Publications by authors named "Rong Chen"

1,523 Publications

  • Page 1 of 1

Pharmacokinetic parameter driven outcomes model predicts a reduction in bleeding events associated with BAY 81-8973 versus antihemophilic factor (recombinant) plasma/albumin-free method in a Chinese healthcare setting.

BMC Med Res Methodol 2022 08 5;22(1):215. Epub 2022 Aug 5.

School of Public Health, Fudan University, Shanghai, China.

Background: Long-term prophylactic therapy is considered the standard of care for hemophilia A patients. This study models the long-term clinical and cost outcomes of two factor VIII (FVIII) products using a pharmacokinetic (PK) simulation model in a Chinese population.

Methods: Head-to-head PK profile data of BAY 81-8973 (KOVALTRY®) and antihemophilic factor (recombinant) plasma/albumin-free method (rAHF-PFM, ADVATE®) were applied to a two-state (alive and dead) Markov model to simulate blood FVIII concentrations at a steady state in prophylactically-treated patients with hemophilia A. Worsening of the Pettersson score was simulated and decline was associated with the probability of having orthopaedic surgery. The only difference between the compounds was FVIII concentration at a given time; each subject was treated with 25 IU/kg every 3 days. The model used a lifetime horizon, with cycle lengths of 1 year.

Results: Cumulative bleeding events, joint bleeding events, and major bleeding events were reduced by 19.3% for BAY 81-8973 compared to rAHF-PFM. Hospitalizations and hospitalization days were also reduced by 19.3% for BAY 81-8973 compared to rAHF-PFM. BAY 81-8973 resulted in both cost savings and a gain in quality adjusted life years (QALYs) compared to rAHF-PFM.

Conclusion: Based on modeled head-to-head comparisons, differences in PK-properties between BAY 81-8973 and rAHF-PFM result in a reduced number of bleeding events, leading to reduced costs and increased quality of life for BAY 81-8973. These results should be used to inform clinical practice in China when caring for patients with severe hemophilia A.
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http://dx.doi.org/10.1186/s12874-022-01659-wDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9356410PMC
August 2022

Percutaneous endoscopic discectomy via a transforaminal approach for L5/S1 far-lateral disc herniation assisted by intraoperative computed tomography.

World Neurosurg 2022 Aug 1. Epub 2022 Aug 1.

Suzhou Medical College of Soochow University; GanNan Medical University. Electronic address:

Purpose: To examine the clinical outcomes of a percutaneous lumbar transforaminal endoscopic discectomy (PTED) with intraoperative computed tomography (iCT) navigation for the treatment of L5-S1 far-lateral lumbar disc herniation (LDH).

Methods: A total of 30 patients with L5-S1 far-lateral LDH who underwent PTED with iCT navigation from September 2016 to October 2020 were enrolled in this study. Outcomes were assessed using the visual analog scale (VAS) pain score, the Oswestry Disability Index (ODI), the Japanese Orthopedic Association (JOA) score, the EQ-5D-5L and the modified Macnab criteria. Pre- and postoperative complications were recorded.

Results: The mean VAS score for leg pain improved from 8.1 at baseline to 2.3, 0.9, 0.7 and 0.9 at 1 day, 1 week, 6 months, and 12 months postoperatively, respectively (P<0.01). The mean ODI improved from 78.1% at baseline to 45.5%, 21.9%, 12.6%, and 11.7% at 1 week, 1 month, 6 months, and 12 months postoperatively, respectively (P<0.01), and the mean JOA score improved from 8.6 at baseline to 14.2, 20.2, 24.4, and 25.6 at 1 day, 1 week, 6 months, and 12 months postoperatively, respectively (P<0.01). At 12 months postoperatively, the EQ-5D-5L value significantly increased, from -0.061±0.138 to 0.903 ± 0.064. The rate of a good or excellent modified Macnab result was 93% (26/28) at 12 months postoperatively. In the present study, combined L5-S1 foraminal stenosis tended to lead to poor outcomes, which required more postsurgical treatment.

Conclusion: With iCT navigation, PTED is a feasible and effective minimally invasive surgery for L5-S1 far-lateral LDH.
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http://dx.doi.org/10.1016/j.wneu.2022.07.103DOI Listing
August 2022

The impact of diabetes on postoperative outcomes following spine surgery: A meta-analysis of 40 cohort studies with 2.9 million participants.

Int J Surg 2022 Jul 31;104:106789. Epub 2022 Jul 31.

The Second Affiliated Hospital, Hengyang Medical School, University of South China, Hengyang City, Hunan Province, China. Electronic address:

Objective: Although diabetes mellitus (DM) is considered to be an important prognostic factor in spinal surgery, the relationship between these two factors remains unclear. The purpose of this study was to investigate whether diabetes is associated with an increased risk of postoperative complications in patients undergoing spinal surgery.

Methods: We systematically searched the PubMed, Embase, and Cochrane Library for relevant articles published on or before December 25, 2021. Pooled odds ratios (ORs) with 95% confidence intervals (CIs) were calculated using random effects meta-analysis. The primary outcome was the risk of postoperative complications following spinal surgery, including postoperative infection and reoperation. Furthermore, we conducted subgroup analyses and leave-one-out sensitivity analyses to explore the main sources of heterogeneity and the stability of the results.

Results: A total of 40 cohort studies including 2,998,891 participants met the inclusion criteria. Meta-analysis showed that diabetes was significantly associated with postoperative infection (OR 2.21, 95% CI 1.70-2.88, p < 0.001) and reoperation (OR 1.35, 95% CI 1.12-1.64, p = 0.002). Furthermore, the results also found that diabetes was significantly associated with surgery-related death (OR 1.61, 95% CI 1.13-2.30, p = 0.008) and transfusions (OR 1.39, 95% CI 1.11-1.75, p = 0.005), whereas diabetes failed to account for nervous system complications (OR 1.12, 95% CI 0.82-1.52, p = 0.470) and embolism (OR 1.15, 95% CI 0.83-1.60, p = 0.386) for patients following spine surgery. These results were further confirmed by the trim-and-fill procedure and leave-one-out sensitivity analyses.

Conclusions: Diabetes appears to be a risk factor for postoperative infection and reoperation for patients following spinal surgery. Special attention should be devoted to reducing the occurrence of postoperative complications in diabetic patients undergoing spinal surgery.
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http://dx.doi.org/10.1016/j.ijsu.2022.106789DOI Listing
July 2022

Characterization of Tremulane Sesquiterpene Synthase from the Basidiomycete .

