Publications by authors named "Wei Zheng"

3,449 Publications

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Multicenter analysis and a rapid screening model to predict early novel coronavirus pneumonia using a random forest algorithm.

Medicine (Baltimore) 2021 Jun;100(24):e26279

Department of Infectious Diseases, Zhejiang Provincial People's Hospital, People's Hospital of Hangzhou Medical College, Hangzhou 310014.

Abstract: Early determination of coronavirus disease 2019 (COVID-19) pneumonia from numerous suspected cases is critical for the early isolation and treatment of patients.The purpose of the study was to develop and validate a rapid screening model to predict early COVID-19 pneumonia from suspected cases using a random forest algorithm in China.A total of 914 initially suspected COVID-19 pneumonia in multiple centers were prospectively included. The computer-assisted embedding method was used to screen the variables. The random forest algorithm was adopted to build a rapid screening model based on the training set. The screening model was evaluated by the confusion matrix and receiver operating characteristic (ROC) analysis in the validation.The rapid screening model was set up based on 4 epidemiological features, 3 clinical manifestations, decreased white blood cell count and lymphocytes, and imaging changes on chest X-ray or computed tomography. The area under the ROC curve was 0.956, and the model had a sensitivity of 83.82% and a specificity of 89.57%. The confusion matrix revealed that the prospective screening model had an accuracy of 87.0% for predicting early COVID-19 pneumonia.Here, we developed and validated a rapid screening model that could predict early COVID-19 pneumonia with high sensitivity and specificity. The use of this model to screen for COVID-19 pneumonia have epidemiological and clinical significance.
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http://dx.doi.org/10.1097/MD.0000000000026279DOI Listing
June 2021

Performance of African-ancestry-specific polygenic hazard score varies according to local ancestry in 8q24.

Prostate Cancer Prostatic Dis 2021 Jun 14. Epub 2021 Jun 14.

School of Public Health, Louisiana State University Health Sciences Center, New Orleans, LA, USA.

Background: We previously developed an African-ancestry-specific polygenic hazard score (PHS46+African) that substantially improved prostate cancer risk stratification in men with African ancestry. The model consists of 46 SNPs identified in Europeans and 3 SNPs from 8q24 shown to improve model performance in Africans. Herein, we used principal component (PC) analysis to uncover subpopulations of men with African ancestry for whom the utility of PHS46+African may differ.

Materials And Methods: Genotypic data were obtained from the PRACTICAL consortium for 6253 men with African genetic ancestry. Genetic variation in a window spanning 3 African-specific 8q24 SNPs was estimated using 93 PCs. A Cox proportional hazards framework was used to identify the pair of PCs most strongly associated with the performance of PHS46+African. A calibration factor (CF) was formulated using Cox coefficients to quantify the extent to which the performance of PHS46+African varies with PC.

Results: CF of PHS46+African was strongly associated with the first and twentieth PCs. Predicted CF ranged from 0.41 to 2.94, suggesting that PHS46+African may be up to 7 times more beneficial to some African men than others. The explained relative risk for PHS46+African varied from 3.6% to 9.9% for individuals with low and high CF values, respectively. By cross-referencing our data set with 1000 Genomes, we identified significant associations between continental and calibration groupings.

Conclusion: We identified PCs within 8q24 that were strongly associated with the performance of PHS46+African. Further research to improve the clinical utility of polygenic risk scores (or models) is needed to improve health outcomes for men of African ancestry.
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http://dx.doi.org/10.1038/s41391-021-00403-7DOI Listing
June 2021

Anaplasma phagocytophilum AptA enhances the UPS, autophagy, and anti-apoptosis of host cells by PSMG3.

Int J Biol Macromol 2021 Jun 11. Epub 2021 Jun 11.

International Research Center for Animal Health Breeding, College of Animal Science and Technology, Shihezi University, 832003 Shihezi, Xinjiang, China; Collaborative Innovation Center for prevention and control of high incidence zoonotic infectious diseases in Western China, College of Animal Science and Technology, Shihezi University, 832003 Shihezi, Xinjiang, China. Electronic address:

Anaplasma phagocytophilum is an obligate intracellular bacterium and a common tick-borne infectious pathogen that can cause human granulocytic anaplasmosis (HGA). Effector proteins play an important role in the pathogenic mechanism of A. phagocytophilum, but the specifics of the disease mechanism are unclear. We studied the effector protein AptA (A. phagocytophilum toxin A) using yeast two hybrid assays to screen its interacting protein proteasome assembly chaperone 3 (PSMG3, PAC3), and identified new mechanisms for the pathogenicity of A. phagocytophilum in HEK293T cells. After AptA enters the host cell, it interacts with PSMG3 to enhance the activity of the proteasome, causing ubiquitination and autophagy in the host cell and thereby increasing cross-talk between the ubiquitination-proteasome system (UPS) and autophagy. AptA also reduces the apoptotic efficiency of the host cells. These results offer new clues as to the pathogenic mechanism of A. phagocytophilum and support the hypothesis that AptA interacts with host PSMG3.
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http://dx.doi.org/10.1016/j.ijbiomac.2021.06.039DOI Listing
June 2021

Customized Photothermal Therapy of Subcutaneous Orthotopic Cancer by Multichannel Luminescent Nanocomposites.

Adv Mater 2021 Jun 13:e2008615. Epub 2021 Jun 13.

Beijing Key Laboratory for Optical Materials and Photonic Devices & Department of Chemistry, Capital Normal University, Beijing, 100048, China.

Photothermal therapy (PTT) is a potentially advanced strategy for highly precise cancer treatment. Tumor-microenvironment-activatable agents provide useful tools for PTT, but their photothermal conversion capacities vary and cannot be evaluated in vivo; thus, a general PTT prescription does not work with individual activatable agents. Here, glutathione (GSH)-activatable nanocomposites, silicomolybdate-functionalized NaLuF :Yb,[email protected] @NaLuF :Nd are prepared, for customized PTT of subcutaneous orthotopic cancer. By simultaneously determining intratumoral GSH concentration and the amount of accumulated agent using multiple orthogonal luminescent emissions of nanocomposites, near-infrared absorbance of photothermal conversion agents is evaluated in vivo, based on the optimized irradiating prescriptions (irradiating power density and time) established. This allows customized PTT of each individual case with high efficacy and viability. This work also includes a method for investigating individual intratumoral variation, and the development of the next generation of customized nanomedicine for efficacious PTT of subcutaneous orthotopic cancer.
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http://dx.doi.org/10.1002/adma.202008615DOI Listing
June 2021

Legume Consumption and Gut Microbiome in Elderly Chinese Men and Women.

