cox regression analysis was conducted on hub m6A-lncRNAs to construct the m6A-lncRNAs prognostic index (m6AlRsPI). Receiver operating characteristic (ROC) curve was used to assess the predictive ability of m6AlRsPI. The m6AlRsPI model was tested by internal and external cohorts. The molecular signatures and prognosis for hub m6A-lncRNAs and m6AlRsPI were analyzed. The expression level of hub m6A-lncRNAs in KIRC cell lines were quantified by qRT-PCR. A total of 21 hub m6A-lncRNAs associated with tumor metastasis were identified in the light of WGCNA. The ceRNA network for 21 hub m6A-lncRNAs was developed. The Cox regression analysis was performed on the 21 hub m6A-lncRNAs, screening two m6A-lncRNAs regarded as independent prognostic risk factors. The m6AlRsPI was established based on the two m6A-lncRNAs as follows: (0.0006066 × expression level of LINC01820) + (0.0020769 × expression level of LINC02257). The cutoff of m6AlRsPI was 0.96. KM survival analysis for m6AlRsPI showed that the high m6AlRsPI group could contribute to higher mortality. The area under ROC curve for m6AlRsPI for predicting 3- and 5-year survival was 0.760 and 0.677, respectively, and the m6AlRsPI was also tested. The mutation and epithelial-mesenchymal transition (EMT) analysis for m6AlRsPI showed that the high m6AIRsPI group had more samples with gene mutation and had more likely caused EMT. Finally, gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were performed for mRNAs interacted with the two m6A-lncRNAs, showing they were involved in the process of RNA splicing and regulation of the mRNA surveillance pathway. qRT-PCR analysis showed that the two m6A-lncRNAs were upregulated in KIRC. In the present study, hub m6A-lncRNAs were determined associated with metastasis in KIRC, and the ceRNA network demonstrated the potential carcinogenic regulatory pathway. Two m6A-lncRNAs associated with the overall survival were screened and m6AlRsPI was constructed and validated. Finally, the molecular signatures for m6AlRsPI and the two m6A-lncRNAs were analyzed to investigate the potential modulated processes in KIRC.
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http://dx.doi.org/10.3389/fmolb.2021.682471DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8290079PMC
July 2021

Index-based dietary patterns and stomach cancer in a Chinese population.

Eur J Cancer Prev 2021 07 20. Epub 2021 Jul 20.

Department of Epidemiology, Fielding School of Public Health, University of California at Los Angeles (UCLA), Los Angeles, California, USA Department of Non-communicable Chronic Disease Control, Jiangsu Provincial Center for Disease Control and Prevention, Nanjing, Jiangsu Province Department of Epidemiology, School of Public Health, Fudan University, Shanghai Ganyu County Center for Disease Control and Prevention, Ganyu Dafeng County Center for Disease Control and Prevention, Dafeng Chuzhou County Center for Disease Control and Prevention, Chuzhou Tongshan County Center for Disease Control and Prevention, Tongshan, Jiangsu Province, China Jonsson Comprehensive Cancer Center, UCLA School of Nursing, UCLA, Los Angeles, California, USA Department of Epidemiology and Biostatistics, Peking University School of Public Health, Beijing, China Department of Social and Preventive Medicine, State University of New York at Buffalo, Buffalo, New York Center for Human Nutrition, Department of Medicine, UCLA David Geffen School of Medicine, University of California at Los Angeles (UCLA), Los Angeles, California, USA Department of Clinical Sciences and Community Health, University of Milan, Milan, Italy.

Objectives: Dietary factors are of importance in the development of stomach cancer. This study aims to examine index-based dietary patterns associated with stomach cancer in a Chinese population.

Methods: Using data from a population-based case-control study conducted in Jiangsu Province, China, we included a total of 8432 participants (1900 stomach cancer cases and 6532 controls). Dietary data collected by food frequency questionnaire was evaluated by modified Chinese Healthy Eating Index-2016 (mCHEI-2016) and the US Healthy Eating Index-2015 (HEI-2015). Multiple logistic regression analyses were applied to examine the association of mCHEI-2016 and HEI-2015 with stomach cancer while adjusting for potential confounders. The possible interactions between mCHEI-2016 or HEI-2015 and established risk factors were explored.

Results: Among nonproxy interviews, after adjusting for potential confounding factors, a higher score of sodium, reflecting lower intake per day, was inversely associated with stomach cancer [odds ratio (OR), 0.95; 95% CI, 0.91-0.99 for mCHEI-2016; OR, 0.97; 95% CI, 0.94-0.99 for HEI-2015]. No clear associations with stomach cancer were identified for total scores of HEI-2015 (OR, 0.98; 95% CI, 0.87-1.10 with a 10-point increase, P trend = 0.98) and mCHEI-2016 (OR, 1.05; 95% CI, 0.94-1.17 with a 10-point increase, P trend = 0.22). However, the relation between stomach cancer and the mCHEI-2016 was modified by BMI, with a possible inverse association in normal-weight subjects.