Org Lett 2022 Aug 29;24(31):5669-5673. Epub 2022 Jul 29.

Department of Urology, Zhongnan Hospital of Wuhan University, School of Pharmaceutical Sciences, Wuhan University, Wuhan, 430071, P. R. China.

Tremulane sesquiterpenoids are key secondary metabolites of the basidiomycete , which displays structural diversity and various bioactivities. However, tremulane sesquiterpene synthases have not been reported to date. The tremulane sesquiterpene synthase of was characterized by genome mining, heterologous expression, an assay, and substrate feeding. Moreover, the structures of the corresponding products were elucidated by NMR spectroscopy and X-ray diffraction analysis.
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http://dx.doi.org/10.1021/acs.orglett.2c01975DOI Listing
August 2022

A chromosome-level reference genome of a Convolvulaceae species Ipomoea cairica.

G3 (Bethesda) 2022 Jul 27. Epub 2022 Jul 27.

Shenzhen Branch, Guangdong Laboratory for Lingnan Modern Agriculture; Genome Analysis Laboratory of the Ministry of Agriculture and Rural Affairs; Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences, Shenzhen, Guangdong, 518120, China.

Ipomoea cairica is a perennial creeper that has been widely introduced as a garden ornamental across tropical, subtropical and temperate regions. Because it grows extremely fast and spreads easily, it has been listed as an invasive species in many countries. Here, we constructed the chromosome-level reference genome of Ipomoea cairica by PacBio HiFi and Hi-C sequencing, with assembly size of 733.0 Mb, contig N50 of 43.8 Mb and scaffold N50 of 45.7 Mb, and BUSCO complete rate of 98.0%. Hi-C scaffolding assigned 97.9% of the contigs to 15 pseudo-chromosomes. Telomeric repeat analysis reveals that 7 of the 15 pseudo-chromosomes are gapless and telomere-to-telomere. The transposable element content of I. cairica is 73.4%, obviously higher than that of other Ipomoea species. A total of 38,115 protein-coding genes were predicted, with the BUSCO complete rate of 98.5%, comparable to that of the genome assembly, and 92.6% of genes were functional annotated. In addition, we identified 3,039 tRNA genes and 2,403 rRNA genes in the assembled genome. Phylogenetic analysis showed that I. cairica formed a clade with I. aquatica, and they diverged from each other 8.1 million years ago. Through comparative genome analysis, we reconfirmed that a whole genome triplication event occurred specific to Convolvulaceae family and in the ancestor of the genus Ipomoea and Cuscuta. This high-quality reference genome of I. cairica will greatly facilitate the studies on the molecular mechanisms of its rapid growth and invasiveness.
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http://dx.doi.org/10.1093/g3journal/jkac187DOI Listing
July 2022

Gut microbiome changes in anti-N-methyl-D-aspartate receptor encephalitis patients.

BMC Neurol 2022 Jul 25;22(1):276. Epub 2022 Jul 25.

Department of Neurology, Xijing Hospital, Fourth Military Medical University, No. 15 Changle West Street, Xi'an, 710032, Shaanxi province, China.

Background: Anti-N-methyl-D-aspartate receptor (NMDAR) encephalitis is a type of autoimmune encephalitis. The underlying mechanism(s) remain largely unknown. Recent evidence has indicated that the gut microbiome may be involved in neurological immune diseases via the "gut-brain axis". This study aimed to explore the possible relationship between anti-NMDAR encephalitis and the gut microbiome.

Methods: Fecal specimens were collected from 10 patients with anti-NMDAR encephalitis and 10 healthy volunteers. The microbiome analysis was based on Illumina sequencing of the V3-V4 hypervariable region of the 16S rRNA gene. The alpha, beta, and taxonomic diversity analyses were mainly based on the QIIME2 pipeline.

Results: There were no statistical differences in epidemiology, medication, and clinical characteristics (except for those related to anti-NMDAR encephalitis) between the two groups. ASV analysis showed that Prevotella was significantly increased, while Bacteroides was reduced in the gut microbiota of the patients, compared with the controls. Alpha diversity results showed a decrease in diversity in the patients compared with the healthy controls, analyzed by the Shannon diversity, Simpson diversity, and Pielou_E uniformity based on the Kruskal-Wallis test (P = 0.0342, 0.0040, and 0.0002, respectively). Beta diversity analysis showed that the abundance and composition of the gut microbiota was significantly different between the two groups, analyzed by weighted and unweighted UniFrac distance (P = 0.005 and 0.001, respectively).

Conclusions: The abundance and evenness of bacterial distribution were significantly lower and jeopardized in patients with anti-NMDAR encephalitis than in healthy controls. Thus, our findings suggest that gut microbiome composition changes might be associated with the anti-NMDAR encephalitis. It could be a causal agent, or a consequence.
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http://dx.doi.org/10.1186/s12883-022-02804-0DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9310403PMC
July 2022

Dysregulation of Innate and Adaptive Immune Responses in Asymptomatic SARS-CoV-2 Infection with Delayed Viral Clearance.

Int J Biol Sci 2022 11;18(12):4648-4657. Epub 2022 Jul 11.

National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, Beijing 100101, China.

Asymptomatic infection with SARS-CoV-2 is a major concern in the control of the COVID-19 pandemic. Many questions concerning asymptomatic infection remain to be answered, for example, what are the differences in infectivity and the immune response between asymptomatic and symptomatic infections? In this study, based on a cohort established by the Wuchang District Health Bureau of Wuhan in the early stage of the COVID-19 pandemic in Wuhan in 2019, we conducted a comprehensive analysis of the clinical, virological, immunological, and epidemiological data of asymptomatic infections. The major findings of this study included: 1) the asymptomatic cohort enrolled this study exhibited low-grade but recurrent activity of viral replication; 2) despite a lack of overt clinical symptoms, asymptomatic infections exhibited ongoing innate and adaptive immune responses; 3) however, the immune response from asymptomatic infections was not activated adequately, which may lead to delayed viral clearance. Given the fragile equilibrium between viral infection and host immunity, and the delayed viral clearance in asymptomatic individuals, close viral monitoring should be scheduled, and therapeutic intervention may be needed.
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http://dx.doi.org/10.7150/ijbs.72963DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9305270PMC
July 2022

Meta-Learning for Decoding Neural Activity Data With Noisy Labels.