J Nutr 2021 Jun 10. Epub 2021 Jun 10.

Division of Epidemiology, Department of Medicine, Vanderbilt Epidemiology Center, Vanderbilt-Ingram Cancer Center, Vanderbilt University Medical Center, Nashville, TN, USA.

Background: Legumes, important components of a healthy diet, may exert their health benefits through the influence of the gut microbiome. However, this hypothesis has not been well investigated.

Objective: This study aimed to examine the associations between long-term legume consumption and the gut microbiome among elderly Chinese.

Methods: The gut microbiome was profiled by 16S ribosomal RNA sequencing in 2302 Chinese adults enrolled in 2 large cohort studies, the Shanghai Women's Health Study and Shanghai Men's Health Study. Legume consumption, including peanuts, soy foods, and other beans, was assessed by food-frequency questionnaires prior to the stool collection. The associations of legume consumption with microbiome diversity and taxa abundance were evaluated by linear or negative binomial hurdle models, adjusting for sociodemographics, lifestyle factors, and BMI. False discovery rate (FDR)-corrected P values (PFDR) < 0.1 were considered significant.

Results: Respectively, 52% and 48% of study participants were male and female. The mean age at stool collection was 68.03 y for females and 70.28 y for males. Total legume consumption was not associated with gut microbiome ɑ-diversity; however, male peanut consumers had a higher Chao1 index (β = 22.52, P = 0.01), whereas peanut consumption was associated with decreased Shannon (β = -0.03, P = 0.02) and Simpson (β = -0.002, P = 0.04) indexes among females. In female and male combined analyses, total legume consumption was associated with increased Enterobacteriales (β = 0.30, PFDR = 0.06). Within this order, an unclassified genus in the family Enterobacteriaceae was positively associated with total legume (β = 0.46, PFDR = 0.03) and peanut (β = 0.59, PFDR = 0.01) consumption. Stratified analyses showed significant associations were primarily confined to females and participants without metabolic conditions.

Conclusions: Legume consumption was associated with gut microbiome diversity and abundance of some bacteria in elderly Chinese. Associations were significant only among 1 sex group. Further research, including large-scale prospective studies and feeding trials, is needed to fully understand the role of the gut microbiome in legume-health associations.
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http://dx.doi.org/10.1093/jn/nxab139DOI Listing
June 2021

[Cognitive investigation and analysis of space loss in children].

Shanghai Kou Qiang Yi Xue 2021 Apr;30(2):177-181

Department of Stomatology, First Affiliated Hospital ,School of Medicine, Shihezi University. Shihezi 832008, Xinjiang Uygur Autonomous Region, China.

Purpose: To investigate the difference of parent's cognition of children's space loss and its influencing factors, to provide reference for children's oral health education, in order to reduce the incidence of malocclusion.

Methods: A self-designed questionnaire was used to investigate the basic information and related problems of 36 parents whose children received space loss treatment. SPSS 22.0 software package was used for statistical analysis.

Results: Parents paid more attention to the common oral problems of their children, the awareness of oral prevention and health care were weak, the attention to treatment was higher than that of prevention. The attitude of parents to the cognition and targeted treatment of malocclusion caused by space loss was low(27.78%), which was significantly different from that of caries (75.00%) and premature loss of deciduous teeth (63.89%). The total cognition of space loss was 61.11%. The cognitive degree of parents with different characteristics was different: the cognitive degree of parents over 50 years old was lower(14.29%), the cognitive degree of parents with higher education was higher(82.35%), there was no significant difference in cognitive degree among different gender, occupation and family monthly income groups. Parents paid more attention to the basic oral health of their children, most of the interval time between this visit and the last visit was 3 months(63.89%). The main purpose of the visit was caries or tooth pain caused by caries(63.89%). Most of parents did not know the harmful effect of space loss(72.22%). There were more parents who did not know the necessity of treatment to space loss(58.33%). Parents mainly learned the treatment to space loss through the doctor's education during dental visits(72.22%). The number of active visits were less when space loss occured(22.22%), and most of parents were recommended by dentist when they came to the clinics(72.22%). Most parents were able to accept the dentists' advice on the treatment of space loss(77.78%).

Conclusions: It is necessary to strengthen the propaganda, coverage and depth of oral health education care, strengthen the awareness of oral preventive health care, especially for the parents with special personality on the importance of space loss, to prevent primary teeth caries and premature loss of primary teeth, avoid the loss of dental space, make the complete primary dentition to form a normal permanent dentition.
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April 2021

H3K27ac-induced lncRNA PAXIP1-AS1 promotes cell proliferation, migration, EMT and apoptosis in ovarian cancer by targeting miR-6744-5p/PCBP2 axis.

Authors:
Yimin Ma Wei Zheng

J Ovarian Res 2021 Jun 9;14(1):76. Epub 2021 Jun 9.

Department of Gynecology, Xi'an Military Industry Hospital, Xi'an, 710065, Shaanxi, China.

We aimed to explore role of lncRNA PAX-interacting protein 1-antisense RNA1 (PAXIP1-AS1) in ovarian cancer (OC). RT-qPCR analysis identified upregulation of PAXIP1-AS1 in OC cell lines. Functionally, PAXIP1-AS1 knockdown inhibited cell proliferation, accelerated cell apoptosis, and suppressed cell migration and epithelial-mesenchymal transition (EMT) process. Upregulation of PAXIP1-AS1 was induced by CBP-mediated H3K27 acetylation (H3K27ac) via bioinformatic analysis and ChIP assay. Furthermore, PAXIP1-AS1 served as a competing endogenous RNA (ceRNA) to regulate PCBP2 expression by sponging microRNA-6744-5p (miR-6744-5p). Restoration experiments showed that overexpressed PCBP2 rescued effects of silenced PAXIP1-AS1 on cell proliferation, apoptosis, migration and EMT. Overall, lncRNA PAXIP1-AS1 activated by H3K27ac functioned as a tumor promoter in OC via mediating miR-6744-5p/PCBP2 axis, which provided promising insight into exploration on OC therapy.
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http://dx.doi.org/10.1186/s13048-021-00822-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8191132PMC
June 2021

Structural deformation and host-guest properties of doubly-reduced cycloparaphenylenes, []CPPs ( = 6, 8, 10, and 12).