Conclusions: Our findings highlight that reduced intake of dietary sodium would prevent the development of stomach cancer. The data indicate a heterogeneity between normal weight and overweight's dietary factors in relation to stomach cancer.
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http://dx.doi.org/10.1097/CEJ.0000000000000705DOI Listing
July 2021

Effects of nano- or microplastic exposure combined with arsenic on soil bacterial, fungal, and protistan communities.

Chemosphere 2021 Oct 26;281:130998. Epub 2021 May 26.

State Key Laboratory of Urban and Regional Ecology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085, China.

The soil protistan community makes important contributions to the ecological functions of soil. However, our knowledge of the effects of pollutants, especially plastic particles, on the soil protistan community is still very limited compared to our knowledge on other soil microbes, such as bacterial and fungi. In this study, we revealed the effects of combined and single pollution caused by arsenic (As) and microplastics/nanoplastics (MPs/NPs) on bacterial, fungal and protistan communities. Our results revealed that combined pollution through As and MPs/NPs distinctly affected the composition and structure of the soil protistan communities (P < 0.05), but in the case of bacteria, only some families were altered, and there was no impact on fungi. Changes of soil protistan communities might be mainly due to As pollution, and MPs/NPs exposure increased this detrimental effect. Further, As + MPs exposure greatly increased the abundance of soil protistan parasites, and As + NPs exposure caused an evident decrease in the abundance of soil protistan consumers (P < 0.05). These findings indicate that combined pollution by As and MPs/NPs can affect the ecological functions of soil by altering soil protistan communities. These results will help enhance our understanding of the impact of plastic particles on soil ecosystems.
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http://dx.doi.org/10.1016/j.chemosphere.2021.130998DOI Listing
October 2021

Porous nerve guidance conduits reinforced with braided composite structures of silk/magnesium filaments for peripheral nerve repair.

Acta Biomater 2021 Jul 18. Epub 2021 Jul 18.

Department of Biomedical Engineering, 4 Colby Street, Tufts University, Medford, MA 02155, USA. Electronic address:

Peripheral nerve repair is a common but challenging surgical treatment. Many artificial nerve grafts have been developed, including nerve guidance conduits (NGCs) with biocompatibility, suitable mechanical properties and topography to guide axon growth. However, there remains a need to promote nerve regeneration and accelerate functional recovery using NGCs for nerve reconstruction. Here, silk fibroin (SF) and magnesium (S/Mg) filaments were braided into an inner layer of NGC and freeze-dried with a solution of SF and chitosan (CS). The mechanical stress of these S/Mg-SF/CS conduits reached 2.8 ± 0.2 N and possessed high compression strength. The conduits were evaluated with subcutaneous implantation. Sustainable mechanical function was demonstrated when used to repair 10 mm sciatic nerve gaps in rats. The hollow NGCs improved neurochemotaxis from the damaged nerves. The wet weight ratio of the gastrocnemius muscle, a target muscle for the sciatic nerve related to motor and sensory functions in the NGC group, reached 83.5% of that in the autologous group in 8 weeks; the nerve ports at both ends of the NGC grew well. When the distal end of the regenerated nerve was observed by Transmission Electron Microscopy (TEM), there was no significance difference in the diameter and thickness of the myelin sheath of the distal nerve between the autograft and S/Mg-SF/CS group, indicating that S/Mg-SF/CS NGC in this study promoted the growth of damaged nerves and provided appropriate physio mechanical guidance, thus suggesting potential utility for this approach in artificial nerve transplantation. STATEMENT OF SIGNIFICANCE: 1. Porous nerve guidance conduits (NGCs) is reinforced by a braided composite structure consisting of silk/magnesium filaments, which provides the NGC with appropriate physio-mechanical guidance as well as sufficient stability to support the biological micro-environment during early-stages of nerve regeneration and functional recovery. 2. Sufficient mechanical properties, biocompatibility with Schwan cells and good performance after sciatic nerve transplantation demonstrates that the S/Mg-SF/CS NGC in this study promotes the growth of damaged nerves and provides a suitable physio-mechanical guide for potential in artificial nerve transplantation. 3. A facile scalable manufacturing process is achieved by utilizing multidisciplinary engineering, such as textile technologies, biomaterial engineering and medical science.
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http://dx.doi.org/10.1016/j.actbio.2021.07.028DOI Listing
July 2021

Enhanced biohydrogen production from corn straw by basalt fiber addition.