Front Comput Neurosci 2022 6;16:913617. Epub 2022 Jul 6.

Department of Diagnostic Radiology and Nuclear Medicine, University of Maryland School of Medicine, Baltimore, MD, United States.

In neural decoding, a behavioral variable is often generated by manual annotation and the annotated labels could contain extensive label noise, leading to poor model generalizability. Tackling the label noise problem in neural decoding can improve model generalizability and robustness. We use a deep neural network based sample reweighting method to tackle this problem. The proposed method reweights training samples by using a small and clean validation dataset to guide learning. We evaluated the sample reweighting method on simulated neural activity data and calcium imaging data of anterior lateral motor cortex. For the simulated data, the proposed method can accurately predict the behavioral variable even in the scenario that 36 percent of samples in the training dataset are mislabeled. For the anterior lateral motor cortex study, the proposed method can predict trial types with F1 score of around 0.85 even 48 percent of training samples are mislabeled.
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http://dx.doi.org/10.3389/fncom.2022.913617DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9296819PMC
July 2022

Enantioselectivity and mechanisms of chiral herbicide biodegradation in hydroponic systems.

Chemosphere 2022 Jul 13;307(Pt 1):135701. Epub 2022 Jul 13.

Key Laboratory of Northwest Water Resource, Environment and Ecology, MOE, School of Environmental and Municipal Engineering, Xi'an University of Architecture and Technology, Xi'an, 710055, PR China; Shaanxi Key Laboratory of Environmental Engineering, Xi'an University of Architecture and Technology, Xi'an, 710055, PR China. Electronic address:

This study demonstrates the enantioselective removal dynamics and mechanisms of the chiral herbicide metolachlor in a hydroponic system of Phragmites australis. It presents the first work to elucidate plant-microbial driven enantioselective degradation processes of chiral chemicals. The results showed a degradation efficiency of up to 95.07 ± 2.81% in the hydroponic system driven by a notably high degradation rate constant of 0.086 d. P. australis was demonstrated to rapidly increase the contribution of biodegradation pathways in the hydroponic system to 82.21 ± 4.81% within 4 d with an enantiomeric fraction (EF) drop to 0.26 ± 0.02 to favour the enantioselective degradation of S-Metolachlor (k = 0.568 d and k = 0.147 d). Comparatively, the biodegradation pathways in the control constituted less than 25%, with an EF value of circa 0.5. However, the enantioselective biodegradation pathways exhibited complete reversal after about 4 d to favour R-Metolachlor. Plants promoted the degradation of R-Metolachlor, evidenced by an increase in EF to 0.59 ± 0.03. Nonetheless, metolachlor showed an inhibitory effect on plants reflected by the reduction of plant growth rate, chlorophyll content, and electron transport rate to -7.85 ± 1.52%, 1.33 ± 0.43 mg g, 4.03 ± 1.33 μmol (m s), respectively. However, rhizosphere microorganisms aided plants to catalyze excessive reactive oxygen species production by the antioxidant enzymes to protect plants from oxidative damage and restore their physiological activities. High-throughput analysis of microbial communities demonstrated the enrichment of Massilia (40.63%) and Pseudomonas (8.16%) in the initial stage to promote the rapid degradation of S-Metolachlor. By contrast, the proliferation of Brevundimonas (32.29%) and Pseudarthrobacter (11.03%) in the terminal stage was closely associated with the degradation of R-Metolachlor. Moreover, as symbiotic bacteria of plants, these bacteria aided plants protection from reactive oxygen damages and promoted the recovery of plant metabolic functions and photosynthesis. Overall, these results demonstrate biodegradation mediated by plant-microbe mechanisms as the main driver for the enantioselective degradation of metolachlor in hydroponic systems.
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http://dx.doi.org/10.1016/j.chemosphere.2022.135701DOI Listing
July 2022

Micro-object manipulation by decanol liquid lenses.

Lab Chip 2022 Jul 26;22(15):2844-2852. Epub 2022 Jul 26.

Key Laboratory of Low-grade Energy Utilization Technologies and Systems (Chongqing University), Ministry of Education, Chongqing 400030, China.

The flexible and precise manipulation of droplets on an air-liquid interface with complex functions remains challenging. Herein, we propose a smart strategy for excellently manipulating target droplets by decanol liquid lenses. A moveable surface tension gradient field generated by decanol liquid lenses is responsible for realizing various functions of transportation, launching and splitting of target droplets. With such fascinating features, directional long-distance transportation and on-demand droplet coalescence are enabled. Moreover, paw-like liquid lenses are constructed, which realizes a complex process, including collection, capture, transportation and release of target droplets. Remarkably, this strategy can also be applied to manipulate particles and liquid marbles other than droplets, eliminating the limitation of object properties. This work offers a smart strategy for manipulating micro-objects, which shows great potential in applications such as lab-on-a-chip, diagnostics, analytical chemistry and bioengineering,
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http://dx.doi.org/10.1039/d2lc00386dDOI Listing
July 2022

Design and Protection Strategy of Distributed Intrusion Detection System in Big Data Environment.

Authors:
Rong Chen

Comput Intell Neurosci 2022 29;2022:4720169. Epub 2022 Jun 29.

Shanghai Customs College, Shanghai 201204, China.

One of the important research topics is protecting the host from threats by developing a reliable and accurate intrusion detection system. However, since the amount of data has grown fast due to the emergence of big data, the performance of traditional systems designed to identify breaches has suffered several flaws. One of them, for example, is known as single-point failure; low adaptability and a high false alarm rate are also typical. Hadoop is used to detect intrusions to tackle these difficulties. The Java system is used to create a framework with a significant data flow that detects intrusions when a distributed system is built. The proposed solution employs a distributed operating system for data collection, storage, and analysis. The results indicate that external distributed denial of service (DDoS) attacks are recognized quickly. The single-point failure issue is overcome, alleviating the bottleneck problem of data processing ability.
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http://dx.doi.org/10.1155/2022/4720169DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9259256PMC
July 2022

The interaction mechanism of nickel ions with L929 cells based on integrative analysis of proteomics and metabolomics data.

Regen Biomater 2022 23;9:rbac040. Epub 2022 Jun 23.

State Key Laboratory of Bioelectronics, School of Biological Science and Medical Engineering, Southeast University, 2# Si Pailou, Nanjing 210096, China.