Chem Sci 2020 Aug 10;11(35):9395-9401. Epub 2020 Aug 10.

Department of Chemistry, University at Albany, State University of New York Albany NY 12222 USA

Chemical reduction of several cycloparaphenylenes (CPPs) ranging in size from [8]CPP to [12]CPP has been investigated with potassium metal in THF. The X-ray diffraction characterization of the resulting doubly-reduced []CPPs provided a unique series of carbon nanohoops with increasing dimensions and core flexibility for the first comprehensive structural analysis. The consequences of electron acquisition by a []CPP core have been analyzed in comparison with the neutral parents. The addition of two electrons to the cyclic carbon framework of []CPPs leads to the characteristic elliptic core distortion and facilitates the internal encapsulation of sizable cationic guests. Molecular and solid-state structure changes, alkali metal binding and unique size-dependent host abilities of the []CPP series with = 6-12 are discussed. This in-depth analysis opens new perspectives in supramolecular chemistry of []CPPs and promotes their applications in size-selective guest encapsulation and chemical separation.
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http://dx.doi.org/10.1039/d0sc03072dDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8161678PMC
August 2020

Inversion of Winter Wheat Growth Parameters and Yield Under Different Water Treatments Based on UAV Multispectral Remote Sensing.

Front Plant Sci 2021 20;12:609876. Epub 2021 May 20.

College of Water Conservancy and Civil Engineering, China Agricultural University, Beijing, China.

In recent years, the unmanned aerial vehicle (UAV) remote sensing system has been rapidly developed and applied in accurate estimation of crop parameters and yield at farm scale. To develop the major contribution of UAV multispectral images in predicting winter wheat leaf area index (LAI), chlorophyll content (called soil and plant analyzer development [SPAD]), and yield under different water treatments (low water level, medium water level, and high water level), vegetation indices (VIs) originating from UAV multispectral images were used during key winter wheat growth stages. The estimation performances of the models (linear regression, quadratic polynomial regression, and exponential and multiple linear regression models) on the basis of VIs were compared to get the optimal prediction method of crop parameters and yield. Results showed that LAI and SPAD derived from VIs both had high correlations compared with measured data, with determination coefficients of 0.911 and 0.812 (multivariable regression [MLR] model, normalized difference VI [NDVI], soil adjusted VI [SAVI], enhanced VI [EVI], and difference VI [DVI]), 0.899 and 0.87 (quadratic polynomial regression, NDVI), and 0.749 and 0.829 (quadratic polynomial regression, NDVI) under low, medium, and high water levels, respectively. The LAI and SPAD derived from VIs had better potential in estimating winter wheat yield by using multivariable linear regressions, compared to the estimation yield based on VIs directly derived from UAV multispectral images alone by using linear regression, quadratic polynomial regression, and exponential models. When crop parameters (LAI and SPAD) in the flowering period were adopted to estimate yield by using multiple linear regressions, a high correlation of 0.807 was found, while the accuracy was over 87%. Importing LAI and SPAD obtained from UAV multispectral imagery based on VIs into the yield estimation model could significantly enhance the estimation performance. This study indicates that the multivariable linear regression could accurately estimate winter wheat LAI, SPAD, and yield under different water treatments, which has a certain reference value for the popularization and application of UAV remote sensing in precision agriculture.
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http://dx.doi.org/10.3389/fpls.2021.609876DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8173193PMC
May 2021

Generation of an induced pluripotent stem cell line (TRNDi030-A) from a patient with Farber disease carrying a homozygous p. Y36C (c. 107 A>G) mutation in ASAH1.

Stem Cell Res 2021 May 12;53:102387. Epub 2021 May 12.

National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD, USA. Electronic address:

Farber disease is an ultra-rare lysosomal storage disease. Mutations in the N-acylsphingosine amidohydrolase (ASAH1) gene, which encodes for the enzyme acid ceramidase (ACDase), cause ceramides to accumulate in the body. A human induced pluripotent stem cell (iPSC) line TRNDi030-A was generated from fibroblasts of a male patient with a homozygous p. Y36C (c.107 A>G) variant in the second exon of the ASAH1 producing the alpha subunit of ACDase. This Farber disease iPSC line is a useful resource to study disease pathophysiology and to develop therapeutics for treatment of patients with Farber disease.
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http://dx.doi.org/10.1016/j.scr.2021.102387DOI Listing
May 2021

Generation of Alagille syndrome derived induced pluripotent stem cell line carrying heterozygous mutation in the JAGGED-1 gene at splicing site (Chr20: 10,629,709C>A) before exon 11.

Stem Cell Res 2021 May 27;53:102366. Epub 2021 Apr 27.

National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD, USA. Electronic address:

Alagille syndrome (ALGS) is a multisystem autosomal dominant disorder caused by defects in the Notch signaling pathway, including the mutation in JAGGED1 (JAG1) (ALGS type 1) or NOTCH2 (ALGS type 2). An induced pluripotent stem cell (iPSC) line was generated from the dermal fibroblasts of a 3-month-old patient with heterozygous mutation at JAG1 splicing site (Chr20: 10,629,709C>A) before exon 11. This iPSC model offers a useful resource for disease modeling to study the disease pathophysiology and to develop therapeutics for treatment of ALGS.
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http://dx.doi.org/10.1016/j.scr.2021.102366DOI Listing
May 2021

Design, Synthesis, and Bioactivity Evaluation of Dual-Target Inhibitors of Tubulin and Src Kinase Guided by Crystal Structure.

J Med Chem 2021 Jun 3. Epub 2021 Jun 3.