Bioresour Technol 2021 Oct 13;338:125528. Epub 2021 Jul 13.

Key Laboratory of New Materials and Facilities for Rural Renewable Energy of Ministry of Agriculture and Rural Affairs, College of Mechanical & Electrical Engineering, Henan Agricultural University, Zhengzhou 450002, China; Henan International Joint Laboratory of Biomass Energy and Nanomaterials, Henan Agricultural University, Zhengzhou 450002, China; Henan Collaborative Innovation Center of Biomass Energy, Henan Agricultural University, Zhengzhou 450002, China. Electronic address:

The aim of this work was to study the impact of basalt fiber (BF) on hydrogen fermentation of corn straw. The maximum of hydrogen yield and corn straw conversion rate respectively achieved 323.94 mL and 5.23% by adding 1.5 g/L BF particle with the size of 300-400 mesh, which increased by 15.74% and 15.6% respectively than control group. The BF could promote the growth of photosynthetic bacteria, subsequently influencing the products distribution and hydrogen generation. Overall, this investigation demonstrated that BF addition is an effective way to enhance biohydrogen production from corn straw.
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http://dx.doi.org/10.1016/j.biortech.2021.125528DOI Listing
October 2021

Enhanced biohydrogen production from corn straw by basalt fiber addition.

Bioresour Technol 2021 Oct 13;338:125528. Epub 2021 Jul 13.

Key Laboratory of New Materials and Facilities for Rural Renewable Energy of Ministry of Agriculture and Rural Affairs, College of Mechanical & Electrical Engineering, Henan Agricultural University, Zhengzhou 450002, China; Henan International Joint Laboratory of Biomass Energy and Nanomaterials, Henan Agricultural University, Zhengzhou 450002, China; Henan Collaborative Innovation Center of Biomass Energy, Henan Agricultural University, Zhengzhou 450002, China. Electronic address:

The aim of this work was to study the impact of basalt fiber (BF) on hydrogen fermentation of corn straw. The maximum of hydrogen yield and corn straw conversion rate respectively achieved 323.94 mL and 5.23% by adding 1.5 g/L BF particle with the size of 300-400 mesh, which increased by 15.74% and 15.6% respectively than control group. The BF could promote the growth of photosynthetic bacteria, subsequently influencing the products distribution and hydrogen generation. Overall, this investigation demonstrated that BF addition is an effective way to enhance biohydrogen production from corn straw.
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http://dx.doi.org/10.1016/j.biortech.2021.125528DOI Listing
October 2021

Fluorescence regulation derived from Euin miscible-order fluoride-phosphate blocky phosphor.

Nanotechnology 2021 Aug 4;32(43). Epub 2021 Aug 4.

Research Institute of Photonics, Dalian Polytechnic University, Dalian 116034, People's Republic of China.

Miscible-order fluoride-phosphate blocky phosphor (FBP), composed with ordered-phase of NaYFcrystals and unordered phase of tin-fluorophosphate glass, is prepared by a two-step process and luminescent properties of FBPs embedded with different particle sizes of NaYFcrystals are presented. High-frequency fluorescence from higher metastableD( = 1, 2 and 3) energy levels are effectively released in Eudoped fluoride crystals. Taking the blue emission of Snas the framework, multi-peak emissions from metastable energy levels are controlled to adjust the color coordinates of the FBP to the white-light region, which the color rendering index (CRI) reaches 89. Tunable color FBP with high CRI retains splendid luminescence property of fluoride, providing a potential candidate for the development of white LED.
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http://dx.doi.org/10.1088/1361-6528/ac15c7DOI Listing
August 2021

Low-dose immune tolerance induction alone or with immunosuppressants according to prognostic risk factors in Chinese children with hemophilia A inhibitors.

Res Pract Thromb Haemost 2021 Jul 14;5(5):e12562. Epub 2021 Jul 14.

Hemophilia Comprehensive Care Center Hematology Center Beijing Key Laboratory of Pediatric Hematology Oncology National Key Discipline of Pediatrics (Capital Medical University) Key Laboratory of Major Diseases in Children Ministry of Education Beijing Children's Hospital National Center for Children's Health Capital Medical University Beijing China.

Background: In developing countries, children with hemophilia A (HA) with high-titer inhibitor and poor immune tolerance induction (ITI) prognostic risk(s) cannot afford the recommended high- or intermediate-dose ITI.

Objectives: To determine the efficacy of low-dose ITI (plasma-derived factor VIII [FVIII]/von Willebrand factor at 50 FVIII IU/kg every other day) by itself (ITI-alone) or combined with immunosuppressants rituximab and prednisone (ITI-IS) in children with HA with high-titer inhibitor.