The aim of this article was to study the toxicity mechanism of nickel ions (Ni) on L929 cells by combining proteomics and metabolomics. First, iTRAQ-based proteomics and LC/MS metabolomics analyses were used to determine the protein and metabolite expression profiles in L929 cells after treatment with 100 μM Ni for 12, 24 and 48 h. A total of 177, 2191 and 2109 proteins and 40, 60 and 74 metabolites were found to be differentially expressed. Then, the metabolic pathways in which both differentially expressed proteins and metabolites were involved were identified, and three pathways with proteins and metabolites showing upstream and downstream relationships were affected at all three time points. Furthermore, the protein-metabolite-metabolic pathway network was constructed, and two important metabolic pathways involving 4 metabolites and 17 proteins were identified. Finally, the functions of the important screened metabolic pathways, metabolites and proteins were investigated and experimentally verified. Ni mainly affected the expression of upstream proteins in the glutathione metabolic pathway and the arginine and proline metabolic pathway, which further regulated the synthesis of downstream metabolites, reduced the antioxidant capacity of cells, increased the level of superoxide anions and the ratio of GSSG to GSH, led to oxidative stress, affected energy metabolism and induced apoptosis.
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http://dx.doi.org/10.1093/rb/rbac040DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9258689PMC
June 2022

The complete chloroplast genome sequence of (D. Don) Benn. 1844 (Simaroubaceae).

Mitochondrial DNA B Resour 2022 23;7(6):1114-1116. Epub 2022 Jun 23.

Guangxi Key Laboratory of Agricultural Resources Chemistry and Biotechnology, Yulin Normal University, Yulin, PR China.

is a member of the Simaroubaceae family and is widely used as a medicinal plant. In this study, we sequenced and assembled the complete chloroplast genome of . The chloroplast genome is 160,015 bp in length, with a large single-copy region of 87,136 bp, a small single-copy region of 18,069 bp, and a pair of inverted repeat regions of 27,405 bp. It contains a total of 110 unique genes, including 77 protein-coding genes, 29 tRNA genes, and 4 rRNA genes. Phylogenetic analysis showed that clustered well with Simaroubaceae plants, , , and .
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http://dx.doi.org/10.1080/23802359.2022.2087545DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9245974PMC
June 2022

Process characteristics and energy self-sufficient operation of a low-fouling anaerobic dynamic membrane bioreactor for up-concentrated municipal wastewater treatment.

Sci Total Environ 2022 Jun 27;843:156992. Epub 2022 Jun 27.

Department of Civil and Environmental Engineering, Graduate School of Engineering, Tohoku University, 6-6-06 Aramaki Aza Aoba, Aoba-ku, Sendai, Miyagi 980-8579, Japan.

Up-concentration of municipal wastewater using physico-chemical methods can effectively enrich organic matter, facilitating subsequent anaerobic digestion of up-concentrated wastewater for enhanced methanogenesis at reduced energy consumption. An anaerobic dynamic membrane bioreactor (AnDMBR) assisted with biogas-sparging was developed to treat up-concentrated municipal wastewater, focusing on the effects of operating temperature and hydraulic retention time (HRT) as well as COD mass balance and energy balance. The COD removal stabilized at about 98 % over the experimental period, while gaseous and dissolved methane contributed 43-49 % and 2-3 % to the influent COD reducing greenhouse gas emissions. The formed dynamic membrane exists mainly as a heterogeneous cake layer with a uneven distribution feature, ensuring the stable effluent quality. Without adopting any physico-chemical cleaning, the transmembrane pressure (TMP) maintained at a low range (2.7 to 14.67 kPa) with the average TMP increasing rate of 0.089 kPa/d showing a long-term low-fouling operation. Increasing the concentration ratio, the methane production rate decreased from 0.18 to 0.15 L CH/gCOD likely due to the accumulation of particulate organics. Microbial community analysis indicated the predominant methanogenic pathway shifted from hydrogenotrophic to acetoclastic methanogenesis in response to the temperature change. Net energy balance (0.003-0.600 kWh/m) can be achieved only under room temperature (25 °C) rather than mesophilic conditions (36 °C).
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http://dx.doi.org/10.1016/j.scitotenv.2022.156992DOI Listing
June 2022

A model-based meta-analysis of immune-related adverse events during immune checkpoint inhibitors treatment for NSCLC.

CPT Pharmacometrics Syst Pharmacol 2022 Jun 28. Epub 2022 Jun 28.

Beijing Key Laboratory of Molecular Pharmaceutics and New Drug Delivery System, Department of Pharmaceutics, School of Pharmaceutical Sciences, Peking University, Beijing, China.

Immune checkpoint inhibitors (ICIs) have become a vital part of the therapeutic landscape for non-small cell lung cancer (NSCLC) in recent years benefiting from their remarkable efficacy. However, ICIs are associated with potentially life-threatening immune-related adverse events (irAEs). This study aims to quantify dose dependence and additional influencing factors of both any grade and grade greater than or equal to 3 irAEs in patients with NSCLC treated by ICIs. The trial-level irAE data was collected and pooled from 129 cohorts in 81 clinical studies. A logit-transformed meta-regression model was applied to derive the quantitative relationship of irAE rate and ICI exposure. Programmed cell death-1 (PD-1) or programmed cell death ligand-1 (PD-L1) inhibitors showed no dose dependence in patients with NSCLC, whereas cytotoxic T lymphocyte-associated antigen 4 (CTLA-4) inhibitors exhibited a statistically significant dose dependence when used alone or combined with PD-1 or PD-L1 inhibitors. Besides, therapy line and combination of ICIs with chemotherapy or target therapy were significant covariates. Hopefully, the results of this study can improve clinicians' awareness of irAEs and be helpful for clinical decisions during ICI treatment for NSCLC.
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http://dx.doi.org/10.1002/psp4.12834DOI Listing
June 2022

Transcriptome analysis reveals regulation mechanism of methyl jasmonate-induced terpenes biosynthesis in Curcuma wenyujin.

PLoS One 2022 23;17(6):e0270309. Epub 2022 Jun 23.

School of Pharmacy, Hangzhou Normal University, Hangzhou, Zhejiang, China.