State Key Laboratory of Biotherapy/Collaborative Innovation Center of Biotherapy and Cancer Center, West China Hospital of Sichuan University, Chengdu 610041, China.

Klisyri (KX01) is a dual tubulin/Src protein inhibitor that has shown potential therapeutic effects in several tumor models. However, a phase II clinical trial in patients with bone-metastatic castration-resistant prostate cancer was halted because of lack of efficacy. We previously reported that KX01 binds to the colchicine site of β-tubulin and its morpholine group lies close to α-tubulin's surface. Thus, we hypothesized that enhancing the interaction of KX01 with α-tubulin could increase tubulin inhibition and synthesized a series of KX01 derivatives directed by docking studies. Among these derivatives, exhibited more than 10-fold antiproliferation activity in several tumor cells than KX01 and significantly improved antitumor effects. The X-ray crystal structure suggested that both bound to the colchicine site and extended into the interior of α-tubulin to form potent interactions, presenting a novel binding mode. A potential clinical candidate for cancer therapy was identified in this study.
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http://dx.doi.org/10.1021/acs.jmedchem.0c01961DOI Listing
June 2021

Repositioning Azelnidipine as a Dual Inhibitor Targeting CD47/SIRPα and TIGIT/PVR Pathways for Cancer Immuno-Therapy.

Biomolecules 2021 May 10;11(5). Epub 2021 May 10.

Intervention and Cell Therapy Center, Peking University Shenzhen Hospital, Shenzhen Peking University-The Hong Kong University of Science and Technology Medical Center, Shenzhen 518035, China.

Strategies boosting both innate and adaptive immunity have great application prospects in cancer immunotherapy. Antibodies dual blocking the innate checkpoint CD47 and adaptive checkpoint PD-L1 or TIGIT could achieve durable anti-tumor effects. However, a small molecule dual blockade of CD47/SIRPα and TIGIT/PVR pathways has not been investigated. Here, an elevated expression of CD47 and PVR was observed in tumor tissues and cell lines analyzed with the GEO datasets and by flow cytometry, respectively. Compounds approved by the FDA were screened with the software MOE by docking to the potential binding pockets of SIRPα and PVR identified with the corresponding structural analysis. The candidate compounds were screened by blocking and MST binding assays. Azelnidipine was found to dual block CD47/SIRPα and TIGIT/PVR pathways by co-targeting SIRPα and PVR. In vitro, azelnidipine could enhance the macrophage phagocytosis when co-cultured with tumor cells. In vivo, azelnidipine alone or combined with irradiation could significantly inhibit the growth of MC38 tumors. Azelnidipine also significantly inhibits the growth of CT26 tumors, by enhancing the infiltration and function of CD8 T cell in tumor and systematic immune response in the tumor-draining lymph node and spleen in a CD8 T cell dependent manner. Our research suggests that the anti-hypertensive drug azelnidipine could be repositioned for cancer immunotherapy.
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http://dx.doi.org/10.3390/biom11050706DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8150775PMC
May 2021

Temperature-Dependent Phonon Shifts in van der Waals Crystals.

Authors:
Siqi Zhu Wei Zheng

J Phys Chem Lett 2021 Jun 1;12(22):5261-5270. Epub 2021 Jun 1.

State Key Laboratory of Optoelectronic Materials and Technologies, School of Materials, Sun Yat-sen University, Guangzhou 510275, China.

In recent years, there has been an explosive increase in the research on van der Waals (vdW) crystals because of their great potential applications in many optoelectronic devices. It is necessary to determine their temperature-dependent lattice vibration characteristics because their thermal and electrical transport are closely related to the anharmonic phonon effect, which will affect the performance of the devices. We review the temperature-dependent Raman spectroscopy of vdW crystals, systematically introduce the thermal behavior of optical phonons, and summarize their shift with temperature. Upon analyzing the theoretical models and summarizing the reported experimental data, it is found that the phonon shifts of vdW crystals have a "quasi-linear" relationship with temperature, which is widely described with first-order temperature (FOT) coefficients obtained through a linear fit. Thus, subsequently, the phonon shifts of monolayer materials, different-thickness crystals, suspended and supported samples, in-plane and out-of-plane modes in the same vdW materials, as well as heterostructures and alloys are discussed through comparative analysis of FOT coefficients.
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http://dx.doi.org/10.1021/acs.jpclett.1c00947DOI Listing
June 2021

The trans-ancestral genomic architecture of glycemic traits.

Nat Genet 2021 Jun 31;53(6):840-860. Epub 2021 May 31.

Department of Epidemiology, University of Groningen, University Medical Center Groningen, Groningen, the Netherlands.

Glycemic traits are used to diagnose and monitor type 2 diabetes and cardiometabolic health. To date, most genetic studies of glycemic traits have focused on individuals of European ancestry. Here we aggregated genome-wide association studies comprising up to 281,416 individuals without diabetes (30% non-European ancestry) for whom fasting glucose, 2-h glucose after an oral glucose challenge, glycated hemoglobin and fasting insulin data were available. Trans-ancestry and single-ancestry meta-analyses identified 242 loci (99 novel; P < 5 × 10), 80% of which had no significant evidence of between-ancestry heterogeneity. Analyses restricted to individuals of European ancestry with equivalent sample size would have led to 24 fewer new loci. Compared with single-ancestry analyses, equivalent-sized trans-ancestry fine-mapping reduced the number of estimated variants in 99% credible sets by a median of 37.5%. Genomic-feature, gene-expression and gene-set analyses revealed distinct biological signatures for each trait, highlighting different underlying biological pathways. Our results increase our understanding of diabetes pathophysiology by using trans-ancestry studies for improved power and resolution.
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http://dx.doi.org/10.1038/s41588-021-00852-9DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC7610958PMC
June 2021

Development and external validation of a breast cancer absolute risk prediction model in Chinese population.

Breast Cancer Res 2021 May 29;23(1):62. Epub 2021 May 29.

Department of Epidemiology and Biostatistics, School of Public Health, Peking University Health Science Center, 38 Xueyuan Road, Beijing, 100191, China.

Backgrounds: In contrast to developed countries, breast cancer in China is characterized by a rapidly escalating incidence rate in the past two decades, lower survival rate, and vast geographic variation. However, there is no validated risk prediction model in China to aid early detection yet.