Methods: All enrolled patients had pre-ITI inhibitor ≥10 BU. We used ITI-alone if inhibitor titer was <40 BU pre-ITI and during ITI, and ITI-IS if titer was ≥100 BU (historic) or ≥40 BU (pre- or during ITI) or if the patient was nonresponsive on ITI-alone.

Results: Fifty-six children were analyzable, with median historic peak inhibitor titer 48.0 BU and followed for median 31.4 months. Overall, 35 (62.5%) achieved phase 2 success with negative inhibitor and normal FVIII recovery. The phase 2 success rate was 95% for the 20 patients receiving ITI-alone. For the 36 patients receiving ITI-IS, the phase 2 success rate was 44.4%, but would increase to 63.6% if the 14 patients with historic peak inhibitor titer ≥100 BU (and having phase 2 success rate of only 14.3%) were excluded. One patient developed repeated infection after IS treatment. Relapse occurred in 11.4% (4/35) patients with phase 2 success associated with rapid ITI dose reduction or irregular post-ITI FVIII prophylaxis. Our strategy reduced the cost from high-dose ITI by 74% to 90%.

Conclusion: The use of low-dose ITI with or without immunosuppressants according to ITI prognostic risk(s) is a clinically and economically feasible strategy for eradicating inhibitors in children with HA, particularly for those with historic peak inhibitor titer <100 BU.
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http://dx.doi.org/10.1002/rth2.12562DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8279128PMC
July 2021

A flexible joint model for multiple longitudinal biomarkers and a time-to-event outcome: With applications to dynamic prediction using highly correlated biomarkers.

Biom J 2021 Jul 17. Epub 2021 Jul 17.

Department of Biostatistics, University of California at Los Angeles, Los Angeles, CA, USA.

In biomedical studies it is common to collect data on multiple biomarkers during study follow-up for dynamic prediction of a time-to-event clinical outcome. The biomarkers are typically intermittently measured, missing at some event times, and may be subject to high biological variations, which cannot be readily used as time-dependent covariates in a standard time-to-event model. Moreover, they can be highly correlated if they are from in the same biological pathway. To address these issues, we propose a flexible joint model framework that models the multiple biomarkers with a shared latent reduced rank longitudinal principal component model and correlates the latent process to the event time by the Cox model for dynamic prediction of the event time. The proposed joint model for highly correlated biomarkers is more flexible than some existing methods since the latent trajectory shared by the multiple biomarkers does not require specification of a priori parametric time trend and is determined by data. We derive an expectation-maximization (EM) algorithm for parameter estimation, study large sample properties of the estimators, and adapt the developed method to make dynamic prediction of the time-to-event outcome. Bootstrap is used for standard error estimation and inference. The proposed method is evaluated using simulations and illustrated on a lung transplant data to predict chronic lung allograft dysfunction (CLAD) using chemokines measured in bronchoalveolar lavage fluid of the patients.
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http://dx.doi.org/10.1002/bimj.202000085DOI Listing
July 2021

Correction: Procollagen-lysine 2-oxoglutarate 5-dioxygenase 2 promotes hypoxia-induced glioma migration and invasion.

Oncotarget 2021 Jul 6;12(14):1442-1443. Epub 2021 Jul 6.

Department of Neurosurgery, Qilu Hospital of Shandong University and Brain Science Research Institute, Shandong University, Jinan 250012, China.

[This corrects the article DOI: 10.18632/oncotarget.15581.].
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http://dx.doi.org/10.18632/oncotarget.28003DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8274718PMC
July 2021

Performance of Regression Models as a Function of Experiment Noise.

Bioinform Biol Insights 2021 27;15:11779322211020315. Epub 2021 Jun 27.

Department of Biology and Biological Engineering, Chalmers University of Technology, Gothenburg, Sweden.

Background: A challenge in developing machine learning regression models is that it is difficult to know whether maximal performance has been reached on the test dataset, or whether further model improvement is possible. In biology, this problem is particularly pronounced as sample labels (response variables) are typically obtained through experiments and therefore have experiment noise associated with them. Such label noise puts a fundamental limit to the metrics of performance attainable by regression models on the test dataset.

Results: We address this challenge by deriving an expected upper bound for the coefficient of determination ( ) for regression models when tested on the holdout dataset. This upper bound depends only on the noise associated with the response variable in a dataset as well as its variance. The upper bound estimate was validated via Monte Carlo simulations and then used as a tool to bootstrap performance of regression models trained on biological datasets, including protein sequence data, transcriptomic data, and genomic data.