Curcuma wenyujin is the source plant of three traditional Chinese medicines, which have been widely used in clinical treatment over 1000 years. The content of terpenes, the major medicinal active ingredients, is relatively low in this plant. Studies have shown that MeJA can promote terpenes biosynthesis in plants. However, the mechanism underlying the effect of MeJA in C. wenyujin remains unclear. In this work, the transcriptome of C. wenyujin leaves with MeJA treatment was analyzed to elucidate the regulation mechanism of MeJA-mediated terpene biosynthesis. Based on the RNA-seq data, 7,246 unigenes were differentially expressed with MeJA treatment. Expression pattern clustering of DEGs revealed that unigenes, related to JA biosynthesis and signal transduction, responded to exogenous MeJA stimulation on the early stage and maintained throughout the process. Subsequently, unigenes related to terpene biosynthesis pathway showed a significant up-regulation with 6 h treatment. The analysis results suggested that MeJA induced the expression of JA biosynthesis genes (such as LOXs, AOSs, AOCs, OPRs, and MFPs) and JA signal transduction core genes (JAZs and MYCs) to activate JA signaling pathway. Meanwhile, downstream JA-responsive genes presented up-regulated expression levels such as AACT, HMGSs, HMGRs, DXSs, DXRs, MCTs, HDSs, and HDRs, thus promoting terpenes biosynthesis. The transcriptional expressions of these genes were validated by qRT-PCR. In addition, six CwTPS genes in response to MeJA were identified. With MeJA treatment, the expression levels of CwTPSs were increased as well as those of the transcription factors MYB, NAC, bZIP, WRKY, AP2/ERF, and HLH. These TFs might potentially regulate terpenes biosynthesis. These results provide insights for regulation mechanism of terpenes biosynthesis.
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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0270309PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9223393PMC
June 2022

Light Controlled 3D Crystal Morphology for Droplet Evaporative Crystallization on Photosensitive Hydrophobic Substrate.

J Phys Chem Lett 2022 Jun 22;13(25):5910-5917. Epub 2022 Jun 22.

Key Laboratory of Low-grade Energy Utilization Technologies and Systems (Chongqing University), Ministry of Education, Chongqing 400030, China.

Controlling crystal morphology is crucial in analytical chemistry and smart materials synthesis, etc. However, flexible manipulation of 3D crystal morphology still remains challenging. Herein, we present a novel and facile light strategy for droplet evaporative crystallization to manipulate macroscopic crystal morphology on photosensitive hydrophobic substrate possessing photothermal conversion property. We demonstrate that the spherical coronal shell and alms bowl-like crystal skeletons can be achieved on smooth photosensitive hydrophobic substrate, depending on the salt concentration. Rough photosensitive hydrophobic substrate further creates a bubble-assisted light strategy, by which a cylindrical shell-like crystal skeleton with a directionally controllable cavity is achieved. Amazingly, the proper additive endows droplet evaporative crystallization to form a closed crystal skeleton with the solution wrapped inside. The present study provides new ideas for designing a novel optical droplet microfluidic platform for controlling crystal morphology.
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http://dx.doi.org/10.1021/acs.jpclett.2c01698DOI Listing
June 2022

A Reparametrized CNN Model to Distinguish Alzheimer's Disease Applying Multiple Morphological Metrics and Deep Semantic Features From Structural MRI.

Front Aging Neurosci 2022 26;14:856391. Epub 2022 May 26.

Beijing Key Laboratory of Fundamental Research on Biomechanics in Clinical Application, School of Biomedical Engineering, Capital Medical University, Beijing, China.

It is of potential clinical value to improve the accuracy of Alzheimer's disease (AD) recognition using structural MRI. We proposed a reparametrized convolutional neural network (Re-CNN) to discriminate AD from NC by applying morphological metrics and deep semantic features. The deep semantic features were extracted through Re-CNN on structural MRI. Considering the high redundancy in deep semantic features, we constrained the similarity of the features and retained the most distinguishing features utilizing the reparametrized module. The Re-CNN model was trained in an end-to-end manner on structural MRI from the ADNI dataset and tested on structural MRI from the AIBL dataset. Our proposed model achieves better performance over some existing structural MRI-based AD recognition models. The experimental results show that morphological metrics along with the constrained deep semantic features can relatively improve AD recognition performance. Our code is available at: https://github.com/czp19940707/Re-CNN.
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http://dx.doi.org/10.3389/fnagi.2022.856391DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9204294PMC
May 2022

Extraction of Treatment Information From Electronic Health Records and Evaluation of Testosterone Recovery in Patients With Prostate Cancer.

JCO Clin Cancer Inform 2022 06;6:e2200010

Mount Sinai Health System, New York, NY.

Purpose: Data quality and standardization remain a challenge when analyzing real-world clinical data. We built a clinical research database, using machine learning and natural learning processing, and investigated factors influencing testosterone recovery (T-recovery) in patients with localized prostate cancer (LPC) after initial androgen deprivation therapy (ADT).

Methods: Medication and treatment-associated dates missing in structured tables were extracted from patient notes using ConceptMapper, an automated data extraction tool, standardized and curated in Sema4 clinical research database. ADT usage duration was evaluated, and T-recovery in patients with LPC was analyzed by the Kaplan-Meier method and multivariable Cox proportional hazards models. We assessed the prognostic value of post-ADT T-recovery with prostate-specific antigen progression-free survival and failure-free survival.

Results: In total, 4,125 of 30,832 (13.4%) patients with prostate cancer had medication exclusively from notes with high precision and recall, F1 score ≥ 0.95. Association of dates with medication usage had a F1 score of 0.76. ADT duration estimation had higher accuracy combining information from notes to tables from electronic medical record (70% 45%). Baseline testosterone was the strongest predictor of T-recovery in these patients. Patients with a baseline testosterone ≥ 300 ng/dL recovered in 9.79 versus 38 months for patients with baseline testosterone < 300 ng/dL ( < .0001). Shorter prostate-specific antigen progression-free interval was observed for patients with T-recovery (≥ 300 ng/dL) at 6 months after ADT cessation compared with patients without T-recovery (< 300 ng/dL; 13.7 25.1 months; = .055).

Conclusion: We augmented structured electronic medical record data with data extracted from notes and improved the accuracy of medication information for patients. ADT exposure and T-recovery in patients with LPC produced results consistent with the literature and clinical experience and illustrates the power of applying machine learning methods to enhance the quality of real-world evidence in answering clinically relevant questions.
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http://dx.doi.org/10.1200/CCI.22.00010DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9225507PMC
June 2022

The complete chloroplast genome of , Linnaeus 1759 (Rubiaceae).