Methods: A large nationwide prospective cohort, China Kadoorie Biobank (CKB), was used to evaluate relative and attributable risks of invasive breast cancer. A total of 300,824 women free of any prior cancer were recruited during 2004-2008 and followed up to Dec 31, 2016. Cox models were used to identify breast cancer risk factors and build a relative risk model. Absolute risks were calculated by incorporating national age- and residence-specific breast cancer incidence and non-breast cancer mortality rates. We used an independent large prospective cohort, Shanghai Women's Health Study (SWHS), with 73,203 women to externally validate the calibration and discriminating accuracy.

Results: During a median of 10.2 years of follow-up in the CKB, 2287 cases were observed. The final model included age, residence area, education, BMI, height, family history of overall cancer, parity, and age at menarche. The model was well-calibrated in both the CKB and the SWHS, yielding expected/observed (E/O) ratios of 1.01 (95% confidence interval (CI), 0.94-1.09) and 0.94 (95% CI, 0.89-0.99), respectively. After eliminating the effect of age and residence, the model maintained moderate but comparable discriminating accuracy compared with those of some previous externally validated models. The adjusted areas under the receiver operating curve (AUC) were 0.634 (95% CI, 0.608-0.661) and 0.585 (95% CI, 0.564-0.605) in the CKB and the SWHS, respectively.

Conclusions: Based only on non-laboratory predictors, our model has a good calibration and moderate discriminating capacity. The model may serve as a useful tool to raise individuals' awareness and aid risk-stratified screening and prevention strategies.
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http://dx.doi.org/10.1186/s13058-021-01439-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8164768PMC
May 2021

An induced pluripotent stem cell line (NCATS-CL9075) from a patient carrying compound heterozygote mutations, p.R390P and p.L318P, in the NGLY1 gene.

Stem Cell Res 2021 May 20;54:102400. Epub 2021 May 20.

National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD, USA. Electronic address:

NGLY1 deficiency is a rare disorder caused by mutations in the NGLY1 gene which codes for the highly conserved N-glycanase1 (NGLY1). This enzyme functions in cytosolic deglycosylation of N- linked glycoproteins. An induced pluripotent stem cell (iPSC) line was generated from the dermal fibroblasts of a 2-year-old patient carrying compound heterozygous mutations, p.R390P and p.L318P in the NGLY1 gene. This cell-based iPSC disease model provides a resource to study disease pathophysiology and to develop a cell-based disease model for drug development for NGLY1 patients.
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http://dx.doi.org/10.1016/j.scr.2021.102400DOI Listing
May 2021

High-throughput screening assays for SARS-CoV-2 drug development: Current status and future directions.

Drug Discov Today 2021 May 25. Epub 2021 May 25.

Division of Pre-clinical Innovation, National Center for Advancing Translational Sciences (NCATS), National Institutes of Health (NIH), Rockville, MD 20850, USA. Electronic address:

In response to the ongoing coronavirus disease 2019 (COVID-19) pandemic, a panel of assays has been developed and applied to screen collections of approved and investigational drugs for anti-severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) activity in a quantitative high-throughput screening (qHTS) format. In this review, we applied data-driven approaches to evaluate the ability of each assay to identify potential anti-SARS-CoV-2 leads. Multitarget assays were found to show advantages in terms of accuracy and efficiency over single-target assays, whereas target-specific assays were more suitable for investigating compound mechanisms of action. Moreover, strict filtering with counter screens might be more detrimental than beneficial in identifying true positives. Thus, developing novel HTS assays acting simultaneously against multiple targets in the SARS-CoV-2 life cycle will benefit anti-COVID-19 drug discovery.
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http://dx.doi.org/10.1016/j.drudis.2021.05.012DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8146264PMC
May 2021

Fatty acid β-oxidation promotes breast cancer stemness and metastasis via the miRNA-328-3p-CPT1A pathway.

Cancer Gene Ther 2021 May 27. Epub 2021 May 27.

Thyroid and Breast Surgery, Affiliated Hospital of Zunyi Medical University, Zunyi, Guizhou, China.

MicroRNAs (miRNA) have been shown to be associated with tumor diagnosis, prognosis, and therapeutic response. MiR-328-3p plays a significant role in breast cancer growth; however, its actual function and how it modulates specific biological functions is poorly understood. Here, miR-328-3p was significantly downregulated in breast cancer, especially in patients with metastasis. Mitochondrial carnitine palmitoyl transferase 1a (CPT1A) is a downstream target gene in the miR-328-3p-regulated pathway. Furthermore, the miR-328-3p/CPT1A/fatty acid β-oxidation/stemness axis was shown responsible for breast cancer metastasis. Collectively, this study revealed that miR-328-3p is a potential therapeutic target for the treatment of breast cancer patients with metastasis, and also a model for the miRNA-fatty acid β-oxidation-stemness axis, which may assist inunderstanding the cancer stem cell signaling functions of miRNA.
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http://dx.doi.org/10.1038/s41417-021-00348-yDOI Listing
May 2021

Stretching [8]cycloparaphenylene with encapsulated potassium cations: structural and theoretical insights into core perturbation upon four-fold reduction and complexation.

Chem Sci 2021 Apr 12;12(19):6526-6535. Epub 2021 Apr 12.

Department of Chemistry, University at Albany, State University of New York Albany NY 12222 USA

The consequences of four-electron addition to [8]cycloparaphenylene ([8]CPP, ) have been evaluated crystallographically, revealing a significant core deformation. The structural analysis exposes an elliptical distortion observed upon electron transfer, with the deformation parameter (D.P.) increased by 28% in comparison with neutral [8]CPP. The C-C bond length alteration pattern also indicates a quinoidal structural rearrangement upon four-fold reduction. The large internal cavity of [8]CPP allows the encapsulation of two {K(THF)} cationic moieties with two additional cations bound externally in the solid-state structure of [{K(THF)}([8]CPP)]. The experimental structural data have been used as a benchmark for the comprehensive theoretical description of the geometric changes and electronic properties of the highly-charged [8]CPP nanohoop in comparison with its neutral parent. While neutral [8]CPP and the [8]CPP anion clearly show aromatic behavior of all six-membered rings, subsequent addition of two more electrons completely reverses their aromatic character to afford the highly-antiaromatic [8]CPP anion, as evidenced by structural, topological, and magnetic descriptors. The disentanglement of electron transfer from metal binding effects allowed their contributions to the overall core perturbation of the negatively-charged [8]CPP to be revealed. Consequently, the internal coordination of potassium cations is identified as the main driving force for drastic elliptic distortion of the macrocyclic framework upon reduction.
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http://dx.doi.org/10.1039/d1sc00713kDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8132928PMC
April 2021

Comparative Efficacy of Oral Chinese Patent Medicine for Chronic Prostatitis/Chronic Pelvic Pain Syndrome With Sexual Dysfunction: A Bayesian Network Meta-Analysis of Randomized Controlled Trials.