Conclusions: The new method for estimating upper bounds for model performance on test data should aid researchers in developing ML regression models that reach their maximum potential. Although we study biological datasets in this work, the new upper bound estimates will hold true for regression models from any research field or application area where response variables have associated noise.
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http://dx.doi.org/10.1177/11779322211020315DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8243133PMC
June 2021

Downregulation of tumor-derived exosomal miR-34c induces cancer-associated fibroblast activation to promote cholangiocarcinoma progress.

Cancer Cell Int 2021 Jul 14;21(1):373. Epub 2021 Jul 14.

Department of Hepatobiliary Surgery, Henan Provincial People's Hospital, Zhengzhou University People's Hospital, Henan University People's Hospital, No.7 Weiwu Road, Zhengzhou, Henan, 450003, China.

Background: This study aimed to investigate the exact regulatory mechanisms of exosomal miR-34c in mediating communication between cholangiocarcinoma cells and fibroblasts.

Methods: Exosomes were isolated from HuCCT-1 and HIBEC cells using differential ultracentrifugation and identified by transmission electron microscopy (TEM) and nanoparticle tracking analysis (NTA) method. Real-time quantitative PCR (qRT-PCR) and western blotting analyses were performed to assess the levels of pro-inflammatory factors, and fibroblast-related proteins and Wnt-linked signaling pathway proteins, respectively. Exosome-tracking was performed with confocal microscopy. The 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyl tetrazolium bromide (MTT) and Transwell assays were used to measure cell proliferation and migration, respectively. Further, the oncogenicity of cholangiocarcinoma cells was analyzed in nude mice transplanted tumor model.

Results: The analysis suggested that the expression of miR-34c was decreased in exosomes from HuCCT-1 cells. Moreover, miR-34c in exosomes mediated fibroblast activation by directly targeting WNT1. Additionally, cancer-associated fibroblasts (CAFs) activated by downregulation of exosomal miR-34c promoted cholangiocarcinoma progression.

Conclusions: Thus, miR-34c in exosomes was found to be a key player in regulating intercellular communication between tumor cells and fibroblasts.
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http://dx.doi.org/10.1186/s12935-020-01726-6DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8278610PMC
July 2021

[Effect of acupuncture on insomnia: a functional magnetic resonance imaging study].

Zhongguo Zhen Jiu 2021 Jul;41(7):767-73

Shaanxi University of CM, Xianyang 712000.

Objective: To observe the efficacy of acupuncture (acupuncture for brain-invigorating and mind-calming) on insomnia, and the dynamic changes of functional magnetic resonance imaging (fMRI) before and after acupuncture, to provide neuroimaging basis of acupuncture for insomnia.

Methods: A total of 58 participants were included. Of them, 29 patients with insomnia were included into an observation group, and 29 healthy participants were included into a control group. The patients in the observation group were treated with acupuncture at Baihui (GV 20), bilateral Sishencong (EX-HN 1), Fengfu (GV 16), Fengchi (GB 20), Qiangjian (GV 18), occipital sideline, Anmian (Extra), Yiming (EX-HN 14) and Dazhui (GV 14); treatment was given once a day, 10 days as a course of treatment, and a total of 2 courses of treatment was given. The resting-state fMRI data was collected in the observation group before and after treatment. The participants in the control group received no treatment, and the resting-state fMRI data was collected only once. The resting-state fMRI data in the observation group before treatment and in the control group, also the observation group before and after treatment were compared. The Pittsburgh sleep quality index (PSQI), insomnia severity index (ISI), daytime insomnia symptom scale (DISS), hyperarousal scale (HAS), Hamilton anxiety scale (HAMA), Hamilton depression scale (HAMD), digit symbol test, mini-mental state examination (MMSE), Montreal cognitive assessment (MoCA) and the A, B speed of trail making test (NCT) were observed in the observation group before and after treatment. The clinical efficacy of the observation group was evaluated.

Results: The total effective rate was 89.7% (26/29) in the observation group. In the observation group, the scores of PSQI, ISI and DISS, the A, B speed of NCT were all decreased after treatment (<0.01, <0.05). Before treatment, compared with the control group, functional connectivity in ventral dorsal prefrontal cortex, dorsal anterior cingulate cortex, inferior parietal lobe, dorsal lateral prefrontal cortex, dorsal anterior cingulate cortex, left ventral anterior cingulate gyrus and right ventral anterior cingulate gyrus was reduced in the observation group; compared before treatment, the functional connectivity in lingual gyrus, cerebellar area 6, frontal lobe, insular lobe and anterior cingulate gyrus, premotor gyrus and posterior cingulate gyrus was increased after treatment in the observation group. After treatment, the functional connection intensity of left ventral caudate nucleus and insular lobe was negatively correlated with HAMD score in the observation group ( =-0.55, <0.05), and the functional connection intensity of left ventral caudate nucleus and anterior cingulate gyrus was negatively correlated with HAMA score in the observation group ( =-0.47, <0.05).