Mitochondrial DNA B Resour 2022 26;7(5):892-893. Epub 2022 May 26.

Guangxi Key Laboratory of Agricultural Resources Chemistry and Biotechnology, Yulin Normal University, Yulin, China.

is a typical traditional medicinal plant. Herein, we acquired and characterized the complete chloroplast (cp) genome sequence of to provide genomic resources for conservation genetics and phylogenetic studies of . The cp genome of is 154,652 bp in length and consists of a large single-copy (LSC) region with 85,106 bp, a small single-copy (SSC) region with 17,960 bp, and two inverted repeat regions (IRs) with 25,793 bp. The cp genome of comprises 127 genes, including 82 protein-coding genes, 37 tRNA genes, and eight rRNA genes. The phylogenetic result confirmed that was closely related to within the Rubiaceae.
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http://dx.doi.org/10.1080/23802359.2022.2077669DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9176369PMC
May 2022

Reduced sensitivity of lager brewing yeast to premature yeast flocculation via adaptive evolution.

Food Microbiol 2022 Sep 31;106:104032. Epub 2022 Mar 31.

VTT Technical Research Centre of Finland, Tietotie 2, P.O. Box 1000, FI-02044, VTT, Espoo, Finland. Electronic address:

Malt-induced premature yeast flocculation (PYF) is a sporadic problem within the brewing industry. The use of PYF malts is concomitant with a number of negative impacts on beer quality, including incomplete fermentation and/or flavor defects. Although malt-induced PYF is widely acknowledged, actions taken so far have proved insufficient to solve the PYF-related issues. To limit the detrimental effects of PYF malts on beer production, an adaptive laboratory evolution (ALE) process was applied in this study to an industrial lager brewing yeast strain (TT02), in an attempt to generate variant strains with improved fermentation performance in PYF wort. Through a batch fermentation-based adaptation process, evolved variants were isolated and screened for their phenotypic and metabolic traits. The investigation focused mainly on the tendency to remain in suspension, fermentation capacity and final acetaldehyde concentration. We successfully obtained a variant (TT02-30 T) with improved fermentation properties. The improvement was seen in worts prepared from different types of PYF malt as well as normal malt. Furthermore, ALE of lager brewing yeast in PYF wort yielded a wide array of mutations. Several changes in the genomes (copy number variation in flocculin encoding gene FLO1 and a missense SNP in a putative mitochondrial membrane protein coding gene FMP10) of the variant strains relative to the original strain were observed. These could potentially contribute to the improved yeast suspension during fermentation. Importantly, mutational enrichment in genes related to ion binding in PYF-evolved strains suggests the involvement of the yeast ion transportation process in dealing with the PYF stress. Our study demonstrates the possibility of attenuating yeast sensitivity to PYF malts over time through adaptive laboratory evolution via spontaneous mutation.
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http://dx.doi.org/10.1016/j.fm.2022.104032DOI Listing
September 2022

Effect of Heat Stress on Egg Production, Steroid Hormone Synthesis, and Related Gene Expression in Chicken Preovulatory Follicular Granulosa Cells.

Animals (Basel) 2022 Jun 5;12(11). Epub 2022 Jun 5.

Key Laboratory for Crop and Animal Integrated Farming, Ministry of Agriculture and Rural Affairs, Animal Husbandry Institute, Jiangsu Academy of Agricultural Sciences, Nanjing 210014, China.

This study was conducted to elucidate the molecular mechanisms underlying heat stress (HS)-induced abnormal egg-laying in laying hens. Hy-Line brown laying hens were exposed to HS at 32 °C or maintained at 22 °C (control) for 14 days. In addition, granulosa cells (GCs) from preovulatory follicles were subjected to normal (37 °C) or high (41 °C or 43 °C) temperatures in vitro. Proliferation, apoptosis, and steroidogenesis were investigated, and the expression of estrogen and progesterone synthesis-related genes was detected. The results confirmed that laying hens reared under HS had impaired laying performance. HS inhibited proliferation, increased apoptosis, and altered the GC ultrastructure. HS also elevated progesterone secretion by increasing the expression of steroidogenic acute regulatory protein (StAR), cytochrome P450 family 11 subfamily A member 1 (CYP11A1), and 3b-hydroxysteroid dehydrogenase (3β-HSD). In addition, HS inhibited estrogen synthesis in GCs by decreasing the expression of the follicle-stimulating hormone receptor (FSHR) and cytochrome P450 family 19 subfamily A member 1 (CYP19A1). The upregulation of heat shock 70 kDa protein (HSP70) under HS was also observed. Collectively, laying hens exposed to high temperatures experienced damage to follicular GCs and steroidogenesis dysfunction, which reduced their laying performance. This study provides a molecular mechanism for the abnormal laying performance of hens subjected to HS.
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http://dx.doi.org/10.3390/ani12111467DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9179568PMC
June 2022

Effects of Caponization on Growth Performance and Carcass Composition of Yangzhou Ganders.

Animals (Basel) 2022 May 26;12(11). Epub 2022 May 26.

Institute of Animal Science, Jiangsu Academy of Agricultural Sciences, Nanjing 210014, China.

In this study, we determined the effects of caponization on the growth performance and carcass traits of Yangzhou ganders. Fifty sham operated geese (the control group) and 80 caponized geese (the caponized group) were selected at 150 days of age and reared until 240 days of age. At 210 days of age, 30 geese from the caponized group were selected and fed with testosterone propionate (testosterone group). The results showed that caponization lowered testosterone and increased the total cholesterol and triglyceride concentrations in serum, live weights, average 15 day gains, and feed intake. Abdominal fat and intramuscular fat were significantly higher in the caponized geese than in the control at 240 days. Gene expression analysis showed that caponization promoted abdominal fat deposition and intermuscular fat content by upregulating the expression of adipogenic genes in the liver, adipose tissue, and muscle tissue. The high expression of in the hypothalamus, liver, and muscle of caponized geese suggests that caponization may lead to negative feedback regulation and leptin resistance. Changes in the expression of these genes, along with the downregulation of in the breast muscle and in the leg muscles, indicate that caponization increases the live weight mainly by increasing fat deposition rather than muscle growth. These results expand our understanding of the mechanisms of caponization on growth performance and fat deposition in ganders.
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http://dx.doi.org/10.3390/ani12111364DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9179501PMC
May 2022

Differential Effects of Dietary Macronutrients on the Development of Oncogenic KRAS-Mediated Pancreatic Ductal Adenocarcinoma.