Front Pharmacol 2021 10;12:649470. Epub 2021 May 10.

The Second Affiliated Hospital of Shaanxi University of Chinese Medicine, Xianyang, China.

Oral Chinese patent medicine (OCPM) combined with western medicine (WM) are believed to be effective for the therapy of chronic prostatitis/chronic pelvic pain syndrome (CP/CPPS) with sexual dysfunction (SD). These western medicines mainly involve antibiotics, phosphodiesterase type-5 inhibitor (PDE-5i), α-blockers. But there is no randomized controlled trial (RCT) that directly compares the efficacy of different OCPM. Hence, we operated a network meta-analysis (NMA) to contrast the efficacy of different OCPM for CP/CPPS with SD. Relevant studies were searched in PubMed, Cochrane Library, Web of Science, Embase, China National Knowledge Infrastructure (CNKI), Chinese Scientific Journal Database (VIP), and Wanfang database. All of the RCTs concentrated on the use of OCPM to cure CP/CPPS with SD from the inception of the databases to November 2020. We appraised the risk of bias under the Cochrane Handbook and CONSORT statement. The data were statistically analyzed STATA 13.0 and WinBUGS 1.4.3 instrument. Altogether, 30 pieces of literature with 2,996 participants containing 11 oral Chinese patent medicine and 11 interventions were included in the NMA. In terms of The National Institutes of Health chronic prostatitis symptom index (NIH-CPSI), Qianlie Shutong Capsules (QLSTC) + WM had the most possible of being the optimal treatment. In the light of the International Index of Erectile Function (IIEF-5), Congrong Yishen Granules (CRYSG) + WM had the most possible of being the optimal treatment. Shugan Yiyang Capsules (SGYYC) + WM performed the highest likelihood efficacy under cluster rank graph combined NIH-CPSI and IIEF-5. Liuwei Dihuang Pills/Yougui capsules (LWDHP/YGC) + WM had highly possible to be the optimal treatment not only for the clinical effective rate of CP/CPPS but also for the clinical effective rate of SD. Considering four outcomes, QLSTC, CRYSG, SGYYC, LWDHP/YGC, Qianlie Beixi Capsules (QLBXC) plus WM were the best therapy approach for CP/CPPS with SD, especially LWDHP/YGC + WM and QLBXC + WM. Based on the NMA, QLSTC, CRYSG, SGYYC, LWDHP/YGC, QLBXC plus WM demonstrated the maximum probability of being the optimal therapies. Owing to the limitations of this research, these results should be confirmed by elaborate RCTs. [https://www.crd.york.ac.uk/prospero/], identifier [CRD42021224060].
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http://dx.doi.org/10.3389/fphar.2021.649470DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8143435PMC
May 2021

Association of plasma VEGF levels and the antidepressant effects of ketamine in patients with depression.

Ther Adv Psychopharmacol 2021 17;11:20451253211014320. Epub 2021 May 17.

The Affiliated Brain Hospital of Guangzhou Medical University (Guangzhou Huiai Hospital), Guangzhou, China.

Aims: Growing evidence suggests that vascular endothelial growth factor (VEGF) may be involved in the neuronal mechanisms underlying both depression aetiology and the response to ketamine treatments. The aim of this study was to examine whether changes in plasma VEGF levels are associated with the antidepressant effects of repeated ketamine infusions in patients with depression.

Methods: Ninety-six patients with depression were enrolled and received six ketamine infusions during a 12-day period. Depressive symptom severity and plasma VEGF levels were measured by the Montgomery-Åsberg Depression Rating Scale (MADRS) and an enzyme-linked immunosorbent assay (ELISA) respectively, at baseline, 13 days and 26 days.

Results: Despite a significant improvement in MADRS scores after patients received six ketamine infusions ( < 0.001), no changes in plasma VEGF levels were observed at 13 days when compared with baseline. Moreover, no significant difference in plasma VEGF levels at baseline and 13 days was found between ketamine responders and nonresponders. No association was found between the antidepressant effects of repeated ketamine treatments and plasma VEGF levels.

Conclusion: This study indicated that VEGF may not be a potential predictor of antidepressant response to repeated intravenous administration of ketamine in patients with depression.
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http://dx.doi.org/10.1177/20451253211014320DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8132091PMC
May 2021

mRNA therapy restores euglycemia and prevents liver tumors in murine model of glycogen storage disease.

Nat Commun 2021 05 25;12(1):3090. Epub 2021 May 25.

Platform, Moderna, Inc, Cambridge, MA, USA.

Glycogen Storage Disease 1a (GSD1a) is a rare, inherited metabolic disorder caused by deficiency of glucose 6-phosphatase (G6Pase-α). G6Pase-α is critical for maintaining interprandial euglycemia. GSD1a patients exhibit life-threatening hypoglycemia and long-term liver complications including hepatocellular adenomas (HCAs) and carcinomas (HCCs). There is no treatment for GSD1a and the current standard-of-care for managing hypoglycemia (Glycosade/modified cornstarch) fails to prevent HCA/HCC risk. Therapeutic modalities such as enzyme replacement therapy and gene therapy are not ideal options for patients due to challenges in drug-delivery, efficacy, and safety. To develop a new treatment for GSD1a capable of addressing both the life-threatening hypoglycemia and HCA/HCC risk, we encapsulated engineered mRNAs encoding human G6Pase-α in lipid nanoparticles. We demonstrate the efficacy and safety of our approach in a preclinical murine model that phenotypically resembles the human condition, thus presenting a potential therapy that could have a significant therapeutic impact on the treatment of GSD1a.
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http://dx.doi.org/10.1038/s41467-021-23318-2DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8149455PMC
May 2021

Theoretical model and experimental study on environmental dissipation mechanism of tapping mode atomic force microscope.