Conclusion: The acupuncture could effectively improve the sleep quality in patients with insomnia, and acupuncture could enhance the connection of left dorsal, right ventral and left ventral caudate nucleus with brain area.
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http://dx.doi.org/10.13703/j.0255-2930.20200325-0006DOI Listing
July 2021

Metamorphopsia and Morphological Changes in the Macula after Scleral Buckling Surgery for Macula-Off Rhegmatogenous Retinal Detachment.

J Ophthalmol 2021 25;2021:5525049. Epub 2021 Jun 25.

Department of Ophthalmology, Eye and ENT Hospital, Fudan University, Shanghai, China.

Purpose: To observe the changes in metamorphopsia after scleral buckling (SB) surgery for macula-off rhegmatogenous retinal detachment (RRD) and its association with morphological changes in the macula.

Methods: This prospective study included 20 eyes of 20 patients. Before surgery and 1, 3, 6, and 12 months after surgery, metamorphopsia measured by -charts and best-corrected visual acuity (BCVA) and macular microstructures assessed using optical coherence tomography were recorded.

Results: Both the vertical and horizontal -scores improved significantly after SB surgery. BCVA also improved gradually. The mean -score in the eyes with a continuous external limiting membrane (ELM) was smaller than that in the eyes with a disrupted ELM (=0.008). Preoperative and postoperative BCVA did not correlate with the mean -score at any time point. The other studied parameters, namely, the duration of RRD, the height of retinal detachment, central foveal thickness, inner nuclear layer thickness, and continuation of the ellipsoid zone, were also not relevant.

Conclusions: The continuation of the ELM may be a critical factor in determining the severity of metamorphopsia after SB surgery for macula-off RRD.
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http://dx.doi.org/10.1155/2021/5525049DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8253631PMC
June 2021

Assembling Hybrid Energetic Materials with Controllable Interfacial Microstructures by Electrospray.

ACS Omega 2021 Jul 24;6(26):16816-16825. Epub 2021 Jun 24.

Fire & Explosion Protection Laboratory, Northeastern University, Shenyang 110819, China.

Constructing hybrid energetic materials (HEMs) consisting of nanothermites and organic high explosives is an efficient strategy to regulate the reactivity of energetic composites. To investigate the role of interfacial microstructures in determining the reactivity of HEMs, we employ electrospray, one ramification of electrohydrodynamic atomization, to assemble Al/CuO and hexanitrohexaazaisowurtzitane (CL-20) into composites with various morphologies from different solvent systems. The morphology and compositional information of the assembled clay-like or granular HEMs, which are obtained from ketone, ester, or mixtures of alcohol and ether, are confirmed by scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS). The phase transition of CL-20 due to the fast evaporation of charged droplets and insufficient time for recrystallization is studied by Fourier transform infrared spectroscopy (FTIR). Thermogravimetric-differential scanning calorimetry (TG-DSC) is applied to investigate the thermodynamic behaviors and synergistic effect of the nanothermite and high explosive. Enhancements in combustion performance and pressurization characteristics of the as-sprayed HEMs have been observed through open burn tests and pressure cell tests. Granular HEMs show high gas generation and high pressurization rate, while nitrocellulose (NC) fibers existing in the clay-like HEMs would weaken the reactivity to a certain extent. HEMs obtained from the mixture of -propanol and diethyl ether, in which nano-CL-20 exists as independent particles rather than a matrix, exhibit high gas generation but low pressurization rate. The results indicate that the energy releasing performance of the prepared HEMs can be readily regulated by constructing various interfacial microstructures to satisfy the broad requirements of energy sources.
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http://dx.doi.org/10.1021/acsomega.1c01371DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8264831PMC
July 2021

Efficacy and Safety of Bone Marrow-Derived Mesenchymal Stem Cells for Chronic Antibody-Mediated Rejection After Kidney Transplantation- A Single-Arm, Two-Dosing-Regimen, Phase I/II Study.

Front Immunol 2021 25;12:662441. Epub 2021 Jun 25.

Organ Transplant Center, the First Affiliated Hospital, Sun Yat-sen University, Guangzhou, China.

Objective: To investigate the efficacy and safety of bone marrow-derived mesenchymal stem cells (BM-MSCs) on chronic active antibody-mediated rejection (cABMR) in the kidney allograft.