Cancers (Basel) 2022 May 31;14(11). Epub 2022 May 31.

Department of Medicine, Stony Brook University, Stony Brook, NY 11794, USA.

KRAS mutations are prevalent in patients with pancreatic ductal adenocarcinoma (PDAC) and are critical to fostering tumor growth in part by aberrantly rewiring glucose, amino acid, and lipid metabolism. Obesity is a modifiable risk factor for pancreatic cancer. Corroborating this epidemiological observation, mice harboring mutant KRAS are highly vulnerable to obesogenic high-fat diet (HFD) challenges leading to the development of PDAC with high penetrance. However, the contributions of other macronutrient diets, such as diets rich in carbohydrates that are regarded as a more direct source to fuel glycolysis for cancer cell survival and proliferation than HFD, to pancreatic tumorigenesis remain unclear. In this study, we compared the differential effects of a high-carbohydrate diet (HCD), an HFD, and a high-protein diet (HPD) in PDAC development using a mouse model expressing an endogenous level of mutant KRAS specifically in pancreatic acinar cells. Our study showed that although with a lower tumorigenic capacity than chronic HFD, chronic HCD promoted acinar-to-ductal metaplasia (ADM) and pancreatic intraepithelial neoplasia (PanIN) lesions with increased inflammation, fibrosis, and cell proliferation compared to the normal diet (ND) in mice. By contrast, chronic HPD showed no significant adverse effects compared to the ND. Furthermore, ablation of pancreatic acinar cell cyclooxygenase 2 () in mice abrogated the adverse effects induced by HCD, suggesting that diet-induced pancreatic inflammation is critical for promoting oncogenic KRAS-mediated neoplasia. These results indicate that diets rich in different macronutrients have differential effects on pancreatic tumorigenesis in which the ensuing inflammation exacerbates the process. Management of macronutrient intake aimed at thwarting inflammation is thus an important preventive strategy for patients harboring oncogenic KRAS.
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http://dx.doi.org/10.3390/cancers14112723DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9179355PMC
May 2022

Promotional Effect of H Pretreatment on the CO PROX Performance of Pt/CoO: A First-Principles-Based Microkinetic Analysis.

ACS Appl Mater Interfaces 2022 Jun 8;14(24):27762-27774. Epub 2022 Jun 8.

State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, P.R. China.

Atomic Pt studded on cobalt oxide is a promising catalyst for CO preferential oxidation (PROX) dependent on its surface treatment. In this work, the CO PROX reaction mechanism on CoO supported single Pt atom is investigated by a comprehensive first-principles based microkinetic analysis. It is found that as synthesized Pt/CoO interface is poisoned by CO in a wide low temperature window, leading to its low reactivity. The CO poisoning effect can be effectively mitigated by a H prereduction treatment, that exposes Co ∼ Co dimer sites for a noncompetitive Langmuir-Hinshelhood mechanism. In addition, surface H atoms assist O dissociation via "twisting" mechanism, avoiding the high barriers associated with direct O dissociation path. Microkinetic analysis reveals that the promotion of H-assisted pathway on H treated sample helps improve the activity and selectivity at low temperatures.
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http://dx.doi.org/10.1021/acsami.2c00775DOI Listing
June 2022

Aberrant neural activity in prefrontal pyramidal neurons lacking TDP-43 precedes neuron loss.

Prog Neurobiol 2022 08 4;215:102297. Epub 2022 Jun 4.

Department of Zoology and Physiology, University of Wyoming, 1000 E University Avenue, Laramie, WY 82071, USA. Electronic address:

Mislocalization of TAR DNA binding protein 43 kDa (TARDBP, or TDP-43) is a principal pathological hallmark identified in cases of neurodegenerative disorders such as amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD). As an RNA binding protein, TDP-43 serves in the nuclear compartment to repress non-conserved cryptic exons to ensure the normal transcriptome. Multiple lines of evidence from animal models and human studies support the view that loss of TDP-43 leads to neuron loss, independent of its cytosolic aggregation. However, the underlying pathogenic pathways driven by the loss-of-function mechanism are still poorly defined. We employed a genetic approach to determine the impact of TDP-43 loss in pyramidal neurons of the prefrontal cortex (PFC). Using a custom-built miniscope imaging system, we performed repetitive in vivo calcium imaging from freely behaving mice for up to 7 months. By comparing calcium activity in PFC pyramidal neurons between TDP-43 depleted and TDP-43 intact mice, we demonstrated remarkably increased numbers of pyramidal neurons exhibiting hyperactive calcium activity after short-term TDP-43 depletion, followed by rapid activity declines prior to neuron loss. Our results suggest aberrant neural activity driven by loss of TDP-43 as the pathogenic pathway at early stage in ALS and FTD.
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http://dx.doi.org/10.1016/j.pneurobio.2022.102297DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9258405PMC
August 2022

Specific characteristics of the microbial community in the groundwater fluctuation zone.

Environ Sci Pollut Res Int 2022 Jun 4. Epub 2022 Jun 4.

School of Environmental Studies, China University of Geosciences, Wuhan, 430074, People's Republic of China.

Groundwater level fluctuation is a common natural phenomenon that causes alternate changes in oxygen, moisture, and biogeochemical processes in sediments. Microbes are sensitive to these environmental changes. Therefore, a specific microbial community is proposed to form in the groundwater fluctuation zone (GFZ). The vertical distributions of microbial abundance, diversity, and functional microbes and genes in sediment profiles were investigated, focusing on the GFZ, using high-throughput 16S rRNA gene sequencing, qPCR, and the Functional Annotation of Prokaryotic Taxa (FAPROTAX) approach. The relationships between chemical variables and microbial community structure were investigated by redundancy analysis (RDA). Results showed that the microbial abundance and microbial community richness and diversity were higher in the sediments of the GFZ. The nitrate reducers prefer to stay just below the groundwater level in the GFZ. The predominant microbes in the GFZ functioned as nitrifiers and Fe-oxidizers. The specific community in the GFZ is mainly related to NO and Fe(III) in the sediment. Consequently, the biochemical processes nitrification and Fe- and Mn-oxidation sequentially happen above the nitrate-reduction zone near the groundwater level in the GFZ. These results provide new knowledge in the biogeochemistry cycle of the GFZ and its disturbance on the vertical distribution and transport of biogenic elements and contaminants.
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http://dx.doi.org/10.1007/s11356-022-21166-1DOI Listing
June 2022

Requirement of hippocampal DG nNOS-CAPON dissociation for the anxiolytic and antidepressant effects of fluoxetine.