J Microsc 2021 May 24. Epub 2021 May 24.

College of Mechanical and Electrical Engineering, Beijing University of Chemical Technology, Beijing, China.

The phase information reflects the energy dissipation of the probe and sample interactions in tapping mode atomic force microscopes (TM AFMs). In this paper, we use the method of tune test in TM AFM to study the contribution of external environment to energy dissipation by changing the probe position and ambient humidity. Finally, the theoretical and experimental quality factors of air viscous damping, squeeze film damping and liquid bridge force are obtained to characterise energy dissipation. The analytically predicted values of the model established on squeeze film damping, viscous damping and liquid bridge force comparing to the experimental results in this paper is rational. And the comparative analysis results show that the main mechanism of energy dissipation is different at different probe positions and different relative humidness. This result is of great significance for understanding the mechanism of phase imaging experimentally and theoretically.
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http://dx.doi.org/10.1111/jmi.13035DOI Listing
May 2021

Coexistence of two bla genes in a bla-carrying multidrug-resistant Escherichia coli strain recovered from a bloodstream infection in China.

J Glob Antimicrob Resist 2021 May 21;26:11-14. Epub 2021 May 21.

Department of Clinical Laboratory, Sir Run Run Shaw Hospital, Zhejiang University School of Medicine, Hangzhou 310016, China. Electronic address:

Objectives: The emergence of carbapenem-resistant Enterobacteriaceae has become a serious public-health threat. Here we report the complete genome sequence of a multidrug-resistant (MDR) Escherichia coli carrying bla and two copies of bla recovered from a bloodstream infection in China.

Methods: Whole-genome sequencing of E. coli strain 2D was performed both using Oxford Nanopore MinION and Illumina NovaSeq 6000 platforms. De novo hybrid assembly of short Illumina reads and long MinION reads was performed using Unicycler. In silico multilocus sequence typing (MLST), antimicrobial resistance genes and plasmid replicons were identified from the genome sequence. Core genome MLST (cgMLST) analysis between E. coli 2D and all ST354 E. coli strains retrieved from the NCBI GenBank database was performed using BacWGSTdb 2.0 server.

Results: The complete genome sequence of E. coli 2D consists of six contigs comprising 5 363 300 bp, including one chromosome and five plasmids, and was assigned to ST354. Six antimicrobial resistance genes were identified, including bla located in a 46 161-bp IncX3 plasmid and two copies of the bla gene located both in the chromosome and in a 96 499-bp IncB plasmid. The closest relative of E. coli 2D was another isolate recovered from Lebanon, which differed by 162 cgMLST loci.

Conclusion: This study reports the first genome sequence of a MDR E. coli carrying bla and two copies of bla in China. These data may help to understand the antimicrobial resistance mechanisms and transmission dynamics of carbapenem-resistant Enterobacteriaceae in clinical settings.
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http://dx.doi.org/10.1016/j.jgar.2021.05.002DOI Listing
May 2021

Drug combination therapy for emerging viral diseases.

Drug Discov Today 2021 May 21. Epub 2021 May 21.

National Center for Advancing Translational Sciences, National Institutes of Health, Bethesda, MD, USA. Electronic address:

Effective therapeutics to combat emerging viral infections are an unmet need. Historically, treatments for chronic viral infections with single drugs have not been successful, as exemplified by HIV and hepatitis C virus (HCV) infections. Combination therapy for these diseases has led to improved clinical outcomes with dramatic reductions in viral load, morbidity, and mortality. Drug combinations can enhance therapeutic efficacy through additive, and ideally synergistic, effects for emerging and re-emerging viruses, such as influenza, severe acute respiratory syndrome-coronavirus (SARS-CoV), Middle East respiratory syndrome (MERS)-CoV, Ebola, Zika, and SARS-coronavirus 2 (CoV-2). Although novel drug development through traditional pipelines remains a priority, in the interim, effective synergistic drug candidates could be rapidly identified by drug-repurposing screens, facilitating accelerated paths to clinical testing and potential emergency use authorizations.
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http://dx.doi.org/10.1016/j.drudis.2021.05.008DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8139175PMC
May 2021

Enrichment of NPC1-deficient cells with the lipid LBPA stimulates autophagy, improves lysosomal function, and reduces cholesterol storage.

J Biol Chem 2021 May 20:100813. Epub 2021 May 20.

Department of Nutritional Sciences, Rutgers University, New Brunswick, NJ 08901, USA; Rutgers Center for Lipid Research, Rutgers University, New Brunswick, NJ 08901 USA. Electronic address:

Niemann-Pick C (NPC) is an autosomal recessive disorder characterized by mutations in the NPC1 or NPC2 genes encoding endo-lysosomal lipid transport proteins, leading to cholesterol accumulation and autophagy dysfunction. We have previously shown that enrichment of NPC1-deficient cells with the anionic lipid lysobisphosphatidic acid (LBPA; also called bis(monoacylglycerol)phosphate, BMP) via treatment with its precursor phosphatidylglycerol (PG) results in a dramatic decrease in cholesterol storage. However, the mechanisms underlying this reduction are unknown. In the present study, we showed using biochemical and imaging approaches in both NPC1-deficient cellular models and an NPC1 mouse model that PG incubation/LBPA enrichment significantly improved the compromised autophagic flux associated with NPC1 disease, providing a route for NPC1-independent endo-lysosomal cholesterol mobilization. PG/LBPA enrichment specifically enhanced the late stages of autophagy, and effects were mediated by activation of the lysosomal enzyme acid sphingomyelinase (ASM). PG incubation also led to robust and specific increases in LBPA species with polyunsaturated acyl chains, potentially increasing the propensity for membrane fusion events, which are critical for late-stage autophagy progression. Finally, we demonstrated that PG/LBPA treatment efficiently cleared cholesterol and toxic protein aggregates in Purkinje neurons of the NPC1 mouse model. Collectively, these findings provide a mechanistic basis supporting cellular LBPA as a potential new target for therapeutic intervention in NPC disease.
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http://dx.doi.org/10.1016/j.jbc.2021.100813DOI Listing
May 2021

ABO genotypes and the risk of esophageal and gastric cancers.