Methods: Kidney recipients with biopsy-proven cABMR were treated with allogeneic third-party BM-MSCs in this open-label, single-arm, single-center, two-dosing-regimen phase I/II clinical trial. In Regimen 1 (n=8), BM-MSCs were administered intravenously at a dose of 1.0×10 cells/kg monthly for four consecutive months, while in Regimen 2 (n=15), the BM-MSCs dose was 1.0×10 cells/kg weekly during four consecutive weeks. The primary endpoints were the absolute change of estimated glomerular filtration rate (eGFR) from baseline (delta eGFR) and the incidence of adverse events associated with BM-MSCs administration 24 months after the treatment. Contemporaneous cABMR patients who did not receive BM-MSCs were retrospectively analyzed as the control group (n =30).

Results: Twenty-three recipients with cABMR received BM-MSCs. The median delta eGFR of the total BM-MSCs treated patients was -4.3 ml/min per 1.73m (interquartile range, IQR -11.2 to 1.2) 2 years after BM-MSCs treatment (P=0.0233). The median delta maximum donor-specific antibody (maxDSA) was -4310 (IQR -9187 to 1129) at 2 years (P=0.0040). The median delta eGFR of the control group was -12.7 ml/min per 1.73 m (IQR -22.2 to -3.5) 2 years after the diagnosis, which was greater than that of the BM-MSCs treated group (P=0.0342). The incidence of hepatic enzyme elevation, BK polyomaviruses (BKV) infection, cytomegalovirus (CMV) infection was 17.4%, 17.4%, 8.7%, respectively. There was no fever, anaphylaxis, phlebitis or venous thrombosis, cardiovascular complications, or malignancy after BM-MSCs administration. Flow cytometry analysis showed a significant decreasing trend of CD27IgD double negative B cells subsets and trend towards the increase of CD3CD4PD-1/lymphocyte population after MSCs therapy. Multiplex analysis found TNF-α, CXCL10, CCL4, CCL11 and RANTES decreased after MSCs treatment.

Conclusion: Kidney allograft recipients with cABMR are tolerable to BM-MSCs. Immunosuppressive drugs combined with intravenous BM-MSCs can delay the deterioration of allograft function, probably by decreasing DSA level and reducing DSA-induced injury. The underlying mechanism may involve immunomodulatory effect of MSCs on peripheral B and T cells subsets.
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http://dx.doi.org/10.3389/fimmu.2021.662441DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8267917PMC
June 2021

Corrigendum: Dl-3-n-Butylphthalide Reduces Cognitive Deficits and Alleviates Neuropathology in P301S Tau Transgenic Mice.

Front Neurosci 2021 25;15:716049. Epub 2021 Jun 25.

Department of Neurology, Union Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan, China.

[This corrects the article DOI: 10.3389/fnins.2021.620176.].
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http://dx.doi.org/10.3389/fnins.2021.716049DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8268014PMC
June 2021

Accurate quantitative determination of affinity and binding kinetics for tight binding inhibition of xanthine oxidase.

Biomed Pharmacother 2021 Jul 13;139:111664. Epub 2021 May 13.

Zhongcai Health (Beijing) Biological Technology Development Co., Ltd., Beijing 101500, China. Electronic address:

The accurate quantitative determination of affinity and binding kinetics (BK) for tight binding inhibition is extraordinary important from both the continuous optimization of compounds, particularly in developing structure-activity relationships (SAR), and the prediction of in vivo target occupancy (TO). Due to the unique properties for tight binding inhibition that the inhibitors are characterized by the ultrahigh-affinity, relatively fast association to the target enzyme combined with extremely slow dissociation of the inhibitor-enzyme binary complex, the classical steady state equilibrium methods are no longer valid. Here, we made several recommendations of how to design the optimal experiments and apply special mathematical calculation approaches to quantitatively evaluate the accurate affinity and BK as the examples of two tight binding inhibitors against the xanthine oxidase (XO), as well as compared the differences in the results calculated from the different data analytical methods and analyzed the influence of these differences on the XO engagement in human. Analysis of the results displayed that the accurate apparent dissociation constant (K) was 0.2 ± 0.06 nM for topiroxotstat and was 0.45 ± 0.2 nM for febuxostat; that on-rate (k) was (4.3 ± 1.1) × 10 Ms for topiroxotstat and was(133.3 ± 3.5) × 10 Ms for febuxostat, and off-rate (k) was (1.0±0.2) × 10 s for topiroxotstat and was ≤ 0.16 × 10 sfor febuxostat. Moreover, there were significant differences in the K and k values estimated using the appropriate specialized methods for tight binding inhibition versus classical steady state equilibrium methods, with the substantial differences of 14-fold and 32-fold reduction for topiroxostat, respectively, and of 9.6-fold and ≥ 213-fold reduction for febuxostat, while the k values remain the moderate differences for the two inhibitors. The obvious greater AUC of XO engagement time courses and longer durations of above 70% engagement by the appropriate specialized methods for tight binding inhibition were observed that the results display the differences of 70.1% and 88%, respectively for topiroxostat and of 38.1% and 35.0%, respectively for febuxostat in human liver cell than by classical steady state equilibrium methods. Again, our studies provide several valuable recommendations of the optimal experiment protocols and appropriate analytical approaches for accurately quantitatively assessing the affinity and BK parameters as well as demonstrate the ability of our recommended methods to generate reliable data for tight binding inhibitors against XO.
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http://dx.doi.org/10.1016/j.biopha.2021.111664DOI Listing
July 2021