Theranostics 2022 1;12(8):3656-3675. Epub 2022 May 1.

Key Laboratory of Developmental Genes and Human Diseases, MOE, Department of Histology and Embryology, School of Medicine, Southeast University, Nanjing, Jiangsu 210009, PR China.

Adult hippocampal neurogenesis and synaptic plasticity are necessary for the behavioral response to the selective serotonin reuptake inhibitor (SSRI) fluoxetine, but the molecular mechanisms underlying these effects are only partially understood. Anxiety and depressive-like behaviors in mice were developed by chronic mild stress (CMS) or chronic corticosterone (CORT) treatment. Pharmacological and genetic approaches were used to investigate the role of the neuronal nitric oxide synthase (nNOS)-carboxy-terminal PDZ ligand of nNOS (CAPON) interaction in behavioral and neuroplasticity effects of serotoninergic system. Molecular biological and morphological studies were performed to examine the mechanisms underlying the behavioral effects of nNOS-CAPON interaction that modulated by 5-HT1A receptor (5-HT1AR). Fluoxetine prevented chronic stress-induced nNOS-CAPON upregulation and coupling in the dentate gyrus (DG), and promoting nNOS-CAPON association weakened the anxiolytic and antidepressant effects of fluoxetine in stressed mice. The chronic fluoxetine elevated 5-HT and 5HT1AR agonist 8-OH-DPAT decreased the expression and binding of nNOS with CAPON, whereas 5-HT1AR antagonist NAN-190 had the opposite effects. Importantly, augmenting nNOS-CAPON binding neutralized 8-OH-DPAT-upregulated spine density of DG granule cells and well-characterized synaptic-related proteins, including brain-derived neurotrophic factor (BDNF) and phosphorylation of extracellular signal regulated kinase (ERK), cAMP-response element binding protein (CREB), and synapsin in the DG and abolished the anxiolytic and antidepressant-like effects of 8-OH-DPAT. In contrast, dissociation of nNOS from CAPON rescued the effects of NAN-190 on behavior and neuroplasticity. Taken together, our results indicated that fluoxetine modifies mood behaviors and hippocampal neuroplasticity by disrupting the nNOS-CAPON interaction that links postsynaptic 5-HT1AR activation.
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http://dx.doi.org/10.7150/thno.70370DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9131266PMC
May 2022

Co-embedding oxygen vacancy and copper particles into titanium-based oxides (TiO, BaTiO, and SrTiO) nanoassembly for enhanced CO photoreduction through surface/interface synergy.

J Colloid Interface Sci 2022 Oct 19;624:348-361. Epub 2022 May 19.

School of Chemistry and Environmental Engineering, Wuhan Institute of Technology, Donghu New & High Technology Development Zone, Wuhan 430205, PR China; National & Local Joint Engineering Research Center for Mineral Salt Deep Utilization, Key Laboratory for Palygorskite Science and Applied Technology of Jiangsu Province, Huaiyin Institute of Technology, 1# Meicheng Road, Huaian 223003, PR China. Electronic address:

Photocatalytic CO reduction into valuable fuel and chemical production has been regarded as a prospective strategy for tackling with the issues of the increasing of greenhouse gases and shortage of sustainable energy. A composite photocatalysis system employing a semiconductor enriched with oxygen vacancy and coupled with metallic cocatalyst can facilitate charge separation and transfer electrons. In this work, mesoporous TiO and titanium-based perovskite oxides (BaTiO and SrTiO) nanoparticle assembly incorporated with abundant oxygen vacancy and copper particles have been successfully synthesized for CO photoreduction. As an example, the TiO decorated with different amounts of Cu particles has an impact on photocatalytic CO reduction into CH and CO. Particularly, the optimal TiO/Cu-0.1 exhibits nearly 13.5 times higher CH yield (22.27 μmol g h) than that of pristine TiO (1.65 μmol g h). The as-obtained BaTiO/Cu-0.1 and SrTiO/Cu-0.1 also show enhanced CH yields towards photocatalytic CO reduction compared with pristine ones. Based on the temperature programmed desorption (TPD) and photo/electrochemical measurements, the co-embedding of Cu particles and abundant oxygen vacancy into the titanium-based oxides could promote CO adsorption capacity as well as separation and transfer of photoinduced electron-hole pairs, and finally result in efficient CO photoreduction upon the TiO/Cu, SrTiO/Cu, and BaTiO/Cu composites.
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http://dx.doi.org/10.1016/j.jcis.2022.05.092DOI Listing
October 2022

Discovery of non-squalene triterpenes.

Nature 2022 06 1;606(7913):414-419. Epub 2022 Jun 1.

Department of Urology, Zhongnan Hospital of Wuhan University, School of Pharmaceutical Sciences, Wuhan University, Wuhan, China.

All known triterpenes are generated by triterpene synthases (TrTSs) from squalene or oxidosqualene. This approach is fundamentally different from the biosynthesis of short-chain (C-C) terpenes that are formed from polyisoprenyl diphosphates. In this study, two fungal chimeric class I TrTSs, Talaromyces verruculosus talaropentaene synthase (TvTS) and Macrophomina phaseolina macrophomene synthase (MpMS), were characterized. Both enzymes use dimethylallyl diphosphate and isopentenyl diphosphate or hexaprenyl diphosphate as substrates, representing the first examples, to our knowledge, of non-squalene-dependent triterpene biosynthesis. The cyclization mechanisms of TvTS and MpMS and the absolute configurations of their products were investigated in isotopic labelling experiments. Structural analyses of the terpene cyclase domain of TvTS and full-length MpMS provide detailed insights into their catalytic mechanisms. An AlphaFold2-based screening platform was developed to mine a third TrTS, Colletotrichum gloeosporioides colleterpenol synthase (CgCS). Our findings identify a new enzymatic mechanism for the biosynthesis of triterpenes and enhance understanding of terpene biosynthesis in nature.
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http://dx.doi.org/10.1038/s41586-022-04773-3DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9177416PMC
June 2022
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