BMC Cancer 2021 May 22;21(1):589. Epub 2021 May 22.

Division of Cancer Epidemiology and Genetics, National Cancer Institute, National Institutes of Health, 9609 Medical Center Dr. 6E3280, Rockville, MD, 20850, USA.

Background: Blood type has been associated with the risk of gastric cancer, but few studies have examined the association with esophageal squamous cell carcinoma (ESCC).

Methods: We conducted a case-control study using genotyping data of Chinese individuals, including cases of 2022 ESCC, 1189 gastric cardia adenocarcinoma, 1161 gastric noncardia adenocarcinoma, and 2696 controls. Genetic blood type was imputed using three single nucleotide polymorphisms. We used logistic regression to examine the association between blood type and the risk of each cancer.

Results: Compared to blood type O, the risk of ESCC was significantly elevated for blood type B and AB, with the highest risk for type AB (OR, 95%CI: 1.34, 1.07-1.67). Analysis of genotype suggested that the association of ESCC was from carrying the B allele. Similarly, blood type was significantly associated with gastric noncardia adenocarcinoma (P < 0.001) with risk significantly elevated in type A (1.37, 1.14-1.65) and AB (1.44, 1.10-1.89) compared to type O. Blood type was not associated with gastric cardia adenocarcinoma (P = 0.13).

Conclusions: This study provides novel insights into the association between blood type and the risk of ESCC and restricted previously observed association to only gastric noncardia cancer, providing important evidence to clarify the pattern of association and suggesting mechanisms of action.
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http://dx.doi.org/10.1186/s12885-021-08334-1DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8141232PMC
May 2021

Associations of circulating choline and its related metabolites with cardiometabolic biomarkers: an international pooled analysis.

Am J Clin Nutr 2021 May 21. Epub 2021 May 21.

Division of Epidemiology, Department of Medicine, Vanderbilt Epidemiology Center, Vanderbilt University Medical Center, Nashville, TN, USA.

Background: Choline is an essential nutrient; however, the associations of choline and its related metabolites with cardiometabolic risk remain unclear.

Objective: We examined the associations of circulating choline, betaine, carnitine, and dimethylglycine (DMG) with cardiometabolic biomarkers and their potential dietary and nondietary determinants.

Methods: The cross-sectional analyses included 32,853 participants from 17 studies, who were free of cancer, cardiovascular diseases, chronic kidney diseases, and inflammatory bowel disease. In each study, metabolites and biomarkers were log-transformed and standardized by means and SDs, and linear regression coefficients (β) and 95% CIs were estimated with adjustments for potential confounders. Study-specific results were combined by random-effects meta-analyses. A false discovery rate <0.05 was considered significant.

Results: We observed moderate positive associations of circulating choline, carnitine, and DMG with creatinine [β (95% CI): 0.136 (0.084, 0.188), 0.106 (0.045, 0.168), and 0.128 (0.087, 0.169), respectively, for each SD increase in biomarkers on the log scale], carnitine with triglycerides (β = 0.076; 95% CI: 0.042, 0.109), homocysteine (β = 0.064; 95% CI: 0.033, 0.095), and LDL cholesterol (β = 0.055; 95% CI: 0.013, 0.096), DMG with homocysteine (β = 0.068; 95% CI: 0.023, 0.114), insulin (β = 0.068; 95% CI: 0.043, 0.093), and IL-6 (β = 0.060; 95% CI: 0.027, 0.094), but moderate inverse associations of betaine with triglycerides (β = -0.146; 95% CI: -0.188, -0.104), insulin (β = -0.106; 95% CI: -0.130, -0.082), homocysteine (β = -0.097; 95% CI: -0.149, -0.045), and total cholesterol (β = -0.074; 95% CI: -0.102, -0.047). In the whole pooled population, no dietary factor was associated with circulating choline; red meat intake was associated with circulating carnitine [β = 0.092 (0.042, 0.142) for a 1 serving/d increase], whereas plant protein was associated with circulating betaine [β = 0.249 (0.110, 0.388) for a 5% energy increase]. Demographics, lifestyle, and metabolic disease history showed differential associations with these metabolites.

Conclusions: Circulating choline, carnitine, and DMG were associated with unfavorable cardiometabolic risk profiles, whereas circulating betaine was associated with a favorable cardiometabolic risk profile. Future prospective studies are needed to examine the associations of these metabolites with incident cardiovascular events.
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http://dx.doi.org/10.1093/ajcn/nqab152DOI Listing
May 2021

When polymerization meets coordination-driven self-assembly: metallo-supramolecular polymers based on supramolecular coordination complexes.

Chem Soc Rev 2021 May 21. Epub 2021 May 21.

Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, 3663 N. Zhongshan Road, Shanghai 200262, China.

Polymers have greatly changed and are still changing the way we live ever since, and the construction of novel polymers as functional materials remains an attractive topic in polymer science and related areas. During the past few years, the marriage of discrete supramolecular coordination complexes (SCCs), including two-dimensional (2D) metallacycles and three-dimensional (3D) metallacages, and polymers gave rise to two novel types of metallo-supramolecular polymers, i.e., metallacycle/metallacage-cored star polymers (MSPs) and metallacycle/metallacage-crosslinked polymer networks (MPNs), which has attracted increasing attention and emerged as an exciting new research direction in polymer chemistry. Attributed to their well-defined and diverse topological architectures as well as the unique dynamic features of metallacycles/metallacages as cores or crosslinks, these novel polymers have shown extensive applications. In this review, aiming at providing a practical guide to this emerging area, the introduction of synthetic strategies towards MSPs and MPNs will be presented. In addition, their wide applications in areas such as functional materials, molecular sieving, drug delivery, bacterial killing and bioimaging are also discussed.
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http://dx.doi.org/10.1039/d0cs00654hDOI Listing
May 2021