Precise Amphiphilic Giant Polymeric Chain Based on Nanosized Monomers with Exact Regio-Configuration.

ACS Nano 2021 Jul 8. Epub 2021 Jul 8.

South China Advanced Institute for Soft Matter Science and Technology, School of Molecular Science and Engineering, South China University of Technology, Guangzhou 510640, China.

Polymeric chains made of "giant" monomers at a larger length scale provide intriguing insights into the fundamental principles of polymer science. In this study, we modularly prepared a library of discrete amphiphilic polymeric chains using molecular nanoparticles as repeat units, with exact control of composition, chain length, surface property, and regio-configuration. These giant polymeric chains self-assembled into a rich collection of highly ordered phases. The precise chemical structure and uniform chain length eliminate all the inherent molecular "defects", while the nanosized monomer amplifies minute structural differences, providing an ideal platform for a systematic scrutiny of the self-assembly behaviors at a larger length scale. The compositional and regio-configurational contribution was carefully studied. The regio-regularity is found to have a direct and profound impact on the chain conformation, leading to a distinct molecular packing scheme and therefore shifting the phase boundaries. With increasing the length of the linker, the regio-constraint gradually diminishes, and the neighboring particles would eventually be decoupled.
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http://dx.doi.org/10.1021/acsnano.1c04486DOI Listing
July 2021

Tandem Affinity Purification (TAP) of Low-Abundance Protein Complexes in Filamentous Fungi Demonstrated Using Magnaporthe oryzae.

Methods Mol Biol 2021 ;2356:97-108

Department of Plant Pathology, University of Nebraska-Lincoln, Lincoln, NE, USA.

Protein-protein interactions underlie cellular structure and function. In recent years, a number of methods have been developed for the identification of protein complexes and component proteins involved in the control of various biological pathways. Tandem affinity purification (TAP) coupled with mass spectrometry (MS) is a powerful method enabling the isolation of high-purity native protein complexes under mild conditions by performing two sequential purification steps using two different epitope tags. In this protocol, we describe a TAP-MS methodology for identifying protein-protein interactions present at very low levels in the fungal cell. Using the 6xHis-3xFLAG double tag, we start the affinity purification process for our protein of interest using high-capacity Ni columns. This allows for greatly increased sample input compared to antibody-based first-step purification in conventional TAP protocols and provides a large amount of highly concentrated and preliminarily purified protein complexes to be used in a second purification step involving FLAG immunoprecipitation. The second step greatly facilitates the capture of low-level interacting partners under in vivo conditions. Our TAP-MS method has been proven to secure the characterization of low-abundance protein complexes under physiological conditions with high efficiency, specificity, and economy in the filamentous fungus Magnaporthe oryzae and might benefit gene function and proteomics studies in plants and other research fields.
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http://dx.doi.org/10.1007/978-1-0716-1613-0_8DOI Listing
January 2021

Preparation and Electrochemical Characterization of La and Al Co-doped NCM811 Cathode Materials.

ACS Omega 2021 Jun 15;6(25):16465-16471. Epub 2021 Jun 15.

Sino-German Robotics School, Shenzhen Institute of Information Technology, Shenzhen 518172, China.

LiNiCoMnO (NCM811) became a research hot point because of its low cost, environmental friendliness, and excellent electrochemical performance. However, Li/Ni intermixing is an essential factor affecting its applicability. Doping could be an important method to improve the electrochemical performance of NCM811-based cathode materials. In this work, La and Al co-doped NCM811 was prepared by a solid-state method. Results from X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive spectroscopy (EDS) and electrochemical performance were discussed in depth. These showed that when La and Al doping concentrations were 1 and 0.5%, the samples showed the best performance. The as-improved performances were mainly attributed to the reduced Li/Ni intermixing, suppressed phase transition, and decreased potential polarization and impedance.
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http://dx.doi.org/10.1021/acsomega.1c01552DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8246467PMC
June 2021